00 HSC 6.0 Manual PDF

HSC Chemistry® 6.
0 0 - 1(7)
Antti Roine August 10, 2006 06120-ORC-T
HSC Chemistry® 6.0 User's Guide

Volume 1 / 2
Chemical Reaction and Equilibrium Software
with Extensive Thermochemical Database
and Flowsheet Simulation
Antti Roine 06120-ORC-T
Outokumpu Research Oy
Information Service
P.O. Box 60
FIN - 28101 PORI, FINLAND
Fax: +358 - 2 - 626 - 5310
Tel: +358 - 2 - 626 - 6111
E-mail: hsc@outokumpu.com ISBN-13: 978-952-9507-12-2
www.outokumputechnology.com/hsc ISBN-10: 952-9507-12-7
HSC Chemistry® 6.0 0 - 2(7)

Appendices
Related reports 99079-ORC-T, 97036-ORC-T, 94027-ORC-T

Project number 240910, 249012
Keywords Thermodynamics, Thermochemistry
ISBN 952-9507-12-7

ABSTRACT
HSC Chemistry is designed for various kinds of che mical re actions and e quilibria
calculations. The current version contains fourteen basic calculation modules for single
process units and displayed as options in the HSC main menu:
1. Reaction Equations 8. H, S, C and G Diagrams
2. Heat and Material Balances 9. Phase Stability Diagrams
3. Heat Loss Calculations 10. Mineralogy Iterations
4. Equilibrium Compositions 11. Composition Conversions
5. Electrochemical Equilibria 12. Elements
6. Formula Weights 13. Water (Steam Tables)
7. Eh - pH – Diagrams 14. Units
The new process simulation modules (Sim, Geo, Data and Map) makes possible to
connect the single process units with each others with streams. This makes possible to
simulate the whole chemical process made of several process units, see details from
HSC-Sim manual.
The name of the program is based on the feature that all calculation options automatically
utilize the same extensive the rmoche mical database which contains enthalpy (H),
entropy (S) and heat capacity (C) data for more than 17000 chemical compounds. This
database is equivalent to more than seventeen thick data books.
The objective of HSC is to make conventional thermodynamic calculations fast and easy to
carry out using personal computers. Therefore HSC has a wide range of application
possibilities in scientific education, industry and research. Thermochemical calculations are
useful, for example, when de ve loping ne w che mical proce sse s and improving old
one s. HSC Chemistry is also a useful tool for universities and schools in chemical
practicals and studies.
Traditionally, thermodynamic calculations based on experimental or assessed data have

utilized stability functions in various thermodynamic data books and papers in scientific
journals. The difficult searching stage and complicated calculations, as well as
inconsistencies arising from different selections of standard and reference states, have
made this calculation procedure quite time-consuming.
HSC Chemistry offers powerful calculation methods for studying the effects of different
variables on the chemical system at equilibrium. For example, if the user gives the raw
materials, amounts and other conditions of almost any chemical process, the program will
give the amounts of the product as a result. HSC also makes heat and material balance
calculations of different processes much more easily than any manual method. The
Eh-pH-diagrams option of HSC also offers a very fast way of studying the dissolution and
corrosion behavior of different materials.
Of course, HSC does not solve all chemical problems, because it does not take into
account the kinetics (rates) of the chemical reactions and non-ideality of solutions.
However, in many cases it is a very inexpensive and useful tool which helps to find the
optimum reaction conditions and yields for experimental investigations without expensive
trial-and-error chemistry.


CONTENTS
ABSTRACT
1. COPYRIGHT NOTICE AND WARRANTY 1-1
2. TECHNICAL SUPPORT 2-1
3. ERRORS AND BUGS 3-1
4. LICENSE AGREEMENT FOR END USER OF HSC CHEMISTRY® 4-1
4.1 The Licence 4-1
4.2 Use of HSC Chemistry Modules and Databases Separately 4-1
4.3 Copyright 4-1
4.4 Copying 4-2
4.5 Transfer of the License 4-2
4.6 Warranty 4-2
4.7 Liability 4-2
4.8 Registration 4-3
4.9 Technical Support 4-3
4.10 Applicable Law and Arbitration 4-3
4.11 Millenium (Y2K) Compliance 4-3
5. REGISTRATION CARD 5-1
6. WHAT'S NEW IN HSC CHEMISTRY 5.0 6-1
6.1 Updated heat and mass balance module 6-1
6.2 New HSC AddIn funtions for Excel 2000 6-2
6.3 New Drawing Toolbar 6-3
6.4 New Diagram Options 6-4
6.5 Larger Database with new Options 6-6
6.6 Improved Equilibrium Module 6-7
6.7 New Heat Loss Module 6-10
6.8 New Steam Calculator Module 6-14
6.9 New Help Routine 6-16
6.10 Other Improvements 6-16
6.11 New Windows Me, 2000 and XP Compatibility 6-17
6.12 What’s New in HSC Chemistry 4.0 6-18
7. INSTALLATION TO HARD DISK 7-1
7.1 System Requirements 7-1
7.2 Installation 7-1
7.3 Important Notes 7-1
7.4 Installation and Operation Problems 7-3
7.5 Removing HSC from Computer (Uninstallation) 7-3
8. INTRODUCTION 8-1
8.1 Invitation to new Authors 8-2
8.2 Physical Background of H, S, C and G 8-3
9. OPERATING INSTRUCTIONS 9-1
9.1 Starting HSC 9-1
9.2 Main Menu of HSC 9-1
9.3 Printer Settings 9-3
9.4 Using the Help Button 9-4
10. REACTION EQUATIONS 10-1
10.1 One Chemical Substance 10-1
10.2 One Chemical Substance Results 10-4
10.3 Reaction Equations 10-5
10.4 Reaction Equations Results 10-12
11. HEAT AND MASS BALANCE 11-1
11.1 Basic Calculation Procedure 11-2
11.2 Formatting the Worksheet 11-5
11.3 Specification of Substance Groups (Streams) 11-5
11.4 Formulae in the Cells 11-8
11.5 Elemental Compositions 11-10

11.6 Additional Sheets 11-12
11.7 Target Dialog 11-13
11.8 Graphics 11-15
11.9 Multiple balance areas 11-18
11.10 General Considerations 11-24
11.11 Heat Balance Examples 11-26
12. HEAT LOSS 12-1
12.2 Heat Loss Examples 12-5
12.2.1 Examples provided by HSC 12-5
12.2.2 Simple Step-by-step Example (creating smeltingl.HTR) 12-8
12.3 Detailed Description of the Program 12-11
12.3.1 Using the Fix Value Button and the logic behing it 12-11
12.3.2 Main Window 12-12
12.3.3 Conduction Database 12-14
12.3.4 Convection Database, Table sheet 12-16
12.3.5 Convection Database, Function sheet 12-17
12.3.6 Surface Radiation Database 12-18
12.3.7 Gas Mixture Radiation Calculator 12-19
12.3.8 Practicle Radiation Calculator 12-20
12.3.9 Target Calculations (Target Dialog) 12-21
12.3.10 User-specified diagrams (Diagram Dialog) 12-22
12.3.11 Limitations 12-24
12.4 Basic Theory behind Heat Transfer 12-26
12.4.1 Conduction 12-25
12.4.2 Convection 12-30
12.4.3 Radiation 12-39
13. EQUILIBRIUM MODULE 13-1
13.1 Starting from defining the Elements 13-3
13.2 Giving Input Data for Equilibrium Calculations 13-6
13.3 Aqueous Equilibria 13-14
13.4 General Considerations 13-16
13.5 Limitations 13-19
13.6 Calculation Routines 13-20
13.6.1 GIBBS Equilibrium Solver 13-20
13.6.2 SOLGASMIX Equilibrium Solver 13-21
13.7 Drawing Equilibrium Diagrams 13-23
13.7.1 Selecting Data Type for the X- and Y-axis 13-26
13.7.2 Result Graphics (Equilibrium Diagram) 13-27
13.7.3 Equilibrium Diagram Table 13-31
13.8 Non-ideal mixture: GaAs Example with Activity formulae 13-32
13.9 CaCO3 Example (Aqueous solution exists) 13-34
13.10 Vapor Pressures 13-38
14. HSC EQUILIBRIUM MODULE SAMPLES 14-1
15. CELL EQUILIBRIA 15-1
15.1 Cell Module 15-3
16. FORMULA WEIGHTS 16-1
17. Eh - pH - DIAGRAMS (Pourbaix-diagrams) 17-1
17.1 Introduction 17-1
17.2 Chemical System Specifications 17-4
17.3 Eh - pH - Diagram Menu 17-6
17.4 Normal Eh-pH-Diagrams 17-9
17.5 Specifications for Combined Diagrams 17-14
17.6 Combined Eh-pH-Diagrams 17-18
17.7 Calculation Results of Combined Diagrams 17-21
17.8 Eh - pH - Diagrams in Practice 17-21
18. Ep-pH-Samples 18-1

19. H, S, C AND G DIAGRAMS 19-1
20. DIAGRAM GRAPHICS 20-1
20.1 Graphical Objects 20-1
20.2 Formatting the Diagram 20-5
20.3 Editing and Combining Diagrams 20-11
21. PHASE STABILITY DIAGRAM 21-1
21.1 Tpp Diagram Module 21-2
21.2 Tpp Diagrams 21-4
21.3 Lpp Diagram Module 21-5
21.4 Lpp Diagram Menu 21-7
21.5 Lpp Module Diagram 21-8
22. MINERALOGY ITERATIONS 22-1
23. COMPOSITION CONVERSIONS 23-1
24. ELEMENTS MODULE 24-1
25. WATER 25-1
25.2 Calculation examples 25-5
25.2.1 Ice melting at high pressure 25-5
25.2.2 Evaporation process in a heat recovery boiler 25-7
25.2.3 Steam turbine process 25-8
25.3 Detailed Description 25-9
25.3.1 Pressure correction in the database 25-9
25.3.2 Basic theory 25-12
25.4 Limitations 25-13
26. UNITS MODULE 26-1
27. EXCEL ADD-IN FUNCTIONS 27-1
27.1 Getting started 27-1
27.2 Opening and moving files that use HSC 5.0 functions 27-1
27.3 Brief description of the functions 27-3
27.4 More about registering DLL-files 27-6
27.5 Unactivation of Excel Add-In Functions 27-6
28. HSC - DATABASES 28-1
28.1 Database Menu 28-1
28.2 Notations and Abbreviations used in the Database 28-2
28.2.1 HSC Formula Syntax 28-4
28.3 Reference States 28-7
28.4 Aqueous Ions 28-7
28.5 Search Option 28-9
28.6 Finding Species with the same Stoichiometry 28-11
28.7 Listing Species Names 28-13
28.8 Listing Species Formulae 28-14
28.9 Listing Species Data in the Own and Main Database 28-16
28.10 Editing Data in Own and Main Database 28-18
28.11 Saving Data in Own Database 28-20
28.12 Fitting Cp Data 28-26
28.13 Converting Cp Functions 28-27
28.14 Converting Thermochemical Data to H, S and Cp format. 28-29
28.15 Convert Database File Format 28-31
28.16 Converting old HSC 2.0 Databases to HSC 4.0 Format 28-34
28.17 Selecting Active Databases 28-35
28.18 Color Codes 28-36
29. HSC FORMULA SYNTAX FOR HYDROCARBON SPECIES 29-1
29.1 Basic hydrocarbons, CxHy 29-1
29.1.1 Appendage groups 29-2
29.1.2 Aromatic compounds 29-2
29.2 Halogen compounds 29-2
29.3 Hydrocarbons containing nitrogen 29-3

29.3.1 Amines, R-NH3, R1-NH-R2, R1, R2-N-R3 29-3
29.3.2 Amino acids 29-3
29.3.3 Hydrazines, R-NH-NH3 29-3
29.3.4 Amines, R-C=0 -NH2 29-4
29.3.5 Nitriles, R=N 29-4
29.3.6 Nitro-compounds, nittrates, R-NO2 29-4
29.4 Hydrocarbons containing oxygen 29-4
29.4.1 Ethers, R1-O-R2 29-4
29.4.2 Aldehydes, R-C=0-H 29-5
29.4.3 Ketones, R1-C=O-R2 29-5
29.4.4 Esters 29-5
29.4.5 Alcohols and carbohydrates 29-5
29.4.6 Phenols 29-6
29.4.7 Acids 29-6
29.5 Hydrocarbons containig sulfide 29-7
29.5.1 Thiols, R-SH 29-7
29.5.2 Sulfides, thia-compounds, R1-S-R2 29-7
29.5.3 Disulfides, dithia-compounds, R1-S-S-R2 29-7
29.5.4 Sulfoxides 29-7
29.5.5 Sulfones 29-7
29.6 Reference 29-7
30. ACKNOWLEDGMENTS 30-1
31. THERMOCHEMICAL DATA SOURCES 31-1
32. REFERENCES 32-1
33. DATA REFERENCES 33-1
34. SPECIES 34-1
35. HSC DLL TOOLS 35-1
35.1 Getting Started 35-1
35.2 Example Files 35-1
35.3 Description of available Subroutines 35-4
40. HSC-SIM USER'S GUIDE 40-1

41 SIM FLOWSHEET EXAMPLE 41-1
50. DATA FIT MODULE 50-1
54. HSC-MAP MANUAL 54-1
55 MAP BASICS 55-1
56. SIM FLOWSHEET WIZARDS 56-1
57. MINERAL BASED MODELS 57-1
58 HSC GEO 58-1
HSC Chemistry® 6.0 1-1
1. COPYRIGHT NOTICE AND WARRANTY

HSC Chemistry and this documentation are copyright with all rights reserved by
Outokumpu Research Oy. For your conve nie nce , HSC Che mistry is not
copy-prote cte d. However, all parts of this software are licensed only to you, the
registered licensee, and can be used for your own internal use.
MS-Windows & MS-Excel are registered trademarks of Microsoft Corporation, Lotus 123
is a registered trademark of Lotus Development Corporation, IBM PC & XT & AT &
PS/2 are registered trademarks of International Business Machines Corporation. This
product contains Actuate® Formula One ®, Copyright © 1993-2001 Actuate Corporation.
All rights reserved.
HSC Chemistry. Copyright © 1974 – 2006 Outokumpu Research Oy. All rights reserved.
Outokumpu Research Oy makes no warrantie s, express or implied, in this User's Guide or

in other parts of HSC Chemistry. Defective HSC CD will, however, be replaced. See
HSC Licence Agreement for the details.
2. TECHNICAL SUPPORT
The price of HSC Chemistry does not include free technical or chemical support or
training or consulting due to limited support resources and the low price of the software.
Free support may be available from Outokumpu Research Oy for certain technical
problems with HSC software operations (for example, installation).
However, a broad spectrum of chemical and metallurgical research services are available
from Outokumpu Research Oy, for details see:
www.outokumpute chnology.com/page s/Page ____7537.aspx
If you want to concentrate on the main issues then you may order a process or a whole
plant from Outokumpu Technology, for details see:
www.outokumpute chnology.com
HSC users may also receive technical support for certain chemical issues. The price and
delivery time of the support depends on the case. Please specify the chemical problem, the
chemical species and phases, as well as the HSC module which you have used.
Outokumpu Research Oy will give you an offer on this basis.
The Licensor is very grateful for all comments, feedback, chemical examples and bug
reports (by email, fax, etc.) because these will help the future development work of the
software.
3. ERRORS AND BUGS

There might be errors in the program and in the HSC-database, in spite of very careful
preparation of the program and database. The original data may also contain errors. The
program extrapolates HSC-data to higher temperatures. If such data is not available, in
some cases this can also lead to significant errors !
Please inform us of any possible bugs or errors:
Outokumpu Re se arch Oy
Information Se rvice
P.O. BOX 60, FIN-28101 PORI, FINLAND
Fax: +358 - 2 - 626 - 5310
E-mail: hsc@outokumpu.com
Detailed bug reports are very valuable when developing program code and databases.
Outokumpu Research Oy makes no warranties, express or implied, in this User's Guide or

in other parts of HSC Chemistry. Defective HSC CD will, however, be replaced. See
HSC Licence Agreement for the details.
4. LICENSE AGREEMENT FOR END USER OF HSC CHEMISTRY®
Lice nse e : Company: ___________________________________________________

Address: ___________________________________________________
Country: ___________________
Lice nsor: Outokumpu Research Oy

Information Service
P.O. Box 60, FIN-28101 PORI, FINLAND
Fax: +358 - 2 - 626 - 5310
Site Lice nse Se r.No.:__________________for ______ compute rs or te rminals.
___________________________ _______________
Satu Mansikka Date
Information Se rvice
By opening the sealed software packages the Licensee agrees to be bound by the terms of
this Agreement. By returning the software packages unopened together with
accompanying items to Outokumpu Research Oy, the Licensee refuses to accept the
terms of this Agreement and will receive a full refund of the purchase price paid by the
Licensor for the HSC Chemistry excluding shipping.
4.1 The License
The Licensor grants the Licensee a non-exclusive license to use a copy of the HSC
Chemistry 6.0 (hereinafter referred to as “HSC Chemistry”) on the number of computers
granted by this license. In a network the number of terminals which have access to HSC
Chemistry, simultaneously or at different times, must be limited to the same. The
computers which has access to HSC Chemistry must be fixed, ie. the HSC license is NOT
a floating license. A non-exclusive license is also granted with the enclosed printed
documentation.
The Licensee shall use the HSC Chemistry for internal business or research purposes
only. The Licensee shall not permit any third party to use the licensed materials. However,
the Licensee may distribute calculation results and applications created using licensed
materials to third parties.
Note: Separate "Unlimited Licenses for an unlimited number of users" are also available
for different price. These allows unlimited number of users to access HSC within a single
company, site, university or department.
4.2 Use of HSC Chemistry Modules and Databases Separately

The Licensee can use separate parts of the HSC Chemistry (calculation module, database,
etc.) alone in different computers or terminals. However, the Licensee must have the HSC
Chemistry license for each of such computers or terminals which have any programs or

databases taken from the HSC Chemistry.
4.3 Copyright
The copyright and other intellectual property rights of whatever nature in the HSC
Chemistry and this documentation are and shall remain the property of the Licensor.
For your conve nie nce , HSC Che mistry is not copy-prote cte d. However, all parts of
this software are licensed only to you, the registered licensee, and can be used for your
own internal use. MS-Windows & MS-Excel are registered trademarks of Microsoft
Corporation, Lotus 123 is a registered trademark of Lotus Development Corporation, IBM
PC & XT & AT & PS/2 are registered trademarks of International Business Machines
Corporation.
Copyright 1974, 1981, 1987, 1988, 1989, 1992, 1993, 1994, 1997, 1999, 2002, 2006
4.4 Copying
The Licensee is only allowed to make one backup copy of the original HSC Chemistry CD
for archival and security purposes. All other copying of the licensed material, partly or in
its entirety, is forbidden unless prior written consent is given by the Licensor.
4.5 Transfer of the License

The Licensee may transfer this License to a third party only if written approval of the
terms of this License, signed by duly authorized representatives of the third party, is
delivered in advance to the Licensor. Through transfer of the License all rights based on
this Agreement of the Licensee cease.
4.6 HSC Upgrades

The HSC upgrade replaces the old HSC license. The Licensee may use the old HSC
version only on the same computer or terminal where the new HSC is located. The old
HSC license is not permitted to install onto another computer.
4.7 Warranty
The Licensor warrants to the Licensee that the HSC CD will be free from defects in
material under normal use. The Licensor will replace defective CD if requested by the
Licensee within a period of thirty (30) days from the delivery. This warranty is in lieu of all
other warranties, express or implied, which might otherwise arise with respect to the HSC
Chemistry. This warranty applies to the CD only and does not cover the software
programs or database which are included with the HSC Chemistry. All such software
programs, database and application examples are provided “as is” and without warranty of
any kind.
The HSC Chemistry results have been compared with manual calculations and with other
calculation programs, all giving similar results. However, the Licensor does not guarantee
the performance of the program or results that may be obtained by using the HSC
Chemistry. Despite careful preparation, the program, HSC database and original data may

contain errors and “bugs”. Sometimes HSC data extrapolation to higher temperatures can
also lead to significant errors. The Licensee shall inform the Licensor of any bugs and
errors discover.
4.8 Liability
Notwithstanding anything else contained in this Agreement, the Licensor shall not be liable
to the Licensee for loss of profits or contracts or other indirect or consequential loss or
damage arising from whatever reason. Under no circumstances shall the Licensor be liable
for any damages in excess of the purchase price. The Licensor does not take responsibility
for incorrect usage of the HSC Chemistry.
4.9 Registration
Registration will ensure that the Licensee gets information on any updates immediately
they become available. Registration can be made by sending the enclosed Registration
Card to the Licensor.
4.10 Technical Support

The price of HSC Chemistry does not include technical or chemical support or consulting
due to limited support resources and low price of the software. Support may be given for
certain technical problems with the software (for example, installation). However, the
Licensor is very grateful for all the comments, feedback, bug reports (email, faxes, etc)
because these will help the future development work of the software.
4.11 Applicable Law and Arbitration

This Agreement shall be governed by and construed in accordance with Finnish Law.
Disputes arising from this Agreement are to be settled by arbitration by a sole arbitrator.
The arbitrator shall be appointed by the Board of Arbitration of the Central Chamber of
Commerce of Finland and the rules of the said board are to be observed in the arbitration
procedure.
4.12 Millennium (Y2K) Compliance

HSC Chemistry is a typical 32-bit Windows program which works under Windows 95, 98,
Me, NT and 2000. HSC Chemistry software carries out different kinds of thermochemical
calculations utilizing an integrated thermochemical database. HSC does not use any dates
or time units in these calculations or database operations.
HSC Chemistry and all calculation modules have been tested by setting the personal
computer date to the year 2000 as well as to the years after 2000, and no problems were
detected in these tests. We have used some third party tools (Microsoft, etc.) for
developing HSC Chemistry 6.0. However, these tools do not use dates in HSC Chemistry
6.0.
This Millennium Compliance note does not in any way change the other terms of this HSC
Licence Agreement. The user must accept all the terms of the HSC Licence Agreement
before using HSC Chemistry.
5. REGISTRATION CARD
Please return a copy of this Registration Card in order to ensure your entry on the HSC
Chemistry Licensee Register. In this way you will automatically receive information on
HSC upgrades.
HSC Chemistry Serial Number _________________________________
Site License for ______ computers or terminals
Name _____________________________________________________
Title _____________________________________________________
Company _____________________________________________________
Site / Department _______________________________________________
Street _____________________________________________________
Town _____________________________________________________
Country _____________________________________________________
__________________________ _______________________________
Tel Fax
________________________________ @ ___________________________
E-mail
My computer ________________________________________________
I have read and accept the terms of License for HSC Chemistry.
Signature _________________________________ Date _________
Please return to:

Information Service
P.O. Box 60
FIN-28101 PORI
FINLAND
Fax: +358 - 2 - 626 - 5310
or use the Internet: http://www.outokumpu.com/hsc/re giste r.htm

6. WHAT'S NEW IN HSC CHEMISTRY 5.0
The new HSC version 5 contains several new calculation routines, new properties and a
larger database with updated data. The familiar HSC style user interface and file formats
have been maintained in order to minimize the training requirements for current HSC
users. The new features can be summarized as follows:
6.1 Updated Heat and Mass Balance Module

- HSC version 4 calculated only one balance area at a time. With the new HSC 5
up to 127 balances may be calculated simultaneously.
- Balance areas may be connected with each other using cell references or built-in
element amount functions.
- Temperatures may be used as variables.
- Target routine is also available in Diagram option.
- New stream elemental composition calculator.
- Graphical objects may be added to sheets.
- Link to the new Steam enthalpy calculator (0.01 - 1000 bar).
- Link to the new Heat Loss routine.
- Many small improvements such as iteration routine fixes.
6.2 New HSC AddIn Functions for Excel 2000

HSC Excel AddIn makes native HSC functions and databases available directly
within a normal Excel spreadsheet. Highly specialized applications may be created
with these new Excel AddIn functions.
These functions work like normal Excel functions such as the SUM function. For
example, H("Fe O";500) function returns the enthalpy of FeO at 500 Kelvin. An
other example is WTP("Na";"Na2SO4") function which returns the weight percent
of sodium in sodium sulphate.
Up to 45 different HSC functions are available in Excel which automatically reads
the HSC database.
6.3 New Drawing Toolbar

The new Drawing Toolbar may be used to draw basic graphical objects (lines,
arrows, rectangles, ellipses) in HSC diagrams. These shapes may be used, for
example, to illustrate experimental conditions. Versatile formatting options may be
used to edit lines or add fill colour, line widths and styles.
Drawing Objects may be created and edited with the mouse or using the Object
Editor, which enables very exact editing with numerical values. Drawing Objects
may be fixed so that they can be used in all diagrams or they may be saved for later
use in files.
6.4 New Diagram Options

- HSC 4 was able to save diagrams using only one WMF format. Now more than
30 file formats are available, such as JPG, BMP, etc.
- Diagrams may also be edited using the new HSC Image Editor.
- Several diagrams may be combined with the new HSC Image Combiner if the
same X- and Y-scales have been used.
- There is a new Diagram Grid format option as well as some new formatting
options for diagram curves.

6.5 Larger Database with new Options

- The number of species in the database has been increased from 15000 to more
than 17000. The quality of the database has been improved and the temperature
ranges of the available data have also been expanded; more than 5000 changes
have been made.
- New water data at pressures from 0.01 - 1000 bar are now available.
- Limitation of 2000 species has been removed from the Search routine.
- New Search mode has been added (All elements must exist).
- New fast Table and Diagram routines have been added to Database Editor.
- Several other small improvements have also been made.
6.6 Improved Equilibrium Module

- Calculation reliability has been improved in many of the test cases.
- New database search options without the limit of 2000 species.
- New Species Name display added to the database search routine.
- New Warnings routine for temperature range extrapolation.
- Small fixes e.g. species name length increased from 20 to 24 characters.


HSC Chemistry® 6.0 6 - 10
6.7 New Heat Loss Module

The new Heat Loss module may be used, for example, to estimate heat loss values
needed in the Balance module. The user must first specify the wall layers, layer
materials and thickness of these layers. Two basic types of calculations may be
carried out:
1 Te mpe rature profile with fixed heat loss and one temperature point.
2 He at Loss with two fixed temperature points will return the heat loss but also the
temperature profile.
The calculation routine handles conduction, convection and radiation properties as
functions of temperature, but fixed values may also be used by selecting the value
and pressing the Fix Value button. These fixed values are shown in red on the
calculation sheet.
Temperature profile as well as some other user specified values may also be
presented in graphical form. The Target Dialog may be used to find, for example,
minimum layer thickness. The calculation specifications may be saved to files for
later use.
The Heat Loss module is integrated with three databases and two calculators:
- Conduction database with 718 substances
- Convection database with 111 substances and 4 functions
- Radiation database with 61 surface materials
- Gas Radiation Calculator with H2O, CO2, CO, NO, SO2 and CH4 data
- Particle Radiation Calculator.
The user may edit or add new data to these databases.


6.8 New Steam Calculator Module

The new Steam Calculator module offers a much more convenient way to estimate
enthalpies, entropies and densities of steam, water and ice than the traditional Steam
Tables and Mollier Diagrams within 4 - 2273 K and 0.01 - 1000 bar. Steam
enthalpies may be needed, for example, when calculating the heat and material
balances of boilers or turbines.

6.9 New Help Routine

The new Help routine contains all the information, graphics and formulae of the HSC
printed manual with convenient search, print, edit and save options.
6.10 Other Improvements

- The new folder structure divides HSC files into logical groups.
- HSC tables now also have Excel 97 and 2000 file support.
- The length of formulas has been increased from 20 to 24 characters in the EpH
module.
- Form resize properties have been improved.
- Many small bug fixes and cosmetic adjustments etc.
6.11 New Windows Me, 2000 and XP Compatibility

- New installation routine.

- New compiler and programming tool versions used.
- HSC 5.0 is compatible with Windows 95, 98, NT, Me, 2000 and XP.
6.12 What's New in HSC 5.1 vs. 5.0

1. Database fixes:
- HSC now finds all the F- and Zr- containing species.
- Database Editor bug which sometimes created empty records to Own
Database has been fixed.
- Al(NO3)3(a) -> Al(NO3)3(ia)
- AlF(+2a), AlF2(+a), AlF3(a) added
- AmSO4(-a) -> Am(SO4)2(-a) (Typo in HSC database)
- BF4Na S -34.728 replaced with NaBF4 S 34.728 cal/mol*K
- (Co(NH3)5H2O)Cl3 -> Co(NH3)5*H2O*Cl3 (Duplicate)
- CrS1.333 H 37.3 -> -37.3 kcal/mol (Typo in HSC database, Mills 74)
- Cr2NiO4 replaced with NiO*Cr2O3 (duplicate)
- FeCr2O4 replaced with Cr2FeO4 (duplicate)
- HFe2O(-a) removed (Typo in Slop 98: HFe2O(-a) -> HFeO2(-a)
- H2O Cp constant when T > 600 K
- HO(g): typo in H and S values fixed
- HOI(g) -> HIO: Reliability Class 1 -> 5 (Gas in Pankratz 95 ?). Compare to
HIO(g)(Cor 90, Landolt 01)
- I(-3a) -> I3(-a) (Typo in HSC database, Fabricius 94)
- K3AlCl9 -> K3Al2Cl9 (Typo in Karapet 70)
- K3Al2F6 -> K3AlF6 (Typo in Karapet 70)
- MoF2 too stable: Reliability Class 2 -> 5 (Ruzinov 75)
- MoO2(+2a), CH3COO(-a), CH3COOH added
- Na2O melting point -1405K -> 1405 K
- NaAlO2 replaced with Na2O*Al2O3 (duplicate)
- Np(+4a) data NAGRA 91 -> Phillips 88
- Np(OH)3(+a) H 313.983 -> -313.983 kcal/mol (Typo in HSC database)
- Np(H2PO4)(+a) -> Np(H2PO4)2(+a) (Typo in HSC database)
- PbSO4*PbO was removed (Enthalpy value typo in Bard 85)
- (Pt(NH3)4)Cl2 -> Pt(NH3)4Cl2
- (Pt(NH3)4)I2 -> Pt(NH3)4I2
- Pu(+4a) data NAGRA 91 -> Phillips 88
- PuO2(SO4)(-2a) -> PuO2(SO4)2(-2a) (Typo in HSC database)
- SCN(-a) replaced with CNS(-a) (duplicate)
- SrZr(Si2O7) was renamed SrZrSi2O7 (Huntelaar 95)
- UO2(G) -> UO3(G): (Typo in HSC database, Phillips 88)
- UO2.25 replaced with U4O9 (duplicate)
- U3O5 deleted: (Typo in Samsonov 78, data seems to be for U3O8)
- ZrF2 too stable: Reliability Class 1 -> 3 (Barin 77, Glushko 94, Landolt 00)
- Some aqueous (a) species was changed to (ia).
- Some new species
- Small fix in "All must exist" option in Find Elements dialog.
2. Tpp- Module fixes:
- Scale and Print Dialog bug fixed.
- Diagram Area Color Dialog bug fixed.
- Print and Label dialogs with H, S and Cp diagrams.
3. Water-module:
- Fixed: Small changes in Point 1 did not always effect the Phase option.
- More density values at higher pressures and temperatures.

4.Equilibrium Module:
- Species selection dialog: Sort mode bug fixed.
- Automatic addition of N2(g).
- Warning of SGM limitations.
- Gibbs-routine fix: Diagram button may be pressed before the calculations are
ready without crashing application.
- Pic-routine improvement: Enter -key moves forvard after X- and Y-axis
species selection.
- Gibbs- and SGM-routines: Problem with phase transition data below 298.15
K fixed.
5. New "Key Word Find" Option in Database Menu finds, for example, all the
species which contain the Key Word "benzene".
6. "Key Word Find" may also be used from Database Peep routine.
7. Clearer option captions in Database Menu
8. More warning dialogs.
- Peep Database dialog: Warning of high number of print pages
- Element Find Dialog: More Tool Tip Text
- Lpp module: Improved "Triple Point Outside Range" warning.
9. Several small fixes in Help- and Manual- files.
10. Maximum number of records in HSC databases was increased from 32767 to
2147483647 records.
11. "HSC DLL Tools" opens native HSC functions and database for use in Visual
Basic applications and other programming environments.
12. "WNDTLS32.DLL could not be found" error message bug in HSC Help routine
was fixed.
13. Heat and Material Balance Module:
- Stream temperature link refresh bug was fixed.
- "Calculate Recalc" option clears also columns 0 - S.
- Arrow Graphical Object added.
- New "Ideal Gas Density" option.
14. Some other small fixes. For example, HSC main menu flicker n some computers
was fixed.
Many thanks for the feedback reports to all active HSC users.
6.13 What’s New in HSC Chemistry 4.0
The new HSC version 4.0 contains several ne w calculation module s, ne w prope rtie s
and a large r database with a lot of updated data. The familiar HSC style user interface
has been maintained in order to minimize the training requirements of current HSC users.
The new features can be summarized as follows:
1. The number of substances in the database has been increased from 11000 to more
than 15000. A lot of old data has also been updated and extended.
2. Improved graphics, printing and format properties in all modules.
3. Target calculations in the Heat Balance module for automatic iterations.
4. Improved calculation reliability and speed in the Equilibrium module.
5. Eh-pH-diagrams with concentration and temperature lines.
6. A new Tpp-module for stability diagrams with partial pressure and temperature axes.
7. A new Diagram module for H-, S-, Cp-, G-, DH-, DG- T graphics.
8. A new Mineralogy module for fast conversion between mineralogical and elemental
compositions.
9. A new Element module with basic data of elements and graphics.
10. A new Units module with a useful units conversion calculator.
11. A lot of small fixes and tuning of properties based on user feedback.
12. New 32-bit HSC version for Windows 95, 98 and NT.
The following sections will give a idea of these new features in more detail.
Installation
The HSC 4.0 installation routine has been updated and is now compatible with Windows®
95, 98 and NT. However, system requirements are still quite reasonable.
Heat and Material Balances
Several new features have been added to the Heat and Material Balance module:
1. The new Targe t calculation feature can be used to iterate sequential variable
values in order to reach certain target values. For example, the user can set the
zero heat balance as a target and find out the feed amount which satisfies the given
target condition.
2. The graphics fe ature enables the user to draw diagrams of heat balance
calculation sheets. The user may easily select one variable and range for the x-axis
and several others whose values are drawn on the diagram as a function of
x-variable change.
3. The user can easily import additional MS Exce l® she e ts to the module. These
sheets can be used to calculate input data for the INPUT-sheet or process results
of the OUTPUT-sheet. Files can be saved in Excel format for further treatment of
results.
4. Several small improvements and new properties. For example, the user can now

resize the forms without step values. The printing capabilities have been improved,
for example, the final temperature calculation results can also be printed now.
Equilibrium Calculations
Equilibrium Calculations is one of the most used modules in HSC software, therefore a lot
of effort has been spent on improving it. For example:
1. The calculation reliability and speed of Gibbs solver is better than in the previous
version.
2. The processing of Excel type activity formulae has been improved.
3. The species table form can easily be resized.
4. The diagrams can be printed in any size. A greater number of lines can be
visualized simultaneously by increasing the height of the printed diagram.
5. The enthalpy of the reaction can be drawn on the diagram.
6. The maximum number of pure substances in the diagrams has been increased from
99 to 999.
7. This module now makes input-files for ChemSage 2, 3 and 4 versions.
(ChemSage is a registered trademark of GT T -T echnologies)
Formula Weights
The new feature of the formula weight calculator allows the user to specify the amount of
the species in kilograms or moles. This enables the module to calculate the amounts of
elements in addition to the compositions and formula weights.
Tpp Phase Stability Diagrams

This new module allows you to draw phase stability diagrams with temperature as the
x-axis and a selected partial pressure as the y-axis. Diagrams with partial pressures on
both axes can also be drawn. Partial pressures of sulfur, oxygen, sulfur dioxide, carbon
monoxide, etc. can be used depending on the selected system.
These diagrams can be used, for example, to estimate what kinds of phases prevail in the
roasting furnace in different conditions or to evaluate which condensed substances may
become stable when the process gas temperature decreases.
Eh - pH - Diagrams
Eh-pH-diagrams are used to estimate the prevailing species in aqueous solutions as a
function of pH and chemical potential. A completely new option has been added to this
module. The new features can be summarized in the following list:
1. The new routine can be used to combine several diagrams with different
concentrations, temperatures or main elements into a single diagram. The traditional
concentration diagrams are widely used, but more special temperature and main
element diagrams may also give valuable information.
2. The possibility to change the size of printed diagrams is also very useful when there
are several small stability areas in the same diagram.
3. The selection of different electrode potential scales is also a useful new feature,
where Hydrogen, Calomel and Ag/AgCl-scales can be used.
4. Improved calculation reliability.
5. The calculation system specification can easily be modified with the user's own
Gibbs energy data. These modifications can be saved for later use.
H, S, C and G - Diagrams
The new diagram module can be used to draw several different types of thermochemical
diagrams. The same new versatile graphics and printing features are included as in the
other modules. The main features can be summarized as follows:
1. Eight different diagram types can be drawn as a function of temperature:
- H Enthalpy (total)
- H Enthalpy (latent)
- S Entropy
- Cp Heat Capacity
- G Gibbs Energy
- DH
- DS
- DG (Ellingham diagrams)
2. Several species can be selected to the enthalpy diagrams simultaneously to

compare total or latent enthalpies.
3. DG diagrams (Ellingham diagrams), offer a very fast way to compare the relative
stabilities of substances. For example, you can find out which oxide or chloride
compound is the most stable one. This information is useful when comparing the
reduction and oxidation tendencies of different elements.
4. This module can also be used to compare the basic thermochemical data from
different sources, in order to see the differences and select the best data for
subsequent calculations.
Mineralogy Module
Composition conversions between substance (mineralogy) and elemental analyses are
often needed in chemical R&D work. The new Mineralogy module easily converts
mineralogical compositions into elemental compositions.
The conversion of the elemental composition of a substance into a mineralogical one is a

more difficult task, for example, due to small analytical errors. This module offers three
tools for converting elemental analyzes into mineralogical ones:
1. The Solve me thod, which uses matrix-algebra to solve the mineralogy. It is useful
if the given amounts of elements fit the given substances exactly.
2. The Automatic ite rative me thod, which fits the given elements to the given
substances by changing the species contents to achieve the given elemental
compositions.
3. The Manual ite rative me thod, which may be needed especially if the same
element exists in several species.
Elements Module
The thermochemical behavior of species is based on the properties of elements. The
location of the element in the periodic system tells us a lot about its chemical nature. The
new Elements Module offers a fast way to compare the basic properties of elements in
tabular and graphical format.
The database contains data on 56 different properties of elements. As in other HSC

modules, the user is permitted to modify and add new data to this database according to
personal requirements.
Units Module
Traditionally, several types of energy, temperature, mass and volume units have been used
in thermochemical calculations. Therefore, some inconvenient conversions are needed to
compare the results from different sources. The new Units Conversion module is an easy
tool for fast unit conversions in thermochemical as well as other engineering fields. The
specifications of this module can be summarized as follows:
1. Some 90 different quantities and 444 units are available. The user can easily add
his/her own units and coefficients into the conversion calculator database.
2. The Units Module also offers data sheets for chemical constants, particle mesh
sizes, air humidity and water pressure tables. The user can modify these tables
according to personal requirements.
Database
The thermochemical database is an essential part of HSC Chemistry, because the

accuracy of the calculation results of all HSC modules depends on the quality of the basic
data in the integrated database. Considerable development work has been carried out,
which can be summarized as follows:
1. The number of species in the database has been increased from 11000 to more than
15000. This data is not critically evaluated, but gives fast access to data and
references, which can be found from literature.
2. The quality of the database has been improved and the number of unnecessary
duplicate species has been decreased.
3. Further supporting data, such as structural formulae, chemical names, common
names, CAS numbers, melting points, boiling points, etc. have been added to the
database.
4. HSC 4 uses the same database format as HSC 3, therefore, the user's own
databases can also be used with the new HSC 4.0.
5. The search procedure for species in "Database Editor" and "Show Database"
windows has been improved. The species lists now show the location of the closest
match if the given formula is not found in the database.
6. A direct link to the graphics module has been added to the Cp data-fitting option.
This allows the easy comparison of experimental and fitted data.
7. Important Note : The main reason for the small differences with HSC 3 and 4
calculation results is the new data in the HSC 4 database.
General improvements
The graphics, printing and format properties as well as resizing capabilities of the table
forms have been improved in most calculation modules. This makes it easier to produce
high quality hard copies of the results.
Numerous minor improvements and adjustments have been made which are not always
visible. However, they will make the life of the HSC user easier. This work has been
based mainly on feedback from HSC users.
What's New in HSC 6.0 6-1
Outokumpu Research Oy August 28, 2006 06120-ORC-T

Antti Roine
WHAT'S NEW IN HSC CHEMISTRY® 6.0
Fig. 1. HSC Chemistry® 6.0 Main Menu.
The old HSC Chemistry® 5.1 software is made for the simulation and modeling of single
chemical reactions and unit processes. The new HSC Chemistry® 6.0 will expand the
scope of the old HSC 5.1 software to include the simulation and modeling of the whole
process, made up of several unit processes. HSC 6.0 also has many other new features:
• The new Sim module with versatile auxiliary Data, Data-Fit and Geo modules.
• Larger H, S and Cp database with more than 20000 species (HSC 5.1 has 17000
species). Several other fixes has also been made to the database.
• New Excel AddIn interface with better compability with different Excel versions and
different computers.
• New Excel AddIn functions like StreamEQ for equilibrium calculations.
• The printing and copy-paste options of the HSC modules has been improved.
• The compability with Windows XP has been improved with several code changes and a
new installation routine.
• Working demo of the new GPS based Material Map module.
• Many other small bug fixes and new properties.
• The familiar the HSC style, user interface and file formats have been maintained in
order to minimize the training requirements for current HSC users.

Antti Roine
New Sim Module
Fig. 2. HSC-Sim Module user interface with drawing and run mode.
The target has been to develop an easy-to-use simulation tool for many types of basic
applications from chemical processes to economic optimization. HSC-Sim 6.0 has
especially been tested with process metallurgical and mineralogical applications, but it may
also be used in a wide range of other applications.
The HSC-Sim user may start from a single chemical reaction and end up with the final
process model. HSC-Sim is a simple but still powerful simulation tool for the ordinary
process engineer. For the old HSC users with Excel spreadsheet skills it should be easy to
learn to use the new Sim module. HSC-Sim flowsheet process is made of single process
units which are connected with each others with streams. Behind each process unit there
is "a small HSC engine" for thermochemical simulation models.
The Sim module uses two main user interfaces: a graphical flowsheet interface and behind
each process unit a spreadsheet type Model Editor interface. The basic ideas of the Sim
module are quite simple:
1. The process consists of the process units which have been connected to each other
with streams. The flowsheet is saved in one FLS file.
2. Behind each process unit there is a "small HSC engine" made of an Excel emulator with
HSC AddIn functions or other DLL-based tools. Each unit has its own XLS file.
3. The process unit calculation models are independent of each other.
4. The streams on the graphical flowsheet specify the material and data transfer between
the process units (FLS file).
5. There are two modes in the HSC-Sim module: the Designer Mode and Run Mode. The
user draws and edits the flowsheet in the Designer mode. In the Run (calculation) mode the
graphical flowsheet is locked.

Antti Roine
Fig. 3. Some process examples. The Sim module development started some 4.5 years
ago and it has been tested with numerous new and old real process flowsheets. It has
been used internally in Outokumpu Technology more than 2 years already. The flowsheet
samples have been blurred due to confidentiality in this figure.

Antti Roine
Mineral Based Models
Fig. 4. . Global and set-up for each input stream in Mineral Based models.
HSC-Sim has a special set-up and approach for processes where minerals are treated. In the
processes including crushing, grinding, flotation, gravity separation or screening this approach
should be used. Particles with at least A) size (diameter) and B) mineral composition (wt-%)
data can be handled in mineral-based models.
In addition, they may have additional parameters like mineral volume-%, mineral area-% (on the
surface of a particle), whiteness and hardness. Globally, minerals have a certain chemical
composition and specific gravity and therefore HSC calculates these properties for each
particle and also for each stream. Particles can be generated through mineralogical
information. There are two levels of information required, Fig. 4.
The HSC Geo module makes possible to calculate, for example, composition of the sulfide
fraction and volatile-and-sulfide-free composition from chemical analysis of a rock certain
petrochemical indices like CIPW norm. It includes mineralogical database of ca. 5500 minerals
and their chemical compositions.
HSC Geo also contains a versatile tool for modal calculations, i.e. to convert chemical analysis
to mineralogical composition.
HSC Data is a general data processing tool with which you may use for statistical analysis,
xy/ternary/spider diagram drawing, linear modeling and population analysis based on numerical
data in normal Access database.

Antti Roine
New Excel Add-In Functions
Fig. 5. New Stream Functions in AddInSample.xls.
The HSC 6 Excel AddIn functions use the new HSC6.XLL interface instead of the old
HSC5.XLA. This improves the compatibility with different Excel versions and makes
possible easier file exchange within different computers. Several new AddIn functions have
also be added which makes it possible to calculate stream properties, for example, in
simulation models, Fig. 5.
The new StreamEQ function enables the user to carry out equilibrium calculations in MS
Excel, Fig. 6. The new DensityA function makes it possible to calculate the density of
several aqueous solutions, etc.

Antti Roine
Fig. 6. New StreamEQ Function for equilibrium calculations.
Other New Features

The new Data, Data-Fit and Geo modules are useful tools when creating process models
using HSC-Sim. However, these modules may also be used in many other applications. For
example, the HSC-Sim Data-Fit module may be used to convert experimental data points
into functions which can be used in the unit models, Fig. 7.
Fig. 7. New Data-Fit module.

A working demo of the new GPS based Material Map module makes it possible to create
location-based material maps. However, the plants and stocks are different, therefore, some
tailoring and tuning is usually needed. Please ask for a quote for this work from Outokumpu
Research Oy.
The high quality thermochemical H, S and Cp data is needed in many process calculations.
The HSC 6.0 extensive thermochemical database with more than 20000 species is unique
and valuable source for this basic data. This data is automatically used in all HSC
calculation modules but it may also be used in other programs and as a quick reference on
the available data sources.
7. INSTALLATION TO HARD DISK
7.1 System Requirements

Operating system: 32-bit HSC version: Windows 98 (+SE recommended), NT (+SP6), Me
(+Security update + System update), 2000 and XP.
Processor: Pentium 400 MHz or faster
Memory: 256 MB or more
Disk space: 420 MB max (depends on computer)
Monitor: VGA or better
Mouse: Windows compatible
System requirements of HSC are very typical for all Windows programs. For example, a
fast Pentium 4 processor, 1024 MB of memory, fast video graphics card and fast hard disk
improves working efficiency decisively.
Hard disk and HSC-operation speed may be increased with Windows System tools
(ScanDskw.exe and Defrag.exe) and especially with Diskeeper®-software.
7.2 Installation
HSC is installed in the same way as most other Windows programs:
1. Log on to the computer with Administrator privileges.
2. It is not necessary to remove the old HSC 1.0 - 5.1 versions if you want to upgrade
to HSC 6.0. These can still be used if the new 6.0 is installed in a different directory.
However, all old HSC 5.x (beta) versions must be uninstalled before new HSC 6
installation with Windows Control Panel Add/Remove Programs Dialog.
3. Close all othe r Windows programs, but not Windows itself. Note that you must
also close, for example, the MS Office icon bar, because it has loaded some
programs to the memory. Otherwise the HSC installation program can not upgrade
those libraries which are in use. You can press “Ctrl, Alt, Delete” to view and
close all the running programs. Do not, however, close EXPLORER and
SYSTRAY under Windows 98.
4. Inse rt HSC CD in your drive .
5. Select Start Run: from the Menu (or use Add Programs from Control Panel.)
6. Locate SETUP.EXE from HSC CD and pre ss Ente r. Answer questions.
Re start Windows when installation is complete.
If you have problems see the following notes and Chapter 7.4.
Note that the final HSC user must Log on to the computer as Administrator and using
his/her own User Name before running HSC 6.0 installation, however, this depends on
your computer settings and Windows version. The final user must also have installation
privileges when he/she starts HSC at the first time, in order to allow Windows configure
HSC properly to the new user, see Fig. 3. Later on some privilege limitations may be
added. If the Administrator installs HSC using his own User name then the final user must
also have administrator privileges at least on the first time when he/she starts HSC!
Fig. 1. HSC6 - folder Properties dialog of Windows My Computer. HSC user must have
full Permissions to the HSC6 folder because HSC saves INI and other files into this folder.
The HSC user must also have full permissions to the HSC6 folder! You may check to
permissions by clicking HSC6 folder in My Computer with mouse right button and
selecting Properties dialog and Security tab. See Fig. 1.
Fig. 2. Windows Printers and Faxes dialog.

Please verify from the Windows Printers and Faxes Dialog that the De fault Windows
Printe r really exist and operate properly, Fig. 2. If the default printer status is "unable to
connect" and/or "print spooler service is not running" then HSC and Sim modules may run
extremely slowly and tardy. Please check and change default printer properties using right
mouse menu in Printers and Faxes dialog, Fig. 2.
Fig. 3. Windows configures HSC for the new user for the first time when the user
changes. If the new user do not have enough privileges then this configuration process
cannot finish properly. Configuration process may use the file "\Downloaded
Installations\HSC Chemistry 6.00.msi" in the Windows folder for the configuration.
Installation into a ne twork se rve r:

1. Use same procedure as for single computer.
2. Repeat installation procedure for each terminal, which must have access to HSC.
Install HSC every time into the same drive and directory in the network server. This
multiple installation procedure will:
- Copy the HSC.INI file into the Windows directory of each terminal.
- Copy all library files (*.dll, *.ocx, etc.) into the Windows\System directory of each
terminal if necessary.
- Copy all other files into the same HSC directory of the network server if necessary.
Installation of HSC Exce l Add-In Functions
See Chapter 27. Excel Add-In Functions for details.
Installation routine saves into Windows "\Downloaded Installations" folder HSC
Che mistry 6.00.msi file (some 57 MB). Windows may use this file, for example, when
the Windows user changes or when installation needs some repair. Normally it is not
needed.
7.3 Removing HSC from the computer (Uninstallation)

HSC is uninstalled in the same way as most other Windows programs:
1. Select "Tools, Add-Ins ..." in Excel menu.
2. In Add-Ins dialog unselect "HSC 6.0 Functions".
3. Close Excel.
4. Se le ct Add/Re move Programs from Windows Control Pane l.
5. Select HSC Chemistry from the list.
6. Press Add/Remove... button and follow instructions.
You may also delete the following file from the Windows folder:
"\Downloaded Installations\HSC Chemistry 6.00.msi"

7.4 Important Notes

The HSC installation program will put HSC6.INI file in your HSC6 directory and
automatically updates path information of HSC modules. HSC Chemistry updates this file
automatically if you change settings in HSC Chemistry. However, you can also edit this
file by any ASCII editor such as Windows Notepad. When you start HSC, it always reads
this HSC6.INI-file, which gives the default settings to the program.
Picture 1 gives an example of possible HSC6.INI settings. Note that Own and Main
databases can exist in any drive or directory. The order of rows must be the same as in
this example.
[HSC Path]
Server=C:\HSC6\ ' Path of HSC in your computer
Terminal=C:\HSC6\ ' Path of HSC in server
OwnDB=C:\HSC6\DATABASES\OWNDB6.HSC ' Path of Own Database
MainDB=C:\HSC6\DATABASES\MAINDB6.HSC ' Path of Main Database
SolGasMix=C:\HSC6\SGM.EXE ' Path of Solgasmix
UserName=Antti Roine ' HSC Licence: User Name
Organization=Outokumpu Research Oy ' HSC Licence: Organization Name

LicenseNumber=60000 ' HSC Licence: Serial Number
[Table Font] ' Default Table Font

Font=Courier New
Size=10
Bold=-1
Italic=0
[Diagram Font] ' Default Diagram Font

Font=Times New Roman
Size=10
Bold=-1
Italic=0
[Marginal] ' Default Printing Marginals

PaperSize=9
Top=2
Left=2
[Units] ' Default Units

Temperature=C ' Temperature Units
Energy=cal ' Energy Units
Warnings=0 ' Warnings Off/On
Fig. 1. Settings of HSC6.INI file in the Windows directory
If you reinstall HSC in the same directory, do not overwrite your old OwnDB6.HSC file if
you have saved data on it, i.e. copy this file first to some other directory.
Note also that selected fonts and sizes must be available in your printer. However, you can
also change fonts later by pressing the Se ttings button in HSC Main Menu. You can
change the default printer using the Printe rs icon on the Control Pane l.
Sim-module used Sim_FlowSheet1.INI and Sim_FlowSheet2.INI files for saving user
settings. You may recover original settings by deleting these files from the HSC6-folder.
7.5 Installation and Operation Problems (Windows 98 and Me)

If you have proble ms with installation or HSC ope ration:
1. If you are using NT 3.51, then install/run the NT 3.51 Service Pack 5. In Windows NT 4.0 the
“Run in separate memory space” setting in “Properties, Shortcut” selection might be needed.
2. HSC 6.0 operates under 32-bit Windows 98, NT, 2000, Me or XP but not under old 16-bit
Windows 3.11 or 32 bit Win 95. HSC 6.0 has been developed under Windows 2000 and
Windows XP.
3. Close all open programs and delete all *.TMP files from your C:\Windows\Temp directory.
This will give more hard disk space and eliminate some problems.
4. Run Scandisk program with surface scan. If it finds some bad sectors on your hard disk then
you need a new one. The Defrag program will also improve hard disk performance.
Error numbe r: 0x80070725 unde r Windows 98

Description: "Incompatible version of the RPC stub". This error means that some of your
applications has updated Windows system files with wrong versions. For example, Windows XP
Oleaut32.dll is installed to Windows 98 computer. Please download and run the following executable
that is provided by Microsoft:
http://download.microsoft.com/download/msninvestor/Patch/1.0/WIN98/EN-US/mcrepair.EXE
http://support.microsoft.com/default.aspx?scid=KB;EN-US;q321915&
You may found this file also from HSC Chemistry CD from: \Microsoft\Win98\mcrepair.exe
Note that incompatible Windows system files may also cause browsing problems with Internet
Explorer.
“Ge ne ral Prote ction Fault” Error:

Some HP printer drivers may cause a “General Protection Fault” error in HSC graphics routines if
selected as default printer. Such drivers are HP Color Laserjet, HP Laserjet 2B, 5L/M, 6P/MP. If
some of these drivers have been selected as default then the valid program code (for example,
division by zero within error trap) will crash the whole Windows operating system.
Every attemp has been made to avoid this printer driver bug in the new HSC 4, but if it still exists
please select an other driver as default in Windows, for example, PostScript or Laserjet 4 versions.
You can also copy and paste diagrams to Windows Write and print these using a defective printer
driver. You can also ask HP for a fixed printer driver.
"Invalid prope rty value " Error
This problem is usually caused because some screen fonts or font sizes are missing from Windows.
Normally all necessary fonts are installed simultaneously when Windows is installed, but sometimes
not. This problem can occur particularly if some display modes other than VGA are used.
HSC uses non-proportional Fixedsys size 9 font (Windows 3.1) for displaying results; if this font is
not available the user can get the "Invalid property value" error, for example by pressing Help. In
Windows 98 HSC uses non-proportionals System 9 font.
HSC uses proportional MS Sans Serif font (Windows 3.1) in all Menus; if this font is missing from
the used display resolution, then it is possible that not all the text can be seen in the Menu.
To get rid of this problem, please add all necessary fonts and sizes to Windows using the Control
Panel and Fonts icon. From Windows 1 and 2 disks add the following fonts to Windows 3.1:
- Fixedsys set #3, Fixedsys set #6, Fixedsys for the IBM 8514
- MS Sans Serif (for all displays)

Probably not all of these are needed, but install them all just to make sure.
Othe r Error Me ssage s
Please send a short report of any other errors to Outokumpu Research Oy, with a detailed
description to reproduce this error. This will help us to further improve HSC Chemistry.
8. INTRODUCTION
HSC Chemistry is designed for many different kinds of che mical re actions and
e quilibrium calculations. The current version contains 14 calculation options for single
process unit calculations:
1. Reaction Equations
2. Heat and Material Balances
3. Heat Loss Calculations
4. Equilibrium Compositions
5. Electrochemical Cell Equilibria
6. Formula Weights
7. Phase Stability Diagrams (Tpp- and Lpp-versions)
8. Eh - pH – Diagrams with concentration and temperature variables
9. Enthalpy, entropy, heat capacity, Gibbs-energy and Ellingham diagrams.
10. Mineralogy Iterations
11. Composition conversions
12. Water - Steam Tables and Mollier Diagrams
13. Units Conversions
14. Properties of Elements in tabular and graphical format.
The HSC 6.0 contains also new flowsheet simulation module (Sim) for process calculation
of the whole process made of several process units. The new modules (Geo, Data, Map)
support process simulation calculations.
The name of the program is based on the fact that all fourteen calculation options
automatically utilize the same extensive the rmoche mical database which contains
enthalpy (H), entropy (S) and heat capacity (Cp) data for more than 17000 chemical
compounds. This database is equivalent to more than seventeen thick data books.
The HSC Chemistry software enables the user to simulate chemical reactions and
processes on the thermochemical basis. This method does not take into account all the
necessary factors, such as rates of reactions, heat and mass transfer issues, etc. However,
in many cases a pure thermochemical approach may easily give useful and versatile
information for de ve loping ne w che mical proce sse s and improving the old one s.
Perfect simulation for all processes means that any chemical process can be designed
completely in the computer without any experimental work. This goal is, however, far in
the future, because there is no complete general theory or basic data available which
would successfully combine the rmodynamics, non-ide ality of solutions as well as
dynamics (kinetics) for all processes. Nearly perfect simulation may be achieved for a
single individual process step by measuring experimentally all the necessary parameters for
solution models, kinetic models, as well as for flow and heat transfer models. However,
this needs several months or years work to be able to simulate one single process step.
Quite often a fast mainframe computer is needed.
With HSC Chemistry it is possible to calculate chemical equilibria between pure

substances and the ideal and also, to some extent, non-ideal solutions. For these
calculations only enthalpy (H), entropy (S) and heat capacity (Cp) data for all prevailing

compounds or pure substances is needed. In many cases these calculation results may
simulate the real chemical reactions and processes at sufficient accuracy for the practical
applications. Important advantage is also that specification of the chemical system, data
retrieval and final calculations may be carried out in normal Intel Pentium personal
computers within few minutes.
Of course, experimental work is needed to verify the results, because HSC does not take
kinetic phenomena into account. However, HSC helps to avoid expensive trial-and-error
chemistry, because it quickly and easily gives some kind of clue as to the effects of
process parameters on the reaction products and process conditions. Usually,
thermochemical calculations at least show what is physically possible and what is
impossible, which is highly valuable information when making plans for experimental
investigations.
In the thermodynamic equilibrium the rates of reactions and reverse reactions may both be
interpreted to have the same rate, ie. this state is only one special case of kinetic
phenomena. Of course, some programs are available which also take some kinetic aspects
into account. However, these are not general like thermodynamic equilibrium codes are, ie.
they are usually valid only for certain geometries and environments.
A number of solution models are available in literature to describe the non-ideality of

mixture phases. The practical problem is quite often a lack of valid data for solution
parameters. Although solution models have not been installed in the HSC Chemistry, the
non-ideality of solutions can be taken into account in the equilibrium calculations to a
certain extent by including constant activity coefficients or simple activity coefficient
formulae in the Gibbs equilibrium solver.
8.1 Invitation to new Authors
If you have a thermochemical computer program or basic thermodynamic data which may
be of more general interest, please send it to the author:
Antti Roine
P.O. Box 60
FIN-28101 PORI, FINLAND
Fax: +358 - 2 - 626 - 5310
We may also add your code to future versions of HSC Chemistry. Connection to the
HSC-database and fitting the code and user interface to HSC format can be carried out in
Outokumpu Research. Integration is easiest if the original code is written in Visual Basic,
QuickBASIC or BASIC.
The new thermodynamic data which is saved in OwnDB5.HSC database can easily be
transferred to MainDB5.HSC at Outokumpu Research.
8.2 Physical Background of H, S, C and G
Thermochemical calculations are based on enthalpy H, entropy S, heat capacity Cp or

Gibbs energy G values for chemical species. They can all be mathematically derived from
experimental observations. The following presentation gives a brief and simplified but
illustrative idea of the thermochemical quantities and methods.
Enthalpy H: Absolute values of enthalpy H of substances cannot be measured, but

enthalpy differences between two temperatures can be determined with a calorimeter.
Heat capacity Cp at constant pressure (specific heat) can be calculated from this data
using Eq. (1).
Cp = (dH / dT)P,n [1]
Equation (1) allows the calculation of enthalpy as
T
H(T) = H f(298.15)+ ∫ Cp dT + Σ H tr [2]
298.15
where H f(298.15) is the enthalpy of formation at 298.15 K and Htr is the enthalpy of
transformation of the substance. Calorimetric measurements at different temperatures
yield the enthalpy curve of zinc shown in Fig. 2.
The enthalpy scale in Eq. 2 is fixed by defining H = 0 for the e le me nts in the ir most
stable state at 25 °C and 1 bar, mainly because this is convenient for calculations at
elevated temperatures. This is called the reference state. (Another fix point could have
been H = 0 at 0 K, because the thermal motion of atoms and electrons stops completely at
this temperature.)
The ability of a chemical substance to absorb or emit heat depends on the temperature,
and therefore the curve in Fig. 2 is not linear. In addition, at phase transformation
temperatures the curve is discontinuous, because heat is needed for the phase
transformations (ie. for crystal structure changes, as well as for melting and boiling).
The e nthalpy of compounds also contains their enthalpy of formation DHf from
elements. This is usually measured calorimetrically by letting pure constituent elements
react and form the compound at 298.15 K and 1 bar. The enthalpy of the compound is
therefore calculated by adding the enthalpy of formation to the experimental enthalpy
difference H(T)-H(298), see the solid line in Fig. 3.
The enthalpy values of gaseous zinc can be extrapolated to lower temperatures as shown
in Fig. 2 by the dotted line. The reference state for zinc at 25 °C and 1 bar is hexagonal
crystal. The enthalpy of gaseous zinc is 130.415 kJ/mol larger compared to solid pure zinc
at 298.15 K. This amount of heat is needed to evaporate one mole of zinc at 25 °C and 1
bar, and is called the enthalpy of formation of zinc gas from solid zinc.
H, kJ/mol Enthalpy of Zinc Sulfide

160
140 298.15 K gas
120
100
115.311
80
130.415
60
40
liquid
20
solid 7.322
0
0
- 20
0 200 400 600 800 1000 Temperature, K 1400
Fig. 2. Enthalpy of pure zinc from 0 K to 1400 K with reference to solid, hexagonal Zn at 298.15 K.
H, kJ/mol Enthalpy of Zinc Sulfide

100
13.389
50 298.15 K
-50
Enthalpy of Formation =
-100
-201.669 kJ/mol solid, beta
-150 solid, alfa
-200
-250
0 200 400 600 800 1000 1200 K
Temperature, 1400
Fig. 3. Enthalpy of zinc sulfide (⎯⎯). Enthalpy difference H(T)-H(298) (-----) and enthalpy of formation
have been measured by calorimeter. Note crystal structure transformation at 1293 K.
Entropy S: Absolute entropy values can be calculated from the experimental heat capacity values using

Equation (3) and numerical integration.
T
S = S(298.15) + ∫ (Cp / T) dT + Σ H tr / Ttr [3]
298.15
where S(298.15) is the standard entropy of the substance which can be calculated by
integrating Cp/T function from 0 to 298.15 Kelvins, T is temperature and Htr is enthalpy of
phase transformation at a temperature Ttr, see Fig. 4.
Entropies of crystalline substances approach zero at 0 K. This fundamental experimental

observation is compatible with the third law of thermodynamics. If entropy is understood
as a measure of disorder, the disorder reaches its minimum at absolute zero and in perfect
crystal structures.
Heat Capacity Cp: The absolute heat capacity of substances at constant pressure can be
calculated as a first derivative of the enthalpy curve in Fig. 2, using Equation (1). The heat
capacity curve is discontinuous at phase transformation temperatures, see Fig. 5. The heat
capacity values of crystalline substances in equilibrium approaches zero value at 0 K.
The temperature dependence of heat capacity at elevated temperatures cannot be

predicted theoretically by thermodynamics. A fully mathematical correlation is therefore
adopted for fitting experimental heat capacities. The Kelley equation is used throughout
this program in the following form:
Cp = A + B . 10 -3 . T + C . 10 5 . T-2 + D . 10 -6 . T2 [4]
where A, B, C and D are coefficients estimated from experimental data.
Gibbs Energy G: The mutual stability of substances (elements, compounds, ions, etc.)
cannot be compared using enthalpy, entropy or heat capacity functions solely. It must be
done using the Gibbs energy defined by Equation (5). The Gibbs energy of pure zinc has
been calculated using this equation and data in Figs. 2 and 4. The results can be seen in
Fig. 6.
G = H-T.S [5]
Experimental Methods: Many experimental and theoretical methods are available for
evaluating the basic thermochemical enthalpy, entropy and heat capacity data than it is
practical to describe in this context. Usually a critical analysis of the values is based on a
thorough simultaneous cross-correlation of thermochemical data from different sources,
measurement methods (calorimetric, spectroscopic, electromotive force, solubility, etc.)
and theoretical calculations. More information of the assessment methods can be found,
for example, in the references mentioned in Chapters 32 and 33.
S, J/(mol*K) Entropy of
200
180 298.15 K gas
160
140 97.721
120
100 160.415
liquid
80
solid 10.571
60
40
20 41.631
0
0 200 400 600 800 1000 Temperature, K 1400
Fig. 4. Entropy of zinc calculated from the experimental heat capacity, by Eq. (3).
Cp, J/(mol*K) Heat Capacity of

35
liquid
30 298.15 K
solid
mp = 692.7 K bp = 1180 K
25
gas
20
15
25.403
10
0
0 200 400 600 800 1000 Temperature, K 1400
Fig. 5. Heat capacity of zinc from 0 K to 1400 K calculated from calorimetric data, by Eq. (1).
G, kJ/mol Gibbs Energy of

0
-12.412
solid
-20 -33.841
-40 -74.825
liquid
-60
298.15 K
692.7 K
-80
gas
-100 1180 K
-120
0 200 400 600 800 1000 Temperature, K 1400
Fig. 6. Gibbs energy of zinc at 0 - 1400 K calculated from the enthalpy and entropy values using Equation
(5).
Data Format in the HSC Databases: Traditionally, experimental heat capacity values -
see Fig. 5 - have been fitted using the empirical Equation (4). The coefficients A, B, C and
D provided in HSC are valid in limited temperature ranges only. Usually the temperature
ranges are the same as the stability ranges of solid, liquid and gaseous states of the
substances.
The heat capacity coefficients can be saved in the HSC database as data sets for each
temperature range, together with the enthalpy and entropy values for formation and
transformations. The first data set contains the enthalpy of the formation Hf(298.15),
standard entropy S° and the coefficients A, B, C and D for the most stable form of the
substance at room temperature. The second set contains the enthalpy and entropy of
transformation as well as the coefficients for the second temperature range, etc. For
further details, see Chapter 28.11.
Table 1 shows the thermochemical data of zinc as printed from the HSC main database.
The same enthalpy values can be found in Fig. 2, as well as the entropy values in Fig. 4.
The coefficients A, B, C and D have been derived from the experimental heat capacity
values, Fig. 5, using curve fitting and Equation (4), see Chapter 28.12.
Note that the data for gaseous substances as Zn(g) has been saved separately. Such a
selection allows, for example, equilibrium calculations with the gaseous substances also
below their boiling points.
Species State Enthalpy Entropy Heat Capacity Cp Temperature Range

H S A B C D T1 T2
kJ/mol J/(mol*K) J/(mol*K) K K
Zn s 0.000 41.631 20.736 12.510 0.833 0.000 298.150 692.655
Zn l 7.322 10.571 31.380 0.000 0.000 0.000 692.655 1180.000
Zn(g) g 130.415 160.984 20.786 0.000 0.000 0.000 298.150 2000.000
Table 1. Thermochemical data of zinc as printed from the HSC database.
All thermochemical data required in HSC and its modules, including heat capacity,
enthalpy, entropy and Gibbs energy of the substances, can be calculated from the basic
data in its databases using Equations (1)-(11). HSC Chemistry utilizes the equations
automatically whenever needed.
Chemical Reactions: The thermodynamic enthalpy, entropy and Gibbs energy functions
for a chemical reaction are calculated as the difference between the products and
reactants, using Equations (6) - (9). The commonly needed equilibrium constant K can be
calculated using Equation (11). The physical meaning of these functions and values will be
described in more detail in Chapters 10.1 - 10.4.
Che mical re action: aA + bB +... = cC + dD +... [6]
Enthalpy of re action: ∆H r Σ ν iH i(Products) - Σ ν iHi(Re actants) [7]
= (c*H C + d*H D +...) - (a*H A + b*H B +...)
Entropy of re action: ∆Sr Σ ν iSi(Products) - Σ ν iSi(Re actants) [8]
= (c*SC + d*SD +...) - (a*SA + b*SB +...)
Gibbs e ne rgy of re action: ∆Gr SniGi(Products) - Σ ν iGi(Re actants) [9]
= (c*GC + d*GD +...) - (a*GA + b*GB +...)
[C]c * [D]d * ...

Equilibrium constant: K = ⎯⎯⎯⎯⎯⎯ [10]
[A]a * [B]b * ...
ln K = ∆Gr / (-RT) [11]
where the following abbreviations have been used:

[A] = a ctivity or partial pressure of species A, B, C, etc.
a = stoichiometric coefficient of species A in reaction
ν = stoichiometric coefficient of a species in reaction (a, b, c, ...)
R = gas constant = 1.987 cal/(Kmol) = 8.314 J/(Kmol)

T = Temperature in K
9. OPERATING INSTRUCTIONS
9.1 Starting HSC
The easiest way to start HSC Chemistry is by double-clicking the HSC icon in the
Windows Program Manager using the mouse. Within a few seconds the computer loads
HSC into the memory and displays the Main Menu of HSC on the screen, see Fig. 1.
9.2 Main Menu of HSC
Fig. 1. The Main Menu of HSC Chemistry.


The current version of HSC has fourteen calculation modules as well as element and
species databases, which can be seen as option buttons in the main menu, see Fig. 1. The
option is selected by clicking the button by mouse or using the Tab and Enter keys.
All the calculation options have various printing facilities for tables and diagrams with a
formatting possibility. However, some options use the default printer font settings, which
can be selected, for example, by pressing Se ttings in the main menu, see Fig. 1. For a
description of He lp see Chapter 9.4.
9.3 Printer Settings
Fig. 2. Selecting fonts for tables and diagrams.
Font settings are available for tables and diagrams separately, however only one font type
and size can be selected at a time. After pressing Se ttings in the main menu, Fig. 1, the
program shows the HSC Printer Settings Window, Fig. 2. Please use the following steps
to select fonts:
1. Press Font in the Table Font group.

2. Select Font type from the list.
A non-proportional font is recommended for the tables, for example: LinePrinter,
Courier New and Courier.
3. Select the Font size and style (regular, bold), recommended size is 8 - 12.
4. Press Font in the Diagram Font group.
5. Select Font type from the list, non-proportional and proportional fonts can be used.
6. Select the Font size and style (regular, bold), recommended size is 10 - 12.
7. Change the Top and Left Marginal settings if necessary.
A sample of the font is available in the Settings Window at all times. By pressing the OK
button the selected fonts and sizes will be saved in the HSC6.INI file in your Windows
directory. HSC6.INI can also be edited using for example the Notepad ASCII-editor.
HSC always reads the HSC.INI file first when starting, therefore the last specified font
settings will be used. See Chapter 7.3. for a description of the HSC6.INI file.
To return to the main menu, click on Cance l. The default printer settings can be changed
using the Printe rs icon on the Control Pane l.
9.4 Using HSC Help
The new HSC Help module contains all the information, graphics and formulae of the
HSC printed manual along with convenient search, print, edit and save options. The "Help
Manual" is divided into 34 chapters all being separate files. These files are in Word 2000
format and located in the HSC6\Help-folder.
Nearly all HSC menus have a He lp selection that opens the HSCHelp module and
displays the corresponding chapter in the manual. Fig. 3 shows the help pages for Chapter
10. Reaction Equations.
Fig. 3. HSCHelp module with the Reaction Equations module selected, see Fig. 1 in Chapter 10.
The left frame lists all the available help chapters and the right frame displays the current

selection. Clicking on a chapter in the left frame will automatically load and show that
chapter in the right frame. To print the current chapter, select File /Print from the menu.
It is also possible to search the manual using keywords. Simply select the Se arch tab from
the left frame and type the desired keyword in the textbox. By pressing the List Topics
button all the chapters containing the keyword are displayed. The desired chapter may
then be selected and by pressing the Find Ne xt button, the next entry containing the
keyword is displayed. Fig. 4 shows a search conducted using the keyword “stream”.
Fig. 4. Search the manual using keywords.

The HSCHelp Editor enables the user to manually view and edit help chapters. Select
Edit/Edit Curre nt Docume nt from the menu to open the editor for the current chapter.
The edit mode can be useful when, for example, printing only a few pages or a selected
part of a chapter. Several of the typical word processing options are available in the Help
Editor. HSC Help Editor reads and writes Word 2000 files and it supports most of the
Word 2000 features but not all, i.e. it is not 100% Word 2000 compatible. Fig. 5 shows the
edit mode for Chapter 11. Heat and Material Balance.
Note that you may also add your own DOC-files to HSC6\Help-folder and
HSCHelp-routine reads these automatically.
Fig. 5. HSCHelp, Edit Mode.

10. REACTION EQUATIONS

Clicking the Re action Equations button in the main menu shows the Reaction Equations
Window, see Fig. 1. With this calculation option you can calculate the heat capacity,
enthalpy, entropy and Gibbs energy values of a single species as well as of specified
reactions between pure substances.
See the reference state definitions, valid notations and abbreviations for the description of
the chemical formulae in Chapter 28. Databases, chapter 2.
10.1 One Chemical Substance
Fig. 1. Reaction Equations Window of HSC Chemistry.

Fig. 2. Thermodynamic data of A12O3 (alumina) displayed by the Reaction Equation option of HSC
Chemistry.
By entering a single chemical formula into the Formula box you will get similar tables of
thermochemical data as presented in many thermochemical data books. HSC will,
however, provide the results faster and exactly at those temperatures which you really
want. Please follow these steps:
1. Write a chemical formula into the box, Fig. 1.
For example: Fe, Na2SO4, Al2O3, SO4(-a), H(+a) or SO2(g).
See the valid notation and syntax of chemical formulae in Chapter 21.2.
2. Select the lower limit, upper limit and temperature step.
3. Select the Temperature and Energy Units, by clicking the corresponding buttons.
4. Select the Format of the results.
Normal (Absolute scale ):
H(species), S(species) and C(species)
This format is used for example in the famous I. Barin, O. Knacke, and O.
Kubaschewski data compilation1.
De lta (Formation functions):
∆H = H(species) - Σ H(elements)
∆S = S(species) - Σ S(elements)
∆G = G(species) - Σ G(elements)
∆G = G(ions) - Σ G(elements) + z/2*G(H2(g)) - z*G(H(+a))

z = charge.
This format is used for example in the NBS TablesNBS 82.
5. The Colle ct to She e t option will collect several tables on the same spreadsheet.
6. Select the Show Transitions option if you also want to see the data at the phase
transformation temperatures, such as crystal structure changes and melting.
7. Select the Criss-Cobble option if you want a Criss-Cobble extrapolation for the
heat capacity of aqueous species, see Chapter 21.4.
8. Press Calculate (or Enter) to get the results on the screen.
9. Press Print to print the results, see Fig. 2. Note that you can collect several sets of
results in the same sheet if you have selected the Colle ct to She e t option in Fig. 1.
You can clear the whole sheet by pressing Cle ar.
10. Press Copy All to get all the results into the Clipboard, then you can easily paste the
results to other Windows applications, for example, to MS-Excel, see Fig. 2. Using
Copy it is possible to copy and paste contents of individual cells to other
applications.
11. If you want to save the formula and results in an ASCII-file press Save , see Fig. 2.
You can read these files back to the Reaction module using File Ope n, see Fig. 1.
Note that Save saves all the selections in Fig. 1, so you can return these using File
Ope n. The File Ope n HSC 2 File button reads only old HSC 2.0 files which
return only formula, but not the selections nor temperature range.
Note : 1. You can easily check the basic data from the database, which has been used in the
reaction module calculations. In Fig. 1 select the formula in the Reaction Equation
box and press Pe e p Database . The same procedure can be found in Fig. 2 by
pressing the right mouse button or selecting Edit from the menu.
2. The table in Fig. 2 has some formatting and Copy - Paste functions as do other
tables in HSC Chemistry. These features help to create a good printed copy of the
results for various purposes.
3. HSC searches for the species data first from the Own database (OwnDB5.HSC).
If it does not find a species there, it will search from the Main database
(MainDB5.HSC). Therefore HSC always uses data in the Own database if the
same species exists in both Own and Main databases.
4. If you have selected De lta-format for the results, HSC will also search for data for
the necessary elements and calculate the formation functions of enthalpy, entropy
and Gibbs energy. Usually the original experimental data is in this format: however,

sometimes the comparison of data in this format may be more difficult because the
data sources often use different data for elements.
5. HSC will make a Criss-Cobble e xtrapolation for the heat capacity of aqueous
species at elevated temperatures (> 25 C°) if the Criss-Cobble option is selected.
The extrapolation is not done if A and B of the heat capacity coefficients A, B, C
and D exist in the HSC Chemistry databases. The extrapolation error increases
rapidly at higher temperatures. More information on extrapolation is given in Chapter
28.4.
6. For aque ous spe cie s it is recommended to set:
Lower temperature = 25 °C
Upper temperature = 300 °C
Step = 25 °C
10.2 One Chemical Substance Results
After pressing the Calculate button in the previous screen, Fig. 1, you will arrive in the
results window, Fig. 2. From this results screen you can save and print the results:
1. Press Save if you wish to recalculate the results later. The Save button will also
save the settings used in Fig. 1. You can read these files back to HSC using the File
Ope n button, see Fig. 1.
2. Press Print if you want a paper copy. If you have selected the Colle ct to She e t
option in Fig. 1, then all results will be collected on the same sheet and can be
printed together. Cle ar will clear the results sheet.
3. Press Copy to get the results of selected cells into the Clipboard, then you can
easily paste the results, for example, to MS -Excel, see Fig. 2.
4. Press Copy All to get all the results of the sheet into the Clipboard, then you can
easily paste the results, for example, to MS -Excel, see Fig. 2.
5. Press OK to return to the previous Window.
10.3 Reaction Equations
Fig. 3. Input data for Reaction Equation calculations.

Fig. 4. Results of Reaction Equation calculations.
You can write almost any kind of reaction equation into the Reaction Equation box of
HSC, Fig. 3. Here are some examples of valid equation syntax:
2Cu + S = Cu2S
H2O = H(+a) + OH(-a)
H2(g) = 2H(+a) + 2e-
H2O = 1/2O2(g) + 2H(+a) + 2e-
Ag = Ag(+a) + e-
3NO2(-a) + 2H(+a) = 2NO(g) + H2O + NO3(-a)
2Al(+3a) + 3S(-2a) + 6H2O = 2Al(OH)3 + 3H2S(g)

Write the reaction equation into the box, see Fig. 3. If you have not given the
stoichiometric coefficients for the species, you can press Balance Equation for solving
unknown coefficients. The balance button solves the coefficients on the basis of element
balance equations. Therefore it cannot solve unknown coefficients if their number is larger
than the number of elements in the corresponding reaction.
On the right side of the button you may give a multiplie r, which will be used to multiply all
the coefficients in the reaction equation. The default value is 1, which means that the
smallest stoichiometric coefficient in the reaction equation is 1.
You can continue in the same way as in the One Chemical Formula option Chapter 10.1.
Note that the De lta Format and Show Transitions options have no effect on the results,
because the enthalpy and Gibbs energy of a reaction are in the Delta format by definition.
HSC calculates the stoichiometry of the reaction given by the user, and points out errors if
the element balance is incorrect.
The example in Fig. 3 refers to the Mond-process for refining impure nickel. In the
process raw impure nickel is first treated with CO gas at 60 °C to evaporate the nickel as
a carbonyl gas. In the second stage, the temperature of the gas is increased to 200 °C to
decompose the nickel carbonyl gas into pure metallic nickel and CO. This process works
because the equilibrium of this reaction is on the right side (Equilibrium constant K > 1) at
lower temperatures and on the left side (K < 1) at higher temperatures. The reaction is
exothermic (DH is negative) at all temperatures.
Vapor pressures p can be calculated by writing the reaction equation for the vaporization
reaction concerned. For example, for pure magnesium the equilibrium is Mg = Mg(g), Fig.
5. The activity a of pure magnesium is 1 and thus the vapor pressure in bar is equal to the
equilibrium constant according to Eq. (10) in Chapter 8. Introduction and Eq. (1). See
also Fig. 6.
K = pMg / aMg = pMg [1]
If a substance vaporizes into several polymers, all of them must be taken into account. The
total vapor pressure is then the sum of all the individual partial pressures, if the gas phase
behaves ideally.
You can also calculate more complicated reactions. First write the reaction as shown in
Fig. 7, then press Balance for the coefficients, see Fig. 8 and finally press Calculate for
the results, see Fig. 9. Note that for aqueous ionic reactions HSC also calculates the
electrode potential versus Standard Hydrogen Electrode if electron (e-) is used in the
formula.
You can calculate mass balances in moles, grams and liters for any reaction. The species
does not need to exist in the HSC databases.
Fig. 5. Input data for Reaction Equation calculations.

Fig. 6. The equilibrium constant K is equal to the vapor pressure in atm according to Equation (1) if the
activity of magnesium is 1. The boiling point of magnesium is about 1100 °C beyond which its vapor
pressure exceeds 1 atm.
Fig. 7. Write the reaction equation without stoichiometric coefficients and press Balance Equation.
Fig. 8. Press Calculate to display the results.

Fig. 9. Results for an aqueous ionic reaction.
The data used to calculate the results can be displayed by selecting one substance in the
Re action Equation box, see Fig. 3 and pressing Pe e p Database . The same procedure
can be found in the Results window, see Fig. 4, by pressing the right mouse button. The
database content is shown in Fig. 10. Inse rt is available for inserting a selected formula
into the Reaction Equation box. Re move will remove a selected formula from this same
box. Note that the selections and editing in Fig. 10 do not have any effect on the HSC
databases.
Fig. 10. The database window.
10.4 Reaction Equations Results
The operation of the buttons in Fig. 3 are described in the previous chapter. The meaning
of the results can be summarized as the following:
1. If the equilibrium constant K is < 1 (or log(K) < 0) the reaction goes to the left.
2. If the equilibrium constant K is > 1 (or log(K) > 0) the reaction goes to the right.
3. Negative Enthalpy H of the reaction means that the reaction is exothermic, i.e. heat
is released, Equation 7 in 8. Introduction.
4. Positive Enthalpy H of the reaction means that the reaction is endothermic, i.e. heat
is needed, Equation 7 in 8. Introduction.
5. Delta Format has no effect on the results of reaction equations.
6. In ionic reactions POTENTIAL E yields the electrochemical potential (in Volts)
versus the Standard Hydrogen Electrode.
7. Equilibrium constant K is calculated using Equation 11 in 8. Introduction.
Antti Roine , Pe te r Bjorklund August 10, 2006 06120-ORC-T
11. HEAT AND MATERIAL BALANCE
Fig. 1. Heat and Material Balance workbook with IN1, OUT1 and BAL sheets.
Heat balance calculations are usually carried out when developing new chemical
processes and improving old ones, because no process can work if too much heat is
released or if there is a lack of thermal energy to maintain the reaction temperature. This
module calculates the real or constrained heat balances, with given mass-balances as the
boundary conditions, but not the theoretical balances at equilibrium conditions.
The heat balance application always contains IN1, OUT1 and BAL sheets. A pair of IN
and OUT sheets is called a Balance area, which may be considered equivalent to a
control volume. A total number of 127 balance areas may be inserted, to create a multiple
balance area workbook. Multiple balance area workbooks are explained in more detail in
chapter 10. Multiple balance areas. For simplicity only the first balance area (IN1,
OUT1) will be described in the following chapters.
The basic idea of the heat balance module is that the user specifies the IN1 and OUT1
species, temperatures and amounts and the Heat Balance module automatically
calculates the heat and material balances using the BAL sheet. The Heat balance module
updates the calculated results on the BALANCE row at the bottom of the form each time
the user changes the input data. Please do not modify the BAL sheet.
Since the program uses and creates new balance areas according to the name of the
sheets, it is extremely important that the automatically created sheet names, i.e. the
BAL, INx and OUTx sheets, should not be modified.
You can also add new sheets for other spreadsheet calculations using the Inse rt She e t
and Inse rt Exce l She e t selections in the menu. The other sheets work very much like
MS Excel worksheets, for example, you can:
- rename the sheet name by double clicking the sheet tab
- type formulae into the cells
- use similar cell references as in Excel
- use most of the Excel functions
- link the sheet to IN1 sheet using normal Excel cell references, for example, for
converting elemental analysis of the raw material to amounts of the components.
- use the heat balance calculation results in OUT1 sheet as the initial values for other
spreadsheet calculations.
In addition the Heat Balance menu provides a wide range of Excel type features, such as:
number, font, alignment and border formatting, defined names settings and cell protection.
Because they are not necessarily needed in heat balance calculations, these features are
not described here in detail.
The new heat balance module offers several ways to calculate heat and material
balances:
1. The user types the input and output species, temperatures and amounts into the IN1
and OUT1 sheets respectively. This is a simple way to calculate heat and material
balances and was available already in HSC 2.0. However, the problem with the old
version was that the user had to manually maintain the material balance when the
input feed changed.
2. Materials (species) are given as groups of substances, called streams. These
streams can be the same as the phases, but they can also be a mixture of phases.
3. The output amounts can be linked with the input amounts with Excel type cell
references, or vice versa.
11.1 Basic Calculation Procedure

The following procedure will describe the most simple way to calculate Heat Balance:
1. Introduce the input substances (raw materials), temperatures and amounts on the
IN1 sheet. It is possible to either type amounts in kmol, kg or Nm3. It is advised to
use kmol and kg because missing density data may cause inaccuracy with
Nm3 units.
2. Introduce the output substances (products), temperatures and amounts on the
OUT1 sheet. Type amounts in either kmol, kg or Nm3 as preferred.
3. When feeding additional energy (electricity) to the process, enter this amount into
the Total column in the last empty row of the IN1 sheet. You can also type for
example “Extra Heat” in the first column of this row, see Fig. 20. The Database
module will convert the color of all “inert“ text in the first column to green, if this
text is not identified in the database as a substance. Notice that:
1 kWh = 3.6 MJ = 0.8604 Mcal (th).
However, the Balance module will automatically recalculate green text when
changing units from the menu. If the green text cell contains a formula, it will
automatically be changed according to the new unit. For example a change
from °C to K will add “+ 273.15” to the end of the formula.
4. If heat loss values are known then type them into the last empty row of the OUT1
sheet in the last column (Total). A first estimate of heat losses for an air-cooled
reactor (natural convection) can easily be calculated using the following formula in
kcal/h:
Hloss = (6.8 + 0.046 * T2 ) * (T2 - T1 ) * A

[1]
Where: A = Outer surface area of the reactor (m2)

T2 = Surface temperature of the reactor (°C)
T1 = Room temperature (°C)
Please use the Heat Loss module if more accurate heat loss approximations are
needed.
5. HSC automatically and immediately updates the heat balance on the bottom line as
soon as changes to any input data are made.
6. HSC also automatically updates the material amount balances in mol, kg and Nm3
units. Notice that only the mass balance in kg units on the bottom row should be
zero; the mole or volume balances can easily change in any chemical process.
7. The element balance can be checked by selecting Ele me nt Balance from the
Calculate menu, see Figs. 1 and 2.
8. By selecting Te mpe rature Balance from the Calculate menu it is possible to see
the estimated temperature of the products when the heat balance = 0, see Figs. 1
and 3.
Fig. 2. Element Balance.
Fig. 3. Temperature of the products (adiabatic process).
9. To insert an empty row in the table, select Row from the Inse rt menu or by
pressing the right mouse button and selecting Inse rt Row from the popup menu.
10. Rows can be deleted by selecting Row from the De le te menu or pressing the right
mouse button and selecting De l Row from the popup menu.
11. You can change the order of the substances by inserting an empty row and using
the Copy - Paste method to insert the substance in the new row. The Drag and
Drop method can also be used. However, it is extremely important to Copy and
Paste the whole row not only the formula, because of auxiliary data in the
hidden columns on the right side of the IN1 and OUT1 sheets.
Please keep the Copy Mode selection on in the Edit menu when rearranging the
species, as this will force the program to select the whole row. When formatting the
columns and cells, turn the Copy Mode selection off in the Edit menu.
12. Temperature units can be changed by selecting the C or K from the Units menu.
13. Energy units can be changed by selecting Mcal, MJ or kWh from the Units
menu.
14. If a paper copy is needed, select Print from the File menu. This option will copy all
the data on the same Print sheet and will also print this sheet on paper if the user
presses OK. Notice that you can delete this Print sheet by activating it and then
selecting She e t from the De le te menu. The Print She e t selection in the File
menu will print only the active sheet.
15. To save the sheets, select Save from the File menu. Please save sheets often
using different names, because you may wish to make small changes later or to
return to the original sheet. Saving sheets is important, because the Undo feature is
not available in HSC Chemistry.
16. It is possible to take into account the water/steam pressure compensation by
moving the cursor to an H2O or H2O(g) species and selecting Insert/Pressure
correction H2O from the menu. This will open the Pressure and Temperature
calculator, where it is possible to specify the pressure for the species. This is useful
when calculating for example steam processes.
11.2 Formatting the Worksheet

The heat balance module offers several Excel type formatting possibilities. These may be
selected in the Format menu:
- Number, Font, Font Default, Alignment, Border, Pattern, Object (for graphical
objects), Sheet, Options
- Column Width, Row Height
- Define Names, Refresh Names
- Protection On, Off, Lock all Cells, Unlock all Cells
The window size may also be changed from the Vie w menu. The Normal selection gives
a VGA size window, Full He ight selection uses the whole height of the screen and Full
Width fills the whole screen.
11.3 Specification of Substance Groups (Streams)

The new HSC Chemistry 5.0 offers the possibility to specify the input and output
substances in streams. These streams can be made of one or several physical phases or
species which have the same fixed temperature and elemental composition. Although heat
and material balance calculations can be made without using the streams, division into
streams helps considerably when changing temperatures and material amounts. Notice
that when using formulae/link s in temperature cells the temperature cells are not
updated if the species are not divided into streams.
Examples of “one-phase streams” are, for example:
1. Air feed.
2. Process gas output.
3. Homogenous liquid and solid inputs and outputs.
Examples of “multi-phase streams” are, for example:
1. Liquid material with solid particles (suspension) as input or output.

2. Solid feed mixture of the process, made of different substances, such as mineral
concentrate, coal and sand.

3. Gas feed with liquid droplets or solid powder.
The species rows in the IN1 and OUT1 sheets are divided into separate groups by special
stream rows. These rows can be inserted in the sheet using the Stre am selection in the
Inse rt menu or using the same selection in the popup menu from the right mouse button.
The heat balance module automatically makes the following modifications to the sheet
when you insert a new stream (group) row in the sheet:
1. Asks for a name for the new group, which you can change later if necessary.
2. Inserts a new empty row above the selected cell with a light blue pattern.
3. HSC assumes that all rows under the new group row will belong to the new group
down to the next group row.
4. Inserts Excel type SUM formulae in the new group row for calculating the total
amount in the group using kmol, kg and Nm3 units.
Once the insert procedure is ready, you can edit the group row in the following way:
1. The stream name (label) can be edited directly in the cell.
2. The stream temperature can also be changed directly in the cell and will affect the
temperature of all the species in this group.
3. The total material amount of the group can be changed simply by typing a new
amount in the group row in kmol, kg or Nm3 units. This amount can be typed
directly over the SUM formula and the program will automatically change the
amounts of the species keeping the overall composition constant. The program will
then regenerate the original SUM formula after calculating the new amounts.
4. It is important to note that you are unable to type formulae in the amount and
enthalpy columns of the stream row, because the SUM formulae must be in the
stream row.
To change the amounts of species in a stream using kmol, kg or Nm3 units, simply type
the new amount in the corresponding cell. The program will automatically update the
amounts in the other columns, total amount of the stream and the total material and heat
balance as well.
An example of the species streams can be seen in Fig. 4. The output species have been
divided into four streams. In this example the species in each stream exist in the same
phase. Proce ss Gas is a gaseous mixture phase, Slag is a molten mixture phase and
White Me tal is a pure molten substance.
Fig. 4. The OUT1 sheet of the Heat Balance module. The species have been divided into three streams,
which are the same as the existing phases.
11.4 Formulae in the Cells
Excel-type formulae and cell references can be used, for example, in order to link the
input and output amounts with each other and to maintain the material balance
automatically when the input amounts change. The input and output amounts can be linked
using two main methods:
1. An Excel-type formula can be typed in the kmol column, which expresses the
dependence of the output mole amount on the input mole amount. For example, if
Cu2S in the cell OUT1!C10 contains 93.8 % of copper input then you may type
formula = 0.938*IN1!C7 in cell OUT1!C10, see Fig 5.
2. The Heat balance module automatically calculates input and output mole amounts
for elements. The cell names for input amounts are: InAc, InAg, InAl, InAm and
the equivalent for output elements are called OutAc, OutAg, OutAl, OutAm, etc.
For balance areas with a higher number (for example the IN2 and OUT2 sheets)
the corresponding cell names are simply InAc2, InAc3 and OutAc2, OutAc3, etc.
These names can be used in the formulae. The formula in the previous example can
also be written: =0.938*(InCu-C12)/2 using these defined names, see Fig. 5. The
cells with element amounts are not visible to the user.
Please be very careful when using default input and output names simultaneously,
because it is very easy to end up with circular references. An indication of a
circular reference is that the heat and material balance, which can be seen on the
BALANCE row, changes even after a recalculation (Calculate /Re Calc from the
menu). By selecting Format/Options from the menu and highlighting the Ite ration
checkbox under the Calculation tab, it is possible to automatically iterate the
circular references. This is, however, not recommended for very large worksheets.
Within the IN1 and OUT1 sheets it is recommended to use formulae only in the kmol
column and not in the other Amount columns. You can use the formulae also in other
columns, but please be very careful. In the other sheets there are no special limitations for
the formulae.
Fig. 5. The OUT1 sheet of the Heat Balance module. Copper output has been linked with copper input
with a formula and defined name: InCu.
11.5 Elemental Compositions
The elemental compositions of the species groups may be calculated using the Stre am
Compositions selection in the Calculate menu, see Fig. 6. This procedure calculates the
elemental compositions of each group, creates new In1-% and Out1-% sheets and prints
results on these new sheets in mol-% and wt-% units.
Notice that a procedure to convert elemental analysis back to species analysis is not yet
available in the heat balance module. A general solution to this kind of problem is quite
difficult and in many cases impossible. However, a custom-made solution for an individual
case is possible with a little effort and normal Excel-type formulae:
1. Create a new sheet using the She e t selection in the Inse rt menu, see Fig. 6.
2. Rename the new sheet by double clicking the tab, for example to “Compositions”.
Notice that you can use also the Input-% sheet as the starting point as you rename
it.
3. Type the elemental and species compositions on the new sheet.
4. Notice that you can insert Formula Weights in this new sheet by selecting the
chemical formula cells and then selecting Mol We ight from the Inse rt menu.
5. Create Excel-type formulae, which convert the elemental analysis of a group to
mole amounts of species using formula weights of the elements and species.
6. Type formulae in the kmol columns of the IN1 sheet, which refer to species
amounts in the Compositions sheet.
Fig. 6. The Out1-% sheet of the Heat Balance module. This sheet shows the elemental compositions of
the phases, after the Stream Compositions option has been selected from the Calculate menu.
11.6 Additional Sheets

The Heat Balance workbook consists at least of the IN1, OUT1 and BAL sheets. The
user may, however, add up to 256 sheets to one workbook. These additional sheets may
be used, for example, to convert the elemental compositions of raw materials to amounts
of species which are needed in the IN1 sheet. These sheets can also be used to collect
the main results from the OUT1 sheet in one summary table. Do not use the reserved
names IN1, OUT1, BAL and Target as sheet names.
To add sheets select Inse rt She e t from the menu. This will add one sheet on the selected
location. To rename this new sheet, double click the Tab on the bottom of the form. You
can also import Excel sheets by selecting Inse rt Exce l She e t from the menu. This
selection allows you first to select the file and then the sheet which you want to insert into
the active Heat Balance workbook.
The example in Fig. 7 shows a FEED sheet, which is used to specify the raw materials
amounts to the IN1 sheet. The user may give the compositions and amounts in column C,
this data will then be used to calculate the amounts of species in column F. The material
amounts in IN1 sheet are given using relevant cell references to column F in the FEED
sheet. This example can be found from your HSC5\Balance directory under the name
CUCONV2.BAL. The user can construct the layout of the additional sheets freely.
The “Red Font Shield”property is a useful way to prevent accidental modification of the
data in the cells. If this property is set using menu selection Format, Re d Font Shie ld
then only cells with red font can be edited. However, it is recommended to save the work
regularly using different names, for example, test1.bal, test2.bal, test3.bal, etc. in order to
recover the original situation after harmful modifications.
Fig. 7. Additional sheets can be added to the Heat Balance workbook.
11.7 Target Dialog

The user can iterate manually, for example, the fuel amount which is needed to achieve
zero heat balance by changing the fuel amount until the heat balance is zero. The Target
sheet offers a faster automatic way to carry out these kind of iterations. The following
instructions will explain this procedure in more detail:
1. Select Targe t Dialog from the menu. This will also automatically create a Target
sheet, which is similar to previous HSC versions.
2. Select one cell on row 4 in the Target dialog if not selected.
3. Select one cell which will be used as a first variable and select Se t variable ce ll.
This will add the cell reference of this variable to the Target dialog in column B.
You can also type the cell references manually in the Target dialog. Note: Please
use only Stream temperature cells as variables for the temperature iterations, ie. do
not use species temperature cells.
4. Select one cell which will be used as first variable and select Se t targe t ce ll. This
will add the cell reference of this variable to the Target dialog in column B.
5. Repeat steps 3 and 4 if you want to add more variables and targets.
6. Set valid Min and Max limits in columns D and E as well as the Targe t Value in
column H. You may also type names in columns A and F.

7. Usually it is also necessary to give estimated initial Test Values in column C for the
automatic iterations. Iteration ends when the target value (col H) or iteration
number (col I) is reached. Accuracy can be improved by increasing the number of
decimals used in columns G and H with the Format Numbe r selection.
8. Select the rows (> 3) on the Target sheet which you want to iterate and press
Ite rate se le cte d rows or F8. If all rows should be iterated, simply press Ite rate
All.
In the following example, shown in Fig. 8, you can select for example row 4 and press F8.
This will evaluate the copper scrap amount which is needed to maintain the heat balance
in the given conditions. Row 5 can be used to iterate the iron content of the matte in the
same conditions and row 6 to achieve a given FeS amount.
Important note: Please use only Stream temperature cells as variables for the temperature
iterations, ie. do not use species temperature cells.
Fig. 8. Target dialog specifies the variables and target cell references.
11.8 Graphics
Occasionally it is useful to see the results, of for example a heat balance calculation, in
graphical format. This can be carried out manually by making step by step changes to one
variable cell and collecting data from interesting cells, for example, to an Excel sheet.
Sometimes further calculations may be required after every step, which can be specified
using the Diagram Dialog. Step by step the procedure is as follows:
1. Select Diagram/Diagram Dialog from the menu.
2. Select the variable cell and press Se t X-ce ll from the dialog. Select, for example,
cell C11, see Fig. 7.
3. Select a cell for the y-axis and press Se t Y-ce ll from the dialog. Select, for
example, the Heat Balance cell at the bottom right of the form. You may repeat this
step and collect several cells whose values will be drawn to the diagram.
4. If other calculations are required between every step, press Targe t ite ration and
the Target sheet will automatically open. Select the calculation rows that should be
iterated before the Y-row and press Se t Targe t rows from the menu. The row
data will now be tranferred to the Diagram dialog into columns 4, 5, etc.
5. Fill the Diagram Settings as shown in Fig. 9. You must specify the MIN, MAX and
STEP values for the X-Axis. You can also specify the cell references, labels and
units manually in this form.
6. Press Diagram to create the tabular data for the diagram and Diagram once again
to see the final diagram, Fig 9.
7. The diagram can be modified, copied and printed in the same manner as other
diagrams in HSC Chemistry.
8. Show/Toolbar shows the drawing menu and Show/Obje ct Editor shows the
object editor, which lets you specify the objects manually.
9. To return to the Heat Balance module, press Exit at the bottom left corner of the
diagram form.
From the diagram shown in Fig. 9 you can see that roughly 68 kg/h of scrap is needed to
adjust the heat balance to zero. Notice that the units in the diagram are kg/h and kW.
Fig. 9. Simple heat balance diagram.
In the following diagram (Fig. 10) the heat balance is automatically calculated before each
step, which is indicated by the number “4” in the Targe t row 1 column. This is done by
pressing the Targe t ite ration button, selecting row 4 on the Target sheet and clicking the
Se t Targe t rows button. The x-axis now gives the Fe wt-% and the y-axis the cooling
scrap required. The diagram may then be interpreted as the quantity of cooling scrap
required to make the heat balance zero, when the Fe wt-% varies from 20% to 25%.
Fig. 10. Diagram where the heat balance is automatically iterated to zero before every calculation step.
11.9 Multiple balance areas

The previous Balance modules up to HSC 4.0 were restricted to one balance area (or
control volume) only. Since most processes consist of multiple balance areas, the new
Balance module enables the user to create up to 127 multiple balance areas. A balance
area consists of an INx and an OUTx sheet, where x denotes the number of the balance
area. These can then be connected to each other creating a realistic simulation of a
process. The example file FSF_proce ss.BAL contains a highly simplified multibalance
model of an Outokumpu Flash Smelting Furnace process.
A new balance area is created by selecting either Inse rt/Balance Are a to Right or
Inse rt/Balance Are a to Le ft from the menu. This will insert a pair of INx and OUTx
sheets to the corresponding position. A balance area may easily be deleted by selecting
De le te /Balance Are a. Deleting a single sheet of a balance area, for example an INx
sheet, is not possible. The balances are all automatically collected into the BAL sheet so
please do not modify this sheet.
Fig. 11. The BAL sheet when the worksheet consists of 5 balance areas.
Link ing the balance areas with each other is recommended to carry out after each
individual balance areas operate properly. Linking may be achieved either manually
with formulae or automatically with the Copy - Paste Stre am combination. Simply place
the cursor on a stream row in an OUTx sheet, or on a row that belongs to a stream, and
select Edit/Copy. Then place the cursor on a row in an INx sheet and select Edit/Paste
Stre am. The stream will now be copied here so that the first row of the stream is the
cursor position. The kmol column of the pasted stream will consist of links (formulae) to
the copied stream, so that the material amounts of the streams will remain equal. The
other cells are directly copied as values. If the stream temperature cell in the copied
stream is a formulae then it will not be copied. In this case it is up to the user to decide
how the stream temperature for the pasted stream should be calculated.
It is also possible to create return streams, i.e. streams that return to a previous part of
the process, thus creating loops in the process. When pasting a stream into an already
linked part, a circular reference might occur. This is the case when links eventually refer
back to each other, i.e. iterations are needed to calculate the worksheet. Automatic
iterations may be done by selecting Format/Options from the menu and highlighting the
Ite ration checkbox under the Calculation tab. Please be careful when changing the
inputs of a worksheet consisting of circular references. For example if a cell, which is part
of a circular reference, shows the message #VALUE!, it will not recover unless the links
in the cells are changed thus breaking the circular reference. Saving the worksheet
regularly using different names (Test1, Test2, etc.) is thus always recommended.
Fig. 12. The IN1 sheet (Flash Furnace) of the FSF_process.BAL example. The stream Flue dust is a
return stream from the boiler (Copy/Paste stre am), thus creating circular references in the worksheet.
Automatically updated defined names (input and output kmol amounts) vary according to the
balance area. For example InAl, InC, OutFe for the first balance area will become InAl2,
InC2, OutFe2 for the second etc. Note that the defined names of the first balance area do not
have index numbers.
Fig. 13. The OUT2 sheet (Converter I), gives the output from the first part of the converter. The formula
=InCa2*Analysis!L29/100 in cell C5 means that the total Ca is distributed as the percentage given in
cell L29 on the Analysis sheet.
Drawing Flowshe e ts (Flowcharts)
Additional sheets may be used to collect, for example, all the necessary input for the process
into one sheet. They may also be used to collect calculated process parameters, for example
the amount of Cu in a stream. Figure 14 shows the process layout for the Flash Smelting
Furnace process.
"Insert, Graphical Object, ..." selection gives possibility to draw lines, rectangles, etc. on the
additional sheets. However, it is recommended to draw flowsheets using "Format, Border, ..."
and "Format, Pattern, ..." selection because these properties are more compatible with Excel
95, 97 and 2000. Arrows may be drawn using "Insert, Graphical Object, Arrow" selection.
HSC graphical objects are compatible only with Excel 95. This means that if you want to get
the graphical objects to Excel-files then you should save using "File, Save XLS 5 file, ..." dialog.
Fig. 14. Process layout and input sheet for the Flash Smelting Furnace process.
Figure 15 provides a more detailed analysis of the process. The model is constructed so that
the inputs are given as species analysis and the outputs are calculated. The elemental
distributions are also inputs, in other words the user defines the wt-% for the elemental
distributions into the given species and streams. This is achieved using the automatically
defined names, for example InCa and InO2, and thus always keeping the elemental balance at
zero. The model may then be used to balance the heat balances of the process, which enables
the user to calculate one unknown parameter per balance area. The unknown parameters
calculated in the FSF_process.BAL example are indicated by a light blue cell background. The
calculated parameters may be changed using the Target Dialog option, which is described in
further detail in chapter 8. Target Dialog.
Fig. 15. Detailed analysis of the input and output streams and the elemental distributions into different
species. The distributions are given in wt-% (weight percentage).
11.10 General Considerations
In the Heat Balance module it is possible to use the new add-in functions provided by
HSC 5.0. The functions should be enabled automatically, this may be seen from the File
selection in the menu. A checked HSC5.dll On indicates that the functions are available
and a checked HSC5.dll Off indicates that they are disabled. Sometimes it is necessary
to browse the location of the add-in file manually. This is done by selecting File /Add-Ins
from the menu and then browsing to your Windows system directory (for example
c:\Windows\System in Windows 98) by pressing the Browse ... button. Select the file
“HSC5.dll”. A more detailed description of the functions available may be found in
Chapter 27. Excel Add-Ins. It is, however, not recommended to use add-in functions for
very large worksheets, since a complete recalculation of the worksheet is necessary each
time a change is made in the worksheet. This is the case only when using add-in
functions.
Please do not use temperature formulae that are linked to other temperature values within
a stream, instead link them to the stream temperature cell or any cell in a user sheet.
Otherwise the temperatures will be updated only after the next change. Notice also that a
change in the temperature value is required for the whole stream to be updated
accordingly.
Simple graphical objects may be inserted by selecting Inse rt/Graphical Obje ct from the
menu. The shapes are: Line, Rectangle, Oval, Arc and Polygon. After inserting, the
objects may be modified by first selecting the object and then selecting Format/Obje ct
from the menu.
The Late nt H column (= specific heat) is used to describe the energy which may be
released when the compound is cooled down from the given temperature to 298.15 K. In
other words, it contains latent heats (= enthalpies of the possible phase transformations)
but also specific heats. The enthalpies given in the Total H column contain the values of
the Latent H column as well as the heats of formation reactions. These values are used to
calculate heat balances.
In molte n mixture s such as oxide slags, substances can exist in liquid state at lower
temperatures than their melting points. In these cases it is possible to use an (l)-suffix at
the end of the formulae, see Fig. 1. This will force HSC to use data of the liquid state for
species with an (l)-suffix.
The “Re d Font Shie ld” property is sometimes useful if you want to prevent accidental
changes to cells. You can activate this property by selecting Format Re d Font Shie ld
from the menu. After this selection you can edit only those cells which contain red font.
If you have carried out a laboratory or industrial scale experiment or process calculations
you usually know:
1. The raw (input) materials and their amounts and temperatures.
2. The product (output) materials and their amounts, temperatures and analysis.
3. The input heat and heat losses can first be estimated as zero, if not available.
In order to calculate a heat balance you must first convert the (elemental) chemical
analysis of the raw materials and the products into input and output substances (species).
Sometimes this step is the most difficult, so you may choose to carry out this procedure
using the HSC Mineralogy Iterations module, see Chapter 22. Mineralogy iterations.
When this is completed, simply type the input substances (species) into the IN1 Sheet and
the output substances into the OUT1 sheet. Immediately after that you will see the heat
and material balance on the bottom line. You can also test the procedure described in
chapter 5.
It is important to check the element balance by selecting Calculate /Ele me nt Balance , in

order to avoid incorrect material and heat balances. This can also be used to check the
validity of the chemical analyses and the other amount measurements of the experiment if
the user input is based on this data.
When creating a multiple balance area model, selecting Calculate /Total Balance shows
an overview of all balance areas in one window. This is useful for a quick check where
the material and/or heat balance are not zero. It also shows the total (or net) material and
heat balance for all balance areas. It is then easy to see which balance areas produce
heat, which require heat, and indications of how the heat could be tranferred within the
process.
On the basis of the final results, conclusions can be made as to whether extra energy is
needed or increased insulation is required or if the reactor needs cooling on a large scale.
The heat losses may also be determined using the HeatLoss module. Combining the two
modules provides a powerful way of calculating processes.
It is important to note that this is a real heat balance for engineering purposes, which also
takes into account the kinetic aspects if the user input is based on real experimental data.
The heat balance, which can be obtained from the equilibrium calculations, is theoretical in
this respect. It is valid only if the equilibrium is reached in the real process.
11.11 Heat Balance Examples
See the examples provided by the HSC package by selecting File /Ope n from the menu,
see Fig. 1, and select some of the ready made files in the directory for editing. HSC 5.0
can read the old HSC 2.0 Heat Balance text-files, but it cannot save them in the old
format. The new HSC 5.0 Heat Balance files save all the sheets and formats, not only the
text data.
1. Pre liminary che ck for a he at balance (CUSMELT.BAL file )

For some processes based on reaction equations or equilibrium calculations, the
heat balance can easily be checked by entering the assumed input and output
substances as well as their temperatures and amounts, see example
CUCONV.OHE and CUSMELT.OHE, Fig. 1.
2. Adiabatic te mpe rature of the flame (BUTANE.BAL-file )

In an adiabatic process heat losses from and heat input to the system are zero, i.e.
there is no heat exchange with the surroundings through the system boundaries.
Therefore, the adiabatic temperature equals the highest attainable temperature from
a flame or a chemical reaction. By typing the raw materials into the IN1 sheet and
the products into the OUT1 sheet it is possible to see the adiabatic temperature by
selecting Calculate/Temperature Balance from the menu, Fig. 3, see example
BUTANE.OHE.
3. Dime nsioning of an e vaporator (H2O.BAL-file )

The evaporator dimensions can be optimized manually by typing the input
substances into the IN1 sheet and the desired output substances, amounts and
temperatures into the OUT1 sheet. Once these have been entered, you can start to
change the amount or temperature of the input vapor (input heat if heated by
electricity) manually, in order to find the optimum values. See example H2O.OHE.
4. Ne t and gross he at value of coal, fue l oil and natural gas.

(Coal1-, Coal2-, FuelOil1-, FuelOil2-, NatGas1.bal-files)
The Heat balance module makes it possible to calculate the Heat Values (Calorific
Values) for different fuels. Examples for coal, fuel oil and natural gas are found in
the example files. Notice that the chemical structures of the fuel oil and coal are
very complicated, however, heat values based on the elemental analysis will usually
give sufficiently accurate results for practical applications.
5. Outokumpu Flash Sme lting Furnace proce ss (FSF_proce ss.BAL-file ).
This highly simplified process case consist of five balance areas linked together.
The balance areas are:
1) Flash Smelting Furnace
2) Converter I
3) Converter II
. 4) Boiler
5) ESP
The process input values are provided in the Proce ss flow sheet and in the
Analysis sheet. By pressing F8 or by selecting Ite rate All from the Targe t
Dialog, the heat balances are calculated. The values calculated are in the Proce ss
flow sheet and indicated by a light blue cell background.
6. Iron production proce ss (Iron_proce ss.BAL file ).

The example in this file is a very simplified model of an iron production process
consisting of three balance areas:
1) Pelletizing
2) Coking
3) Reduction
The process and its most important parameters are shown in the Proce ss flow
sheet, with a more detailed analysis available in the Analysis sheet. Notice that
only the material balances are zero and iterated according to what is set in the
Target sheet (or Target dialog). The heat balances are not iterated and therefore
not zero.
Pe te r Bjorklund August 10, 2006 06120-ORC-T
12. HEAT LOSS
The main use of this module is to estimate total heat loss or draw the temperature profile
of a wall or reactor. However, it can also be used to compare different materials and
different setups, for example the use of insulation when a material has a critical maximum
temperature or when the outside air cannot exceed a certain temperature. The conduction,
convection and radiation databases also provide a resource as simple reference tables for
material properties. Figure 1 shows an example of a heat loss wall calculation for a
smelting reactor with the temperature profile shown in rows 9 and 10.
Figure 1: Heat Loss calculation example of a smelting reactor wall.
The basic concept of the module is that the user specifies the system setup by selecting
the geometry of the object, inserting columns, specifying a material for each column,
specifying thicknesses (if any) and entering either one temperature point and a total heat
loss or two arbitary temperature points within the same sheet. From these inputs the
program can calculate either the temperature profile or the total heat loss. The
temperature profile (profiles) can then be plotted graphically.
The main workbook is very similar to Excel-type worksheets in terms of the properties
that can be found in the menu and also most of the Excel worksheet functions are
available.
The new Heat Loss module may be used, for example, to estimate heat loss values
needed in the Balance module. The user must first specify the column types, which can be
Laye r, Laye r contact, Surface and Enclosure . The thickness must be specified for
Laye r and Enclosure columns, while Laye r contact and Surface columns have zero
thickness. Two basic types of calculations may be carried out:
1. Te mpe rature profile with fixed heat loss and one temperature point.
2. He at Loss with two fixed temperature points. This will return the heat loss but also
the temperature profile.
The calculation routine handles conduction, convection and radiation properties as
functions of temperature but fixed values may also be used by selecting the value and
pressing the Fix Value button. These fixed values are shown in red on the calculation
sheet.
Temperature profile as well as some other user specified values may also be presented in
graphical form. Target dialog may be used to find, for example, minimum layer thickness.
The calculation specifications may be saved to files for later use.
1. Se le ct ge ome try.
To select the choice of geometry, click on the desired option button in the frame
Shape and Dime nsions. The available options are wall, cube, cylinder and sphere.
It is highly recommended to start the calculations with a simple wall case and
then to continue with more complicated shapes later.
2. Se le ct dime nsion.
When selecting the geometry, appropriate dimension textboxes automatically pop
up. The dimensions are always inner dimensions.
3. Inse rt ne w column.
The user may specify the layout of the heat transfer object by selecting Inse rt
from the menu bar and then the desired column type. There are four types of
columns: Surface , Enclosure , Laye r and Laye r contact. Surface columns must
be inserted to the left and/or to the right of the other columns. Enclosure columns
must be inserted between two Laye r columns. Finally Laye r contact, Enclosure
and Laye r columns must all be inserted between Surface columns.
4. Spe cify he at transfe r type .

You can select the type of heat transfer to study in two ways: either manually or
using the database.
Manually:
1. Write the name of the material/gas/liquid on the second row of the table in the

current column.
2. Select the desired heat transfer factor:
− Layer column: Enter the mean conductivity for the material (k) on row 6.
− Surface column: Enter the convection and/or the radiation coefficient
(hc and/or hr) on row 7 and/or row 8. It is also possible to specify the
emissivities and/or absorptivities on rows 20-23, in this case please make sure
that the radiation coefficient is unfixed.
− Layer contact column: Enter the thermal resistance on row 11.
− Enclosure column: Enter the convection coefficient on row 7 and/or the
radiation coefficient on row 8. It is also possible to specify the emissivities on
the adjacent layer columns, in this case please make sure that the radiation
coefficient is unfixed.
3. For each value entered press the Fix Value button, unless the value is already
fixed. By doing this the program will use these given values, indicated by a red
font, when calculating instead of the database values.
Using the database:

1. Press the corresponding button in the frame Ge t Data for Column:
− Layer column: Conduction button.
− Surface column: Convection or Radiation button.
− Enclosure column: Convection or Radiation button (radiation for adjacent
layer columns).
− To specify the desired material/gas/liquid, place the cursor on top of it and
press Se le ct. Now the data for the material will be transferred automatically
to the column on the main sheet where the cursor is located. Note that
sometimes several database sheets are available, for example the convection
table or function sheet. You will know that the data has been transferred
from the database sheet to the calculation sheet, once the selected material
name appears on the material name rows 2 or 3.
5. Spe cify thickne sse s.

Type the Thick ness x on row 4 for every Laye r and Enclosure column. Surface
and Laye r contact columns have zero thickness.
6. Re pe at ste ps 3, 4 and 5 until the de sire d layout is achie ve d.
7. Calculate re sults.
To calculate results for a cylinder or cube, first select whether to calculate all
sheets or just the active sheet, by pressing the appropriate option button in the
Calculate frame. By, for example, calculating only the wall sheet of a cylinder,
pipe calculations can be obtained. The two basic calculation types are:
Temperature Profile (press the Te mpe rature profile button):

− Specify the total heat loss by selecting the appropriate unit (W, kW or MW) and
by typing the heat loss in the textbox.
− Specify one fixed temperature point by the cursor.
− For cube or cylinder geometry, specify calculation range by selecting either
Calculate all she e ts (calculates all walls) or Calculate active she e t

(calculates active wall) from the option buttons.
− Note that when calculating all sheets, the temperature profiles will be iterated so
that the temperatures in the first columns (inside temperatures), as well as the
outside temperatures, are the same for all sheets.
Heat Flow (press the He at flow button):

− Specify temperature points using the cursor.
− 0 or 1 point selected (by cursor position): The whole range will be calculated.
− Cube or cylinder geometry: Specify calculation range by selecting either
Calculate all she e ts (calculates all walls) or Calculate active she e t
(calculates active wall).
− All sheets will have the same inside and outside temperatures as on the
current sheet, once the calculation is completed.
− 2 points selected (by selection): The range between these points will be
calculated.
− Cube or cylinder geometry: The other sheets will not be calculated.
− The end temperature points in the selection will remain constant.
8. Pre ss the Draw Diagram button for a graphical plot of the te mpe rature profile .
12.2 Heat Loss Examples
12.2.1 Example s provide d by HSC
See the examples provided by the HSC package by selecting File /Ope n from the menu
and selecting the appropriate file (examples exist in \HSC5\Heatloss -folder).
1. Simple Case with fixe d conduction and conve ction value s

(Simple Case .HTR)
In this example the furnace wall is made of two layers, the inside temperature is
700 °C and the outer surface is cooled with air (20 °C). The conduction and
convection values are fixed. In this case the heat flow through each layer and
through the surface may easily also be calculated manually:
Firebrick: 1.5 m2 * (700 - 418 °C) * 0.4 W/(mK) / (0.23 m) = 735 W

Silica brick: 1.5 m2 * (418 - 50.63 °C) * 0.2 W/(mK) / (0.15 m) = 735 W
Air: 1.5 m2 * (50.63 - 20 °C) * 16 W/(m2K) = 735 W
2. Radiator he at (Radiator.HTR-file )
This example calculates the heat output of a radiator at room temperature (20 °C)
and at three different water temperatures, when the water flow to the radiator is
zero. Select the appropriate sheet according to the inside water temperature (40 °C,
50 °C or 60 °C) and press the He at flow button to view changes in the output heat.
Adjustments can also be made to the width or length (height for a vertical wall) of
the radiator to examine what influence this has on the result.
Figure 2: Radiator calculation example.


3. He at loss from uninsulate d pipe at constant T (incrope ra94_503.HTR file )
This is an example taken from Fundamentals of Heat and Mass Transfer by F. P.
Incropera and D. P. DeWitt (page 503 in the 4th edition) /1/. In this example the
heat loss from an uninsulated horizontal pipe is calculated with knowledge of the
surface temperature (165 °C) and the air temperature (23 °C).
4. He at loss from insulate d pipe at constant T (incrope ra94_504.HTR file )

Example 3 above is extended by insulating the pipe with a 25 mm thick urethane
layer. Notice how the heat loss decreases significantly.
5. He at loss from a hot wate r tank (Hotwate rtank.HTR file )

This example is a calculation of heat loss from a hot water tank. By specifying the
materials, dimensions, geometry, water and air temperatures; the total heat loss for
the tank can be calculated. The insulation thickness can easily be increased
separately for the top, wall and bottom sides, in order to lower the heat loss from
the tank.
Figure 3: Temperature profiles for the hot water tank .
6. Oil furnace (OilFurnace .HTR file )

In this example the heat flow due to hot flue gases and internal convection in a
furnace is calculated. The flue gas composition can be seen from the Gas Mixture
Radiation dialog by pressing the Radiation (gas) button. The gas contains the

following radiating species: H2O(g) 11.08 vol-%, CO2(g) 11.69 vol-% and SO2(g)
0.05 vol-%. This is a typical flue gas composition for fuel oils. The gas temperature
is 1200 °C and the wall temperature is 500 °C. The wall surface material is “Steel
(sheet with sk in due to rolling)” and the convective gas is approximated as “Air
(p = 1 bar)”. These can both be found from the database. There is a 10 mm thick
“Plain carbon steel” layer surrounding the furnace. It is important to insert a
Laye r or a Laye r contact column to the right of the Surface column, in order to
calculate internal radiation (or convection), since the program otherwise assumes
outside radiation (or convection). By entering a very low thickness value for the
Laye r column (row 4), or by entering zero thermal resistance for the Laye r
contact column (row 11), the inside surface temperature may still be used in the
Laye r or Laye r contact column.
7. Re actor he at loss calculation (Re actor1.HTR and Re actor2.HTR)

In this example the total heat loss of a reactor is estimated. The given input data are
the dimensions of the reactor, the surface temperature and the surrounding
temperature (room temperature). The surface material in the Reactor1 example is
“Steel (sheet with rough oxide layer)” and in Reactor2 “Paint, white (acrylic)”.
The convective gas is “Air (p = 1 bar)” in both examples. Since the surface
emissivity is lower in Reactor2, the heat loss is smaller.
8. Sme lting re actor calculation (Sme lting1.HTR, Sme lting2.HTR and

Sme lting3.HTR file s)
In this example the temperature profiles and heat losses of three different types of
smelting reactors are calculated. The default input values given in this example
have not been taken from any specific reactor type, however the input values may
easily be changed in order to achieve a more realistic situation.
12.2.2 Simple Ste p-by-ste p Example (cre ating Sme lting1.HTR)
The following steps describe how to create the Smelting1.HTR example from the very
beginning. The final example can be used to approximate heat losses through a smelting
reactor wall. The temperature profiles for different inside temperatures can be plotted
using the Draw Diagram button.
1. Select File /Ne w from the menu.
2. Select Inse rt/Surface column and press the Conve ction button.
3. From the Convection window (to the left), select the Function sheet.
4. Select Wate r, Coppe r e le me nts cooling by moving the cursor to row 10.
5. Press the Se le ct button.
6. Select Inse rt/Laye r column in the main sheet and press the Conduction button.
7. Type REXAL 2S EXTRA in the yellow textbox in the Conduction window and press
the Find button. The cursor will now automatically move to the correct position in the
database.
9. Type 1 as the layer thickness on row 4 in the main window.
10. Select Inse rt/Surface column and press the Conve ction button.
11. Select the Function sheet from the Convection window.

12. Select Molte n me tal by moving the cursor to row 4.
13. Click the Force d Conve ction option button and type 0.02 (= 2 cm/s) in the speed
textbox.
15. Type 1200 as the inside temperature in cell C9 and 20 as the outside temperature in
cell E10.
16. Press the He at loss button.
Heat Loss will now calculate the total heat loss from a 1x1 m square of the reactor wall.
The inside and outside convection coefficients, calculated from the Function sheet, are
based on generalized empirical data. They can, however, be used up to a reasonable
accuracy for sme lting re actor walls with corre sponding cooling me thods. The
temperature profile may be plotted graphically by pressing the Draw Diagram button.
The following procedure describes how it is possible to compare several temperature
profiles within the same diagram.
1. Select Inse rt/Wall she e t from the menu twice. Two copies of the reactor wall are
created.
2. Select Wall2 sheet and type 1400 as the inside temperature (cell C9).
4. Select Wall3 sheet and type 1600 as the inside temperature (cell C9).
6. Press the Draw Diagram button.
Now the temperature profiles for three different inner temperatures (1200 °C, 1400 °C
and 1600 °C) are plotted. After modifying the diagram labels and their positioning, the final
diagram might look similar to the enclosed diagram (Figure 4). The setup should now also
be similar to that of the Smelting1.HTR example.
Figure 4: Temperature profiles for Smelting1.HTR calculation example.

12.3. Detailed Description of the Program

12.3.1 Using the Fix Value Button and the logic be hind it
Once the Fix Value button is activated the user is able to fix values manually to make
these a direct input for the calculation. A fixed value is indicated by re d font and the
caption on the button changing to Unfix Value . If, for example, the user wishes to specify
the convection coefficient hc directly, the specified value must be fixed (and the fluid
name typed manually), otherwise the program will iterate the value using the database for
the selected fluid. The program will always first look for fixed values and if the value is
unfixed then it will use iterative methods and the databases. In the end the iteration result
will be returned to the cell, for example the hc -value. Using fixed values significantly
improves the calculation speed, however these values are not always available. As a rule
of thumb, the accuracy of the result will improve if it is possible to accurately specify and
fix values, for example the convection and the radiation coefficients. The cells on rows
6-8 and 20-23 can be fixed, as well as row 11 if the column is of Laye r contact type.

12.3.2 Main Window
Figure 5: Main window layout.

1. He adings are a
This is the headings area and it cannot be altered, except for the second and third
row if the material is user-specified.
2. Calculation are a
The main inputs are entered in this area, with the thickness of a layer or enclosure
column being mandatory. The surface area row is automatically calculated from the
geometry and layer thicknesses.
3. Te mpe rature inputs/re sults

In this area the temperature points are entered. In order to calculate the
temperature profile one temperature point must be specified. In order to calculate
the heat loss two points must be specified. For three-dimensional objects (cube and
cylinde r), the user can select Calculate all she e ts (calculate the whole object
simultaneously) or Calculate active she e t (calculate only the active wall), by
selecting the appropriate option button from the Calculation frame. It is also
possible to select a calculation area by selecting a temperature range with the
mouse. In this case only the range within this selection will be calculated. An
example of this would be to select the range between C9 and F10 in figure 5.
4. De taile d information
Here you can find more detailed information about the setup. If more precise layer
calculations are required, the Calculation grid (row 13) value may be changed. By
default this is set to 10, i.e. the layer is divided into 10 elements. Note that the
calculation time increases with an increasing grid size. Spe e d (row 16) indicates
the speed of the fluid for forced convection. If this is zero, free convection is
assumed. The minimum and maximum te mpe rature s (rows 17-18) give the valid
range for a certain material; N/A indicates that the limit is not available from the
database. If a temperature point in the calculation result exceeds one of these
points, it will be indicated by a warning message box.
5. Available data (frame )
These buttons are enabled/disabled depending on the column type the cursor is
placed on.
Conduction: Layer column
Conve ction: Surface column or Enclosure column
Radiation (surface ): Surface column or Layer column (adjacent to an Enclosure
column only)
Radiation (gas): Surface column, left of a Layer or Layer contact column
(internal radiation)
Radiation (particle s): Surface column, left of a Layer or Layer contact column
(internal radiation)
6. Ge ome try input
The option box selects the geometry and the appropriate dimension textboxes. Note
that when changing from a wall or sphe re (one sheet calculations) to a cube or
cylinde r (one or multiple sheets calculations) the wall sheet will be copied to the
joining sheets of the cube or cylinder. This is useful if all walls consist of the same
materials, since the user thus only has to specify the layout of one wall and then
change to the correct geometry. The Draw button draws a simple drawing of the
current geometry.
7. He at loss input/re sult
This can be used both as input or output data. If calculating the temperature profile
the total heat loss must be entered here, but when calculating heat loss, this can also

be used as a starting approximation to achieve faster calculations. The starting
approximation has a maximum value of 10 MW. If a higher value is specified, the
maximum value is simply inserted in the textbox by default.
8. Radiation inputs/re sults
Rows 30-349 consist of Convection and Conduction data and rows 350- of
Radiation data. These are automatically collected from the database sheet when
pressing the Se le ct button and these should not be changed.
12.3.3 Conduction Database
Figure 6: Thermal Conduction database window.
The conduction database can be edited by selecting Edit/Conduction Database from the
menu bar. Since the files are of XLS type you can also edit them directly from Excel. It is
important to notice that when editing or adding new materials it is very important to follow
the same pattern and syntax as the rest of the table. Temperature units can be entered in
either K or °C and the program will automatically calculate accordingly. The maximum
and minimum temperatures are available in column A and are always given in Kelvin. This
window is used when selecting the layer material by pressing the Conduction button.


12.3.4 Conve ction Database , Table she e t
Figure 7: Thermal Convection database window, Table sheet.
The convection database can be edited by selecting Edit/Conve ction Database from the
menu bar. Since the files are of XLS type you can also edit them directly from Excel.
Temperature units available are K and °C. The density is not a key requirement, although
it can be used in order to calculate the other properties. If the thermal expansion
coefficient is not given, the program will assume that the material is an ideal gas and
calculate the coefficient as β = 1/T∞ . The maximum and minimum temperatures are in
the hidden column A and are always given in Kelvins. This window is used when selecting
the surface or enclosure material and pressing the Conve ction button.

12.3.5 Conve ction Database , Function she e t
Figure 8: Thermal Convection database window, Function sheet.
The function sheet can be used for special cases of forced convection. For example, the
Molte n me tal selection is an approximation of hc based on a polynomial function of the
speed of the molten metal inside a smelting reactor. The database uses a function of the
type hc (v) = Avâ+Bv^b+…+Gv^g where v is [m/s]. The coefficients (A-G) are located
between column E and K and the exponents (a-g) in the cells directly underneath these.
This sheet can also be used if the convection coefficient is considered constant: simply
type the constant value in column E and a zero underneath. This is shown in rows 6, 8 and
10.
For a wall or cylinder it is possible to specify an angle of 0° or 90°, which means either a
horizontal or a ve rtical object. When selecting the Force d Conve ction option button, a
textbox for the fluid/gas speed appears under the option buttons.

12.3.6 Surface Radiation Database
Figure 9: Thermal Radiation database window.
The radiation database can be edited by selecting Edit/Radiation Database from the
menu bar. Since the files are of XLS type you can also edit them directly from Excel.
Temperature units available are K and °C. An (n) after the material indicates that the
emissivities are normal emissivities and an (h) indicates that they are hemispherical
emissivities. Note that the emissivity for a material can vary a lot depending on the
surface, for example, a polished surface emits much less radiation than an unpolished one.
This window is used when selecting the surface material and pressing the Radiation
button.

12.3.7 Gas Mixture Radiation Calculator
Figure 10: Thermal radiation from a gas mixture.
Using this window it is possible to calculate the gas emissivity and absorptivity by
specifying the volume fractions (indicated by a red font), pre ssure , gas te mpe rature
and surface (wall) te mpe rature . If the object is a cube, cylinder or sphere the optical
de pth is automatically calculated accordingly, although it can still be changed in the
textbox. See Table 1 for examples of optical depths for simple geometries.
The Calculate button calculates using the specified inputs. The Gas sheet shows the
detailed results for the gas emissivity at the gas temperature and the Wall sheet shows the
detailed results for the gas absorptivity at the wall temperature.
There are two ways of using the results from the calculation in the main sheet:
Se le ct at fixe d T: By selecting this the gas temperature, surface temperature and surface
emissivity will be used directly in the main sheet. This is a fast way of calculating if the
gas and surface temperatures are k nown.
Se le ct ite rative : By selecting this the program iterates emissivity and absorptivity values
in the range 0 °C – 3000 °C for every 50 °C step. The results are transferred to the main
sheet for use in iterative calculations. Outside this range the values will be extrapolated.
This is useful when the gas temperature and/or surface temperature are unk nown.

12.3.8 Particle Radiation Calculator
Figure 11: Particle radiation window.
Using this window it is possible to calculate a particle cloud emissivity when some detailed
data about the particles and the geometry of the container are known. The results can also
be used at a fixed T or iteratively as in the Gas Mixture Radiation dialog. The Diagram
button shows a simple drawing of a particle distribution in the container. The Gas
emissivity at gas temperature and the gas absorptivity at surface temperature are
automatically taken from the Gas Mixture Radiation dialog when available.

12.3.9 Targe t Calculations (Targe t Dialog)
Figure 12: Target Dialog window.
The Targe t Dialog extends the calculation possibilities of Heat Loss. For example it is
possible to calculate the required insulation thickness to achieve a certain heat loss or, as
the example in Figure 12, the required width of a radiator to achieve a heat loss (in this
case heat output) of 0.5 kW. The following step-by-step procedure describes how the
Target dialog can be used for this iteration.
1. Open the file Radiator.HTR from the Hsc5\He atLoss directory.
2. Select Targe t/Targe t Dialog from the menu.
3. Choose Width from the drop-down box in the Variable value frame.
4. Press Se t variable , which sets the width of the radiator as the variable value.
5. Choose He at flow from the drop-down box in the Targe t value frame.
6. Press Se t targe t, which sets the Heat loss of the radiator (heat output) as the target
value.
7. Choose Calculate He at flow (calculation method) from the drop-down box in the
Ite ration frame.
8. Write 1 in the Min column, 10 in the Max column and 0.5 in the Value column. This
specifies the minimum and maximum widths and the goal value for the heat loss (heat
output).
9. Press Ite rate Se le cte d Rows, which calculates the required width for a heat output
of 0.5 kW. The required width of the radiator is 5.747 m, as can be seen from the
main window.
If the Workshe e t ce ll option in a drop-down box is selected, any worksheet cells in the
main window may be used as either a variable or target value. An example of this could

be to iterate the required thickness of a layer (row 4) in order to achieve a certain heat
loss.
12.3.10 Use r-spe cifie d Diagrams (Diagram Dialog)

Instead of only iterating a certain goal value, the Diagram Dialog may be used for
graphically plotting the whole range. In the example below (Figure 13), the influence of
the inside water temperature on the heat flow (in this case the radiator heat output), is
shown. Step-by-step the diagram may be achieved in the following manner:
1. Open Radiator.HTR from the Hsc5\He atLoss directory.
3. Select Workshe e t ce ll from the drop-down box in the X-value frame.
4. Move to cell C9 in the main window (inner temperature) and press Se t X value in the
dialog box.
5. Select He at loss from the drop-down box in the Y-value frame and press Se t Y1
value .
6. Select Calculate He at loss from the drop-down box in the Diagram frame.
7. Type 90 in the MAX textbox and 5 in the STEP textbox. This means that the inner
temperature will range from 30 °C to 90 °C calculated every 5 °C. The dialog box
should now look similar to Figure 13.
Figure 13: Diagram dialog window. Specifying the diagram.
8. Press Diagram.
9. In the Diagram Table window, it is possible to specify properties in detail. However,
if this is not necessary just press Diagram here too. The resulting diagram is shown in
Figure 14.
Figure 14: Diagram showing the influence of the inside temperature on the radiator heat output.
Another useful diagram would be to study the optimum insulation thickness of a cylinder
geometry (for example a pipe or a cylindrical tank). An optimum thickness is available due
to an increasing outside surface area, thus increasing convective and radiative heat loss.
The following step-by-step instructions show how this diagram may be created:
1. Open Hotwate rtank.HTR from the Hsc5\He atLoss directory.
3. Select Workshe e t ce ll from the drop-down box in the X-value frame.
4. Move to cell E4 in the main window (urethane insulation thickness) and press Se t X
value in the dialog box.
5. Select He at loss from the drop-down box in the Y-value frame and press Se t Y1
value .
6. Select Calculate He at loss from the drop-down box in the Diagram frame.
7. Type 0.2 in the MIN textbox, 0.5 in the MAX textbox and 0.02 in the STEP textbox.
This means that the insulation thickness varies from 0.2 m to 0.5 m and is calculated every
0.02 m.
8. Press Diagram. Notice that the calculation time may be significant on slow computers.
9. Press Diagram again in the Diagram table window. The final diagram should look
similar to Figure 15. The theoretical optimum insulation thickness is now roughly 33 cm.
Figure 15: Diagram showing the theoretical optimum side wall insulation thick ness for a
cylindrical hot water tank .
12.3.11 Limitations
The current version of Heat Loss has some limitations, some of which are listed below.
- The maximum number of calculation sheets for the wall and the sphere is ten, for
the cube four and the cylinder three. It is possible to insert up to 255 own sheets.
- Inaccuracy increases with thick walls for the cube and cylinder, since the roof and
bottom layers are “stretched” to overlap the walls. Please use surface columns only
if the outer surface temperature is known, see examples Reactor1.HTR and
Reactor2.HTR.
- If minimum and/or maximum temperatures are not entered into the database, or
directly on the sheet on rows 17 and/or 18, then the extrapolated heat transfer
coefficients (k, hc and hr) may be inaccurate.
- The convection correlations are not valid for all ranges and the results cannot be
trusted outside these ranges. Detailed specifications of the valid ranges are given in
Chapter 12.4.
- Inaccuracy increases with convection for small geometries.

- Forced convection cannot be used for internal calculations (gas/liquid to surface)
with a cube, cylinder and sphere, since the correlations are only valid for forced
external convection. Instead the heat convection coefficient hc must be specified
manually or using the Function sheet in the Conduction Database .
- If only surface columns are given for a cube, cylinder or sphere, then external
convection is assumed.
- If the speed of a fluid is very low and the Table sheet is selected as input, the
combined free and forced convection plays an important role, however this is not
taken into account in this module.
- Radiation from a surface to the surroundings (or vice versa): the surface is
considered gray and diffuse, that is α(Τ) = ε (Τ) only, this is however a valid
approximation for most cases.
- Radiation emissivities for surfaces in the database are given as either normal (n) or
hemispherical (h).
- The minimum temperature is –200 °C and the maximum is 8000 °C, however data
for extreme temperatures such as these are seldom available.
- Sometimes the program is not able to iterate the answer correctly. If this happens
try using a different starting heat loss (better starting approximation) and
recalculate. Make sure that the minimum or maximum temperature is not exceeded.
- When calculating temperature profiles it is advised to fix the outer (cooler)
temperature and let the program calculate the inner temperature. The reverse
selection may easily lead to temperatures lower than 0 K if the heat loss specified is
too high.
12.4. Basic Theory behind Heat Transfer
This chapter explains the basic theory of heat transfer used by the module. The equations
and theory given are utilized within the program.
The total heat flow in one dimension (x) is
q x = q 'x' A , [1]
where q 'x' is the heat flux and A is the unit area. It is often practical to use an analogy
between heat transfer and Ohm’s law in electricity. The thermal resistance is defined as
T1 − T2
R= , [2]
qx
where T1 and T2 are the temperature points and qx is the heat flow. The thermal
conductance is then
1
G= , [3]
R
where R is the thermal resistance.
Time-dependent heat flows, where qx = q(x, t), and steady-state non-time-dependent

heat flows qx = q(x) are two basic ways of identifying heat transfer problems. This
program is concerned only with steady-state non-time-dependent conditions, which means
that the condition is valid for infinite t.
A number of dimensionless parameters are used in this chapter. Some of them are only
material-specific and can be listed in a table, while others are geometry-specific or directly
related. Equations [4] to [7] show the most important ones.
The thermal diffusivity is defined as
k
α= , [4]
cp ρ
where k is the thermal conductivity, cp is the heat capacity at constant pressure and ρ is
the density.
The k inematic viscosity is defined as
µ
ν= , [5]
ρ
where µ is the dynamic viscosity.
The Prandtl number describes the ratio of the momentum and thermal diffusivities. This
is defined as
ν
Pr = , [6]
α
where ν is the kinematic viscosity and α is the thermal diffusivity.
The thermal expansion coefficient is defined as
1 ⎛ ∂ρ ⎞ 1 ∆ρ
β =− ⎜ ⎟ ≈− , [7]
ρ ⎝ ∂T ⎠ p ρ ∆T
where p denotes the derivative at constant pressure.
In order to calculate the heat flux, it must be separated into the three main forms:
conduction, convection and radiation. A more detailed description of these forms will
be given in the following chapters.

12.4.1 Conduction
Heat transfer due to conduction occurs between points inside a material or materials
connected to each other. Thermal conductivity is very dependent on the phase the
material is in and on the temperature of the material/materials. Therefore accurate
calculations with a simple non-iterative formula are sometimes impossible. The use of a
numerical technique such as an element method can be applied in order to achieve more
accurate results.
The conduction heat flux for one dimension (Fourier’s law) is calculated as
dT
q x'' = − k , [8]
dx
where dT/dx is the temperature derivative in x-direction. The function k = k(T) is

generally not expressed the same way as the heat capacity function cp = c p(T), which is a
fitted equation in other parts of HSC, i.e. the Kelley equation. Instead the values of k are
known at certain temperature points and linear interpolation and extrapolation may be used
for temperatures outside these points. When calculating the heat flux (or flow) the
distance between the two temperature points is divided into a grid. Hence we can
calculate the heat flux by using the following approximate equation that calculates the
average heat flux through a layer
m
− ∑ k n ⋅ (Tn +1 / 2 − Tn −1 / 2 )
q x'' = n =1
m
, [9]
m ⋅ ∑ ∆x n
n =1
where kn = kn (Tn) is the heat conduction coefficient at Tn (middle of the grid), m is a

grid step (the amount of steps the distance x is divided into), n is the point in the middle of
one grid step, Tn+1/2 is the temperature point between grid n and grid n+1, Tn-1/2 is the
temperature point between grid n and grid n-1 and ∆xn is the thickness of the grid.
In order to be able to calculate other geometries, the shape factor S in the total heat rate
equation q = q x A = Sk∆T is defined for different geometries according to equations [10]
''
to [12].
For one-dimensional plane walls and for cube walls, S is defined as
S = A/ x , [10]
where A is the unit area for the layer and x is the thickness of the layer.
For cylindrical walls (cylindrical coordinates), S is defined as


2πh
S= , [11]
ln ( x o / xi )
where h is the height of the cylinder, xo the outer radius of the layer and xi the inner
radius of the layer.
For spherical walls (spherical coordinates), S is defined as
4πxi xo
S= . [12]
xo − xi

12.4.2 Conve ction
Heat transfer due to convection occurs between two points, where one is on a surface
and the other in a fluid/gas. Convection cannot normally be solved mathematically except
for some laminar cases. Therefore convection calculations are mostly based on empirical
equations or correlations and the uncertainty, or the margin of error in these calculations
can be as high as ±20%. In the literature these correlations can also vary and the validity
of the result is mostly limited to some range of one or more thermophysical properties of
the fluid/gas. The correlation equations used in the program are taken from references /1/
and /2/.
The heat flux due to convection is calculated as
q' ' = hc (Ts − T∞ ) ,

[13]
where hc is the convection coefficient, Ts is the surface temperature and T∞ is the

fluid/gas temperature. The mathematical models for hc , based on experimental data, are
given in dimensionless form using the Nusselt number, which is defined as
hc L
Nu L = , [14]
k
where L is the characteristic length for the prescribed geometry.
The Nusselt number can be related through empirical data to other properties of the
convective gas/fluid. These properties are normally temperature and pressure dependent,
hence the film temperature, Tf = (Ts+T∞ )/2, should be used when determining these
properties. The task is then simply to describe the problem as accurately as possible and
to select the appropriate correlation. Using equation [14] and the appropriate correlation
equation the value of hc can be calculated. The correlations depend on whether forced or
free (natural) convection is studied. In forced convection the motion of the fluid is due to
an external pressure gradient caused by a fan or a pump. In free convection the fluid
motion is due to buoyancy forces only, such as gravitational or centrifugal forces. In some
forced convection cases when the speed of the fluid is low there is a mixture of forced
and free convection called mixed convection, however this is not taken into account in
this work. See 3.11 Limitations for a more detailed description of when mixed convection
conditions are noticeable.
Convection can also be subdivided into internal and external flow, which means that the
fluid is either contained inside an enclosure or flowing freely outside a geometry. Flow in
pipes is an example of a forced internal flow that has been studied thoroughly. Forced
internal flow is more difficult to examine due to, for instance, the influence of centrifugal
forces inside reactors. The convection coefficient are also dependent on the way the fluid
is put into motion, for example, different types of propellers give different coefficients. In
some cases simple experimental correlations for the convection coefficient in the form
hc = hc (u∞ ) may be used. External flow has also been studied extensively and listed

below are the different correlations, which may be used for different cases. Note that for
a plane wall the internal convection is equivalent to the external convection.
Free convection
The correlation describing the nature of the flow for free convection is called the
Rayleigh number and is defined according to
gβ (Ts − T∞ ) L3
Ra L = ,
να
[15]
where g is the acceleration due to gravity and β the thermal expansion coefficient.
Sometimes the Grashof number, which describes the ratio of buoyancy forces to viscous
forces, is used in correlations and is defined as
gβ (Ts − T∞ ) L3 Ra L
GrL = = [16]
ν 2
Pr
A description of how to calculate the free convection Nusselt number, defined in equation
14, for different geometries is explained below.
Wall, ve rtical position θ v = 0° /1/:
• Surface:
• Characteristic length: L = z
• Laminar flow (Ra L < 109):
0.670 Ra 1L/ 4
Nu L = 0.68 + [17]
[1 + (0.492 / Pr ) ]9 / 16 4 / 9
• Turbulent flow (Ra L ≥ 109):

2
⎧⎪ 0 . 387 Ra 1L / 6 ⎫⎪
Nu = ⎨ 0 . 825 + ⎬ [18]
[ ]
L 8 / 27
⎪⎩ 1 + ( 0 . 492 / Pr) 9 / 16 ⎪⎭
• Enclosure:
• Characteristic length: L = thickness of wall enclosure
• H = z (height of enclosure)
• H/L ≤ 2:
0.29
⎛ Pr ⎞
Nu L = 0.18⎜ Ra L ⎟ [19]
⎝ 0.2 + Pr ⎠
• Valid when:
1 < H/L < 2
10-3 < Pr < 105
103 < (Ra LPr)/(0.2+Pr)
• 2 < H/L < 10:

0.28 −1 / 4
⎛ Pr ⎞ ⎛H⎞
Nu L = 0.22⎜ Ra L ⎟ ⎜ ⎟
⎝ 0.2 + Pr ⎠ ⎝L⎠
[20]
• Valid when:
2 < H/L < 10
Pr < 105
103 < Ra L < 1010
• H/L ≥ 10:
− 0. 3
⎛H ⎞
Nu L = 0.42 Ra 1/ 4
L Pr 0.012
⎜ ⎟
⎝L⎠
[21]
• Valid when:
10 < H/L < 40
1 < Pr < 2·104
104 < Ra L < 107
Wall, horizontal position θ v = 90° /1/, /2/:
• Surface:
• Characteristic length: L = A/P, i.e. the surface area divided by the perimeter
• Hot upper surface or cold lower surface:
Nu L = 0.27 Ra 1L/ 4
[22]
• Cold upper surface or hot upper surface:
• Ra L < 107:
Nu L = 0.54 Ra 1L/ 4
[23]
• Ra L ≥ 107:
Nu L = 0.15Ra1L/ 3
[24]
• Enclosure:
• Characteristic length: L = thickness of wall enclosure
• Hot lower surface:
• Ra L ≤ 1708:
Nu L = 1 (pure conduction)
• Ra L > 1708:
Nu L = 0.069 Ra 1L/ 3 Pr 0.074

[25]
• Valid when:
3·105 < Ra L < 7·109
• Cold lower surface:
• Nu L = 1 (pure conduction)
Cube /1/:
• Surface:
• Internal flow:
• Characteristic length: L = zi
• Nusselt number according to equation [17] or [18] for all walls
• The flow is assumed to cool down at the walls (downflow), thus creating
a circulating flow with an upflow through the center of the cube.
• Not valid for small cubes
• External flow:
• Cube walls:
• Characteristic length: L = zo
• Nusselt number according to equation [17] or [18]
• Roof and bottom:
• Characteristic length: L = A/P, i.e. the roof/bottom surface area
divided by the perimeter
• Nuroof and Nubottom according to equation [22], [23] or [24]
• Enclosure:
• Same as for wall depending on horizontal or vertical cube enclosure
Cylinde r, ve rtical θ v = 0° /1/:
• Surface:
• Internal flow:
• Nusselt number according to equation [17] or [18] for wall, roof and
bottom
a circulating flow with an upflow through the center of the cylinder
• Not valid for small cylinders
• External flow:
• Cylinder wall:
• Characteristic length: L = zo
• Valid when:
D / L ≥ 35 /( Ra L / Pr)1 / 4
• Characteristic length: L = A/P = D/4, i.e. the surface area divided by
the perimeter
• Nuwall according to equation [17] or [18]

• Nuroof and Nubottom according to equation [22], [23] or [24]
• Enclosure:
• Approximated as vertical wall enclosure
Cylinde r, horizontal θ v = 90° /1/:
• Surface:
• Internal flow:
• Characteristic length: L = Di
• Nusselt number calculated according to equation [17] or [18]
a circulating flow with an upflow through the center of the cylinder
• Not valid for small cylinders
• External flow:
• Cylinder wall:
• Characteristic length: L = Do
2
⎧⎪ 0.387 Ra 1D/ 6 ⎫⎪
Nu D = ⎨0.60 + 8 / 27 ⎬
⎪⎩ [
1 + (0.559 / Pr) 9 / 16 ] ⎪⎭
[26]
• Valid when:
Ra D ≤ 1012
• Characteristic length: L = ro π , i.e. square with same area
• Nuroof and Nubottom according to equation [17] or [18]
• Enclosure:
• Characteristic length L = thickness of cylinder enclosure
• hc calculated directly, not through the Nusselt number (NuL)
Ra *c =
[ln(Do / Di )]4 Ra L
(
L3 Di−3 / 5 + Do−3 / 5 )
5
[27]
• Ra c * < 100:
k
hc =
ln(Do / Di ) ⋅ Di / 2
[28]
• Ra c * ≥ 100:
1/ 4
⎛
k eff = 0.386⎜
Pr ⎞
⎟ (Ra )
* 1/ 4
⋅k
⎝ 0.861 + Pr ⎠
c
[29]
k eff
hc =
ln(Do / Di ) ⋅ Di / 2

[30]
• valid when:
102 ≤ Ra c * ≤ 107
Sphe re /1/:
• Surface:
• Internal flow:
a circulating flow with an upflow through the center of the sphere
• Not valid for small spheres
• External flow:
0.589 Ra1D/ 4
Nu D = 2 +
[1 + (0.469 / Pr) ] 9 / 16 4 / 9
[31]
• Valid when:
Ra D ≤ 1011
Pr ≥ 0.7
• Enclosure:
• Characteristic length: L = thickness of the sphere enclosure
• hc calculated directly, not through the Nusselt number (NuL)
L Ra L
Ra*s =
(Do Di ) 4
(Di
−7 / 5
+ Do−7 / 5 )5
[32]
• Ra s* < 100:
Di Do
hc = kπ
L
[33]
• Ra s* ≥ 100:
1/ 4
⎛
k eff = 0.74⎜
Pr ⎞
⎟ (Ra )
* 1/ 4
⋅k
⎝ 0.861 + Pr ⎠
s
[34]
Di Do
hc = k eff π
L
[35]
• Valid when:
102 ≤ Ra s* ≤ 104


Forced convection
Forced convection is here assumed to be external only. The correlation number

describing the nature of the flow for forced convection is called the Reynolds number,
which describes the ratio of inertia forces to viscous forces of a flow and is defined as
u∞ L
Re L =
ν
[36]
where u∞ is the speed of the fluid/gas. Note that the direction of the flow is assumed to
be horizontal in this program and that forced convection inside enclosures is not taken
into consideration.
Wall /1/:
• Laminar flow, Re L ≤ 5⋅105:
Nu L = 0.664 Re 1L/ 2 Pr 1 / 3
[37]
• Valid when:
Pr ≥ 0.6
• Turbulent flow (flow separation), ReL ≥ 5⋅105:
Nu L = (0.037 Re 4L / 5 − 871) Pr 1 / 3
[38]
• Valid when:
0.6 ≤ Pr ≤ 60
5⋅105 ≤ Re L ≤ 108
Cube /1/:
• Tangential horizontal flow on all sides assumed

• Cube walls:
• Characteristic length front and back wall: L = xo
• Characteristic length left and right wall: L = yo
• Nusselt number calculated as [37] or [38]
• Characteristic length: L = yo
Cylinde r /1/:
• Cylinder wall:

4/ 5
0.62 Re1D/ 2 Pr 1 / 3 ⎡ ⎛ ReD ⎞ ⎤
5/8
Nu D = 0.3 + ⎢ ⎜
1 + ⎟ ⎥
[
1 + (0.4 / Pr ) ]
2 / 3 1/ 4
⎣⎢ ⎝ 282000 ⎠ ⎦⎥
[39]
• Valid when:
Re D ⋅Pr ≥ 0.2
• Characteristic length: L = ro π , i.e. square with same area
Sphe re /1/, /2/:
1/ 4
⎛µ ⎞
Nu D = 2 + (0.4 Re 1/ 2
+ 0.06 Re 2/3
) Pr ⎜⎜ ∞
0.4
⎟⎟ ,
⎝ µs
D D
⎠
[40]
where µ∞ is the dynamic viscosity at the fluid/gas temperature and µs is the
dynamic viscosity at the surface temperature.
• valid when:
0.71 ≤ Pr ≤ 380
3.5 ≤ Re D ≤ 7.6⋅104
1.0 ≤ (µ∞ /µs) ≤ 3.2

12.4.3 Radiation
Heat transfer due to radiation occurs in the range of approximately 0.4 µm to 1000 µm of
the electromagnetic wavelength spectrum /3/. This spectrum includes both visible light as
well as infrared radiation. Radiation heat transfer between two points occurs when waves
are emitted at one point and absorbed at another. Sometimes the wave is reflected or
transmitted and thus there is no radiation heat transfer between these two points.
However, the wave can be absorbed at another point thus creating a heat flow between
these new points instead. Since radiation consists of electromagnetic waves it is therefore
not dependent on the medium, in fact radiation heat transfer through a vacuum is higher
than through other mediums since almost no radiation is absorbed there. Radiation plays a
significant role at high temperatures and radiation heat transfer is in this instance much
higher than convection heat transfer. This can be seen from equations [41], [44] and [52],
with temperatures raised to a power of four.
Radiation heat transfer can be subdivided into three types: Surface radiation, gas
radiation and combined gas and particle radiation. These are described more closely
below.
Surface radiation
Surface radiation means that the heat flux is due to a surface (at temperature Ts) that
radiates to the outside environment (at temperature T∞ ), which is assumed to be very
large compared to the radiating surface. A typical case could be the walls of a big room.
The net heat flux is calculated according to
(
q ' ' = ε sσ Ts4 − T∞4 , )
[41]
where ε s is the surface emissivity, which is a function of the surface temperature,

ε s = ε s (Ts) and σ is the Stefan-Boltzmann constant. The surface is assumed to be
gray, which means that the surface absorptivity is equal to the surface emissivity
(α s(T) = ε s (T)).
For easier comparison with the convection heat rate, we can define the heat radiation
coefficient as
(
hr = ε sσ (Ts + T∞ ) Ts2 + T∞2 )
[42]
and by using equations [41] and [42] the heat rate can be expressed as
(
q ' ' = hr Ts − T∞ )
[43]
which is of the same form as equation [13]. The surface emissivity can be found from

tables in the literature. The normal emissivity (ε n) or the hemispherical or total
emissivity (ε h) may be listed depending on the material. The normal emissivity is the
normal directional emissivity while the hemispherical emissivity is the averaged value for
all solid angles passing through a hemisphere centered over the surface element /3/.

Gas radiation
The heat flux due to radiation from a gas to a surface is calculated as /4/
εs +1
q' ' = σ (ε g Tg4 − α g Ts4 ) ,
2
[44]
where ε s is the surface emissivity, ε g = ε g (Tg) is the gas emissivity at the gas
temperature and α g = α g (Tg ,Ts) is the gas absorptivity as a function of both the gas
and surface temperatures. It is natural that α g also depends on Ts as this defines the
spectrum of incoming radiation and this is clear because Tg defines the state of the gas
and therefore its thermal properties. The surface is also here assumed to be gray. The
coefficient (ε s+1)/2 is an approximation for the effective emissivity of the solid.
The heat radiation coefficient is now
(ε s + 1)σ (ε g Tg4 − α g Ts4 )

hr =
2(Tg − Ts )
.
[45]
In order to calculate ε g and α g the exponential wide band model proposed in /5/ can be
used. This model has been optimized and made more efficient computationally in /6/. The
model can treat mixtures containing H2O, CO2, CO, NO, SO 2 and CH 4 in, for example, a
non-radiating nitrogen gas. The model also takes into account the pressure and the optical
depth of the geometry. The gas emissivity function is
ε g = ε g (Tg , p, L, x H 2O , xCO 2 , xCO , x NO , x SO 2 , xCH 4 ) ,

[46]
where p is the pressure, L is the optical depth and x is the molar fraction of the individual
gas species. Note that the sum of the radiating gases can be smaller than one, ∑xsp ≤ 1,
since the rest of the mixture can consist of non-radiating gases.
This model is applicable for the temperature range T = 300 K to 2500-3000 K and the
pressure range p = 0.5 to 20 bar. The optical depth L depends on the geometry and is
listed in the following table for the most common geometries /7/. All surfaces are assumed
to be able to absorb radiation.
Geometry Characteristic dimension Optical depth (L)
1. Sphere Diameter (D) 0.63D
2.1 Cylinder (h = 0.5D) Diameter (D) 0.45D
2.2 Cylinder (h = D) Diameter (D) 0.6D
2.3 Cylinder (h = 2D) Diameter (D) 0.73D
3.1 Cube (1x1x1) Any side (x) 0.6x

3.2 Cube (1x1x4) Shortest side (x) 0.81x
3.3 Cube (1x2x6) Shortest side (x) 1.06x
Table 1: Examples of optical depths for simple geometries
For dimensions not listed in Table 1 the optical depth coefficient can be interpolated or
extrapolated. A simple example is:
Calculate the optical depth for a cube with the dimensions 1x4x7.
1. Extrapolated as a 1x1x7 cube using geometries 3.1 and 3.2 gives
L1x1x7 = 0.6+(0.81-0.6)⋅[(7-1)/(4-1)] = 1.02
2. Extrapolated as a 1x2.5x7 cube using geometries 3.2 and 3.3 gives
L1x2.5x7 = 0.81+(1.06-0.81) ⋅[(2.5-1)/(2-1)] = 1.185.
3. These two results can then be used again to extrapolate into the 1x4x7 cube which
gives L1x4x7 = 1.02+(1.185-1.02)⋅[(4-1)/(2.5-1)] = 1.35. This is the answer since the
shortest side is x = 1.
The gas absorptivity at the surface temperature can be calculated using the same model if
two temperature correction factors are introduced. The function then becomes
1.5 0.5
⎛T ⎞ ⎛T ⎞
α g = ε g (Tg , p, L ⋅ ⎜⎜ s ⎟ , x H 2O , xCO 2 , xCO , x NO , x SO 2 , xCH 4 ) ⋅ ⎜ g
⎟ ⎜T ⎟⎟
⎝ Tg ⎠ ⎝ s ⎠
[47]
and as seen from the correction factors, the surface temperature Ts is now also needed
as an input. For further information and detail on this model references /5/ and /6/ should
be consulted. The gas radiation calculation code used by HSC is based on code made by
Tapio Ahok ainen.
Combined gas and particle radiation
A particle cloud emissivity can be calculated when the mean size of the particles and the
particle cloud geometry are known, according to /4/
−ε p n p LAp
εc = 1− e ,
[48]
where ε p is the emissivity of a single particle, np is the number of particles per unit
volume of cloud, L is the thickness of the cloud and Ap is the average cross-sectional area
of the particle. If the particles in the cloud are not uniform in size, then the surface mean
diameter can be used according to

n
π ∑
2
nd
πd 2 i i
A= s
= i =1
,
4 4 n
∑n i =1
i
[49]
where ds is the surface mean diameter and ni is the number of particles of the same
diameter di . The total gas and particle cloud emissivity can then be approximated as /7/
ε g +c = ε g + ε c − ε g ε c ,
[50]
where ε c is the particle cloud emissivity and ε g is the gas emissivity calculated according
to the model behind equation [46]. The total gas and particle cloud absorptivity can be
approximated as
α g +c = α g + ε c − α g ε c ,
[51]
where α g is the gas absorptivity calculated according to the model behind equation [47].
Finally, the heat flux due to radiation from a gas and particle cloud to a surface is then
calculated according to /7/
εs
q' ' = σ (ε g + c Tg4 − α g + c Ts4 )
α g +c + ε s − α g +c ε s
[52]
and the heat radiation coefficient as
ε sσ (ε g + c Tg4 − α g + c Ts4 )
hr =
(α g +c + ε s − α g +c ε s )(Tg − Ts ) .
[53]
References
1. Incropera, F.P. & DeWitt, D.P.: Fundamentals of Heat and Mass Transfer, Fourth Edition. John
Wiley & Sons, New York, 1996. ISBN 0-471-30460-3.
2. Taine J. & Petit J-P.: Heat Transfer. Prentice Hall, Hempstead, 1993. ISBN 0-13-387994-1.
3. Siegel R. & Howell J.R.: Thermal Radiation Heat Transfer, Second Edition. Hemisphere Publishing
Corporation, 1972. ISBN 0-07-057316-6.
4. Themelis N.J.: Transport and Chemical Rate Phenomena. Gordon and Breach Science Publishers SA,
1995. ISBN 2-88449-127-9.
5. Edwards, D.K., Balakrishnan A. Thermal Radiation by Combustion Gases. Int. J. Heat Mass
Transfer, vol. 16, pp. 25-40, 1973.
6. Lallemant N. & Weber R.: A computationally efficient procedure for calculating gas radiative
properties using the exponential wide band model. Int. J. Heat Mass Transfer, vol. 39, No.15, pp.
3273-3286, 1996.
7. VDI Heat Atlas. Düsseldorf VDI-Verlag, 1993.
8. Haar L. & Gallagher J.S. & Kell G.S.: NBS/NRC Steam Tables: Thermodynamic and Transport
Properties and Computer Programs for Vapor and Liquid States of Water in SI Units. Hemisphere
Publishing Corporation, 1984. ISBN 0-89116-353-0.
9. Jokilaakso A.: Virtaustekniikan, lämmönsiirron ja aineensiirron perusteet. Technical University of

Helsinki, Otakustantamo, 1987. ISBN 951-672-015-3.
10. Edwards, D.K. Gas radiation properties. Heat Exhanger Design Handbook, No. 5 Physical
Properties. VDI-Verlag GmbH, Hemisphere Publishing Corp. 1983 (about 250 p.)
13. EQUILIBRIUM MODULE
Fig. 1. Equilibrium Module Menu.
This module enables you to calculate multi-component equilibrium compositions in

heterogeneous systems easily. The user simply needs to specify the reaction system, with
its phases and species, and gives the amounts of the raw materials. The program
calculates the amounts of products at equilibrium in isothermal and isobaric conditions.
The user must specify the substances and potentially stable phases to be taken into
account in the calculations as well as the amounts and temperatures of raw materials.
Note that if a stable substance or phase is missing in the system definition, the results will
be incorrect. The specification can easily be made in the HSC program interface, and the
input data file must be saved before the final calculations are made.
The equilibrium composition is calculated using the GIBBS or SOLGASMIX solvers,

which use the Gibbs energy minimization method. The results are saved in *.OGI or
*.OSG text files respectively. The post-processing PIC-program reads the result files and
draws pictures of the equilibrium configurations if several equilibria have been calculated.
The user can toggle between the equilibrium and graphics programs by pressing the
buttons shown in Figs. 1, 4, 6 and 7.
The Equilibrium module reads and writes the following file formats:
1. *.GEM-File Format
This file format contains all the data and formatting settings of each definition sheet

as well as the phase names, etc. The equilibrium module always saves this file
regardless of which file format is selected for saving the actual input file for
equilibrium calculations. If you want to use formatting settings, please use the
Ope n Normal selection from File menu, see Fig. 4.
2. *.IGI-file Format
This file format contains the data for calculations for the GIBBS-solver only and it
can read these files.
3. *.ISG-file Format
This file format contains the data for calculations with the Solgasmix-solver only
and it can read these files.
4. *.DA2-file Format
This file format contains the data for calculations for the ChemSAGE 2.0 only. The
equilibrium module also reads *.DA2-files, but not if solution model parameters
have been added to the file manually. Note that this equilibrium solver is not
included in HSC 5.0.
5. *.DAT-file Format
This file format contains the data for calculations for ChemSAGE 3.0 and 4.0 only.
The equilibrium module also reads *.DAT-files, but not if solution model parameters
have been added to the file manually. Note that this equilibrium program is not
included in HSC 5.0.
The equilibrium solvers GIBBS, Solgasmix and ChemSAGE deliver their results in ASCII
text-files. The PIC-module reads these files and generates graphics and tables as
described in Chapter 13.7.
There are three ways of creating an input file (*.IGI, *.ISG):
1. Press the top button in the menu, see Fig. 1. Then specify the elements which are
present in your system, see Fig. 2. The HSC-program will search for all the
available species in the database and divide them, as default, into gas, condensed
and aqueous phases. The user can then edit this preliminary input table.
2. Press the se cond button of the menu if you already know for sure the possible
substances and the phases of the system, see Fig. 1.
3. Press Edit Old Input File if you already have an input file which can be used as a
starting file. Edit the input table and save it using a different name, see Fig. 1.
If you only want to calculate the equilibrium compositions with the existing *.IGI-files
press Calculate , see Fig. 1. If you want to draw pictures from the existing *.OGI files
made by the GIBBS-solver press Draw, see Fig. 1. Using Print you can get a paper copy
of the *.IGI and *.OGI files.
13.1 Starting from defining the Elements
Fig. 2. Specifying the elements of the system.
If you do not know the substances of the system you may also start by specifying its
elements, i.e. a selection of the system components. The elements selected will be
displayed in the Elements Window, see Fig. 2. After pressing Ele me nts in the Equilibrium
Menu, see Fig. 1, you can continue with the following steps:
1. Select one or more e le me nts: Press buttons or type the elements directly into the
box. Try for example Ni, C, O, as given in Fig. 2. Do not select too many elements,
to avoid a large number of species. In practice 1 - 5 elements is OK
2. Select the form of species from Se arch Mode in which you are interested. You
may specify up to 9 carbon limits for the organic species, for example 4, 6, 7.
3. Press OK and you will see the species found, see Fig. 3. The HSC-program will
search for all species which contain one or more of the elements given, first from
the Own database and, if not found there, from the Main database.
By decreasing the number of species you may increase the calculation speed and make
the solution easier. Therefore select only those species, which you are sure to be unstable
in your system and press De le te Se le cte d. Be careful, because if you delete the stable
ones the calculated equilibrium results will be incorrect. If you are not sure of some

substance then do not delete it.
If you want to use only some of the species in the calculations then select only these and
press De le te Unse le cte d, which will remove the unnecessary species.
Especially if you have selected C and/or H among the other elements you will get a very
large number of species for the calculation and you are advised to decrease the number of
species. See Chapter 13.4 for selection criteria for phases and species.
Fig. 3. Deleting undesired species.
If there are some odd species in the list then you can double click that formula in the list or
press the Peep Database button and see the whole data set of the species in the database.
If you want to remove it press Re move in the Database Window. This will remove the
species from the list but not from the database.
When making first time calculations it may be a good idea to take a paper copy of the
species selected by pressing Print. Then you can also easily add or delete species in the
following window, see Fig. 4.
The species have been divided into rough reliability classes in the database; you may
select the species available in the most reliable class 1 by pressing Se le ct Class 1.
You may also set the sorting order for the species using the option buttons above the

Continue button. The sorting order will determine the order of species in the Equilibrium
Editor, see Fig. 4.
When you have finished deleting the species, press Continue and you will return to the
Equilibrium Editor window, see Fig. 4.
13.2 Giving Input Data for Equilibrium Calculations
Fig. 4. Specification of the species and phases for the reaction system.
Fig. 5. Specification of the calculation mode.


The Equilibrium Editor consists of two sheets for determining the conditions of the
equilibrium calculations. In Spe cie s and Options sheets, Figs. 4 and 5, you give all the
data required to create an input file for the equilibrium solvers and for calculating the
equilibrium compositions. Equilibrium calculations are made in three steps:
1. The user gives the necessary input data using the Species and Options sheets in the
Equilibrium Editor Window, Fig. 4, and saves this data as a text file.
2. The equilibrium compositions will be calculated using the equilibrium solvers, which
read the input-files and save the results in corresponding output-files.
3. The results in the output-file can be further processed to graphical form by pressing
Draw in Fig. 1 or 6 if several successive equilibria have been calculated.
The most demanding step is the selection of the species and phases, ie. the definition
of the chemical system. This is done in the Species sheet of the Equilibrium Editor, Fig.
4. You can move around the table using the mouse, or Tab and Arrow keys. The other
things which you should consider are:
1. Species (substances, elements, ions...)
You may write the names of the species directly into the Species column, without a
preliminary search in the Elements window. If you have made the search on the basis of
the elements you already have the species in the Species column.
You can check the names and the data of the species by pressing the right mouse button
and selecting Pe e p Database from the popup menu. If you press the Insert button you
can collect species for the equilibrium calculations sheet. Pressing Re move will remove
an active species from the equilibrium calculations.
You can insert an empty row in the table by selecting Row from the Inse rt menu or
pressing the right mouse button and selecting Ins Row from the popup menu.
Rows can be deleted by selecting Row from the Inse rt menu or by pressing the right
mouse button and then electing De l Row from the popup menu.
You can change the order of the substances by inserting an empty row and using the copy
- paste method to insert substance in the new row. The drag and drop method can also be
used. However, it is extremely important to move the whole row, because there is a
lot of auxiliary data in the hidden columns on the right side of the sheet.
Please keep the Copy Mode selection on in the Edit menu when rearranging species.
This will force the program to select the whole row. When formatting the columns and
cells, turn off the Copy Mode selection in the Edit menu.
Use the (l)-suffix for a species only if you want to use the data of liquid phases at
tempe-ratures below its melting point. For example, type SiO 2 (l) if SiO2 is present in a
liquid oxide phase at temperatures below the melting point of pure SiO2. See Chapter
28.2.
2. Phases
The species selected in the previous step must be divided into physically meaningful
phases as determined by the phase rows. This finally defines the chemical reaction system

for the equilibrium calculation routines. Definition of the phases is necessary because the
behavior of a substance in a mixture phase is different from that in pure form. For
example, if we have one mole of pure magnesium at 1000 °C, its vapor pressure is 0.45
bar. However, the magnesium vapor pressure is much smaller if the same amount has
been dissolved into another metal.
The phase rows must be inserted in the sheet using Phase selection in Inse rt menu or
using the same selection in the popup menu of the right mouse button. The Equilibrium
module makes the following modifications to the sheet automatically when you insert a
new phase row in the sheet and:
1. Asks a name for the new phase, which you can change later, if necessary.
2. Inserts a new empty row above the selected cell of the sheet with a light blue
pattern.
3. Assumes that all rows under the new row will belong to the new phase down to the
next phase row.
4. Inserts new Excel type SUM formulae in the new phase row. These formulae
calculate the total species amount in the phase using kmol, kg or Nm3 units.
When the insert procedure is ready, you may edit the phase row in the following way:
1. The phase name can be edited directly in the cell.
2. The phase temperature can also be changed directly in the cell and it will change
the temperatures of all the species within the phase.
3. Note that you can not type formulae to the amount column of the phase row,
because the SUM formulae are located there.
You can change the amount of species in a phase using kmol, kg or Nm3 units,
simply by typing the new amount to the corresponding cell. The program will
automatically update the total amount and the composition of the phase.
The first phase to be defined is always the gas phase, and all gaseous species must exist
under the gas phase row. Species of the same phase must be given consecutively one
after another in the table. As default, HSC Chemistry automatically relocates all the
gaseous species, condensed oxides, metals, aqueous species, etc. into their own phases if
you start from the “give Elements” option, see Fig. 1. The final allocation, however, must
be done by the user.
If there is no aqueous phase, all aqueous species must be deleted. Note that if you have
an aqueous phase with aqueous ions, you must also have water in the phase !
If you expect pure substances (invariant phases) to exist in the equilibrium configuration,
insert them as their own phases by giving them their own phase rows or insert all these
species under the last phase row and select the Pure Substance s in the Last Phase
option, see Fig. 5. Formation of pure substances is possible especially in the solid state at
low temperatures. For example, carbon C, iron sulfide FeS2, calcium carbonate CaCO3,
etc. might form their own pure phases.
One of the most common mistakes is to insert a large amount of relatively “inert”
subs-tance to the mixture phase. For example, large amounts of solid carbon at 1500 °C
do not dissolve into molten iron. However, if these both species are inserted into the same
phase then the equilibrium program assumes that iron and carbon form an ideal mixture at
1500 °C. This will, for example, cause much too low vapor pressure for the iron.
Therefore carbon should nearly always be inserted into its own phase at low

temperatures.
3. Input Temperatures of the Species

Input temperatures for the raw material species are essential only in the equilibrium he at
balance calculations, i.e. if you provide some input amount for a species you should also
give its temperature. The input temperature does not affect the equilibrium composition.
You may select the temperature unit by selecting C from the Units menu, see Fig. 4.
4. Amount of the Species

In this column you give the input amounts of the raw material species. The most important
thing for the equilibrium composition is to give the corre ct amounts of e le me nts to the
system. You may divide these amounts between the species as you like. If the corre ct
he at balance is required, you must divide the amounts of elements exactly into the same
phases and in a similar manner as in the real physical world.
You may choose between kmol or kg/Nm3 units by selecting mol or kg from the Units
menu. Note that kilograms refer to condensed substances and standard cubic meters
(Nm3) to gaseous substances, see Fig. 4.
5. Amount Step for Raw Materials

If you wish to calculate several successive equilibria you give an incremental step for one
or more raw material species. Then the programs automatically calculate several equilibria
by increasing the amount of this species by the given step. Please remember to select the
Incre ase Amount option, see Fig. 5, and give also the number of steps. The maximum
number of steps which can be drawn is 251 for the GIBBS solver and 50 for Solgasmix
solver. Some 21 - 51 steps are usually enough to give smooth curves to the equilibrium
diagram.
You may give step values for several species simultaneously. For example, if you want to
add air to the system give a step value for both O2(g) and N 2(g). Please do not forget to
specify the number of steps, if a diagram is to be drawn from the results.
6. Activity Coefficients (in Gibbs-solver)

The simple definition of Raoultian activity is the ratio between vapor pressure of the
substance over the solution and vapor pressure of the pure substance at the same
temperature.
a= p(ove r solution) / p(pure ) [1]

Activity coefficient describes the deviation of a real solution from an ideal mixture.
Activity coefficient f is defined as the ratio between activity a and mole fraction x of the
species in the mixture.
f= a/x [2]
In an ide al solution the y are the re fore de fine d as a = x and f = 1. As a de fault in
GIBBS and SOLGASMIX, the activity coe fficie nt of a spe cie s in the mixture
phase s is always 1. However, if non-ideal activity coefficients are available they may be

introduced in the right column. Only simple binary or ternary expressions can be utilized
directly by the GIBBS solver within HSC, such as:
Ln(f) = 8495/T-2.653
Ln(f) = 0.69+56.8*X24+5.45*X25
Ln(f) = -3926/T
Ln(f) = -1.21*X7^2-2.44*X8^2
where:
T = Temperature in K
X24 = Mole fraction of the species with a row number 24 in the sheet.
f = Activity coefficient.
Formulae are written using the same syntax as in Excel, the defined names T and P are
available for temperature and pressure. Mole fractions are given as cell references to
column X. Please note that the returning values of the formulae are insignificant, because
the mole fraction values in column X are zero, see Figs. 16 - 17.
7. Heading
You may add any kind of heading for the input file, see Fig. 5. The maximum number of
characters allowed in the heading is 80. The PIC post-processing program automatically
adds the heading to the diagrams, see Figs. 11 and 17.
8. Equilibrium Temperature
Equilibrium will be calculated at this temperature, and each equilibrium is isothermal and
thus has a constant temperature throughout the system, see Fig. 5. You may also give the
temperature range if you wish to calculate several sequential equilibria. Please remember
to also select the Incre ase Te mpe rature option and give the Numbe r of Ste ps, see Fig.
5. Several equilibria are needed in order to create graphics from the results.
Temperatures in the Species Sheet, Fig. 4, have no effect on the equilibrium compositions.
They are only needed if the reaction enthalpy is necessary to calculate correctly, see
Chapter 13.7.1, Fig. 10 and Y-Axis selections.
9. Equilibrium Pressure
Equilibrium calculations are always made in constant pressure or in isobaric conditions.

Normally a total pressure of 1 bar is used, and it is also given as default in HSC. In
autoclave or vacuum furnace applications you may need to change the pressure. You can
also increase pressure incrementally by giving a Pre ssure Range , please remember to
also define the Incre ase Pre ssure option for this selection, see Fig. 5
The total pressure P° has effect on gas phase activity values ai in formula 3. The fugacity
Fi of gas species i may be calculated from this value with formula 4.
ai = P° * x i [3]
Fi = ai * 1 bar [4]
10. Number of Steps

If you have defined increments (steps) for raw material species or specified a
temperature or a pressure range then you should also give the Numbe r of Ste ps required,
see Fig. 5 The maximum number of steps in Gibbs solver is 251 and for Solgasmix the
maximum available is 51. Usually 21 - 51 steps give quite smooth curves in the equilibrium
diagram. A large number will only give more points to the picture and a longer calculation
time.
If you have given an amount step for a raw material species, the calculations should be
made using an increasing species amount. If you have given a temperature or pressure
range, then the calculations should be made by increasing the temperature or pressure. No
simultaneous increments in composition, temperature and pressure are allowed. Please do
not forget to select the correct increase option, see Fig. 5
11. Criss-Cobble and Mixing Entropy of Aqueous Species
HSC will utilize Criss-Cobble e xtrapolation for the heat capacity of aqueous species at
elevated temperatures (> 25 C) if the Criss-Cobble option is selected, Fig. 5 Refer to the
details in Chapter 28.4. Note that:
A) It is necessary to select the Mixing Entropy option for the GIBBS and
SOLGASMIX routines. In this case, the activities of the results will be presented on
the Raoultian scale which is based on mole fractions, see Chapter 13.3.
B) It is not recommended to select the Mixing Entropy option for the ChemSAGE or
for the SOLGASMIX if the conventional activity coefficients of aqueous species
are to be given in the FACTOR subprogram.
If the Criss-Cobble and Mixing Entropy options are not selected for the GIBBS or
SOLGASMIX programs, then the activity coefficients of aqueous species may be set to
55.509/X(H2O), which will convert the Raoultian activity scale to the aqueous activity
scale. This trick will also give the activities of the results on an aqueous scale, where the
concentrations units are expressed as moles per liter of H2O (mol/l).
12. GIBBS, SOLGASMIX and ChemSAGE File Format
With this option you can select the input file formats accepted by the GIBBS,
SOLGASMIX3 or ChemSAGE4 Gibbs energy minimization routines, Fig. 5
If you save the file in GIBBS format you can carry out the calculations in HSC Chemistry
with the GIBBS-solver by pressing Gibbs. If you have selected SOLGASMIX format
you can carry out the calculations with a modified SOLGASMIX-solver by pressing
SGM, see Fig. 5 ChemSAGE is a separate software product, which is not included in the
HSC Chemistry package.
Note: the activity coefficients and formulae specifications, see Fig. 4 are valid only in the
GIBBS-solver. Non-ideal mixtures for SOLGASMIX and ChemSAGE must be defined
separately.
13. Pure Substances (“Invariant phases”)
The SOLGASMIX and ChemSAGE solvers require information on the number of pure
substances defined in the system. The internal name for pure substances in the programs

is the invariant phase, referring to the fixed or invariant composition of a pure substance.
All species in the last substance group can be set to be pure substances with the Pure
Substance s in the Last Phase option, see Fig. 5
14. File Save and File Open
You must first save the input data for the calculations, see Figs. 4 and 5. When this is
done you may activate the equilibrium program and carry out the calculations. With
File /Ope n you can read an old input file for editing. Note that from File menu you can
easily select file types for Ope n and Save . Note also that the *.IGI, *.ISG and *.DAT
file types do not save edited phase names and formatting settings. The Equilibrium module
always saves automatically a *.GEM file which can be used to return these settings.
15. Exit
If you want to return to the previous menu press Exit. Remember, however, to save your
input data first !
13.3 Aqueous Equilibria

Equilibrium calculations of aqueous solutions can be made in a similar manner as
presented previously for non-electrolyte solutions. However, some points need special
attention (see also Chapter 28.4 for information of aqueous species):
1. Always remember to add water to the aqueous phase. For example, 55.509 mol (=
1 kg) is a good selection if the amount of ions is some 0.01 - 5 moles.
2. Add some charged species (electrons) to the system, for example, by 0.001 mol
OH(-a) and the same amount of H(+a). Be sure to maintain the electronic
neutrality of the system if you will carry out the calculations with the Gibbs solver.
3. If you are calculating, for example, the dissolution of 1 mole of CaCO3 into water
and you have stoichiometric raw material amounts, please also add a small amount
of O 2(g) to the gas phase, for example, 1E-5 moles. If you have stoichiometric
NaCl in the system please add a minor amount of Cl2(g) to the gas phase (1E-5
mol). These tricks help the GIBBS and SOLGASMIX solvers to find the
equilibrium composition in cases of fully stoichiometric overall compositions.
4. HSC converts the entropy values of aqueous components from the molality scale
to mole fraction scale if the Mixing Entropy option is selected, Fig. 33.
Therefore, the entropy values in the input files are not the same as in the HSC
database. Identical results will be achieved if the Raoultian activity coefficients of
the aqueous species are changed to 55.509/X(H2O) which converts the Raoultian
activity scale to the aqueous activity scale.
5. For some aqueous species only G values are available at 25 °C. These can be
saved in the database as H values if S = 0. Note, however, that these can only be
used in the calculations at 25 °C.
6. You may check the equilibrium results by doing simple element balance checks or
comparing the equilibrium constants. For example, you can calculate the equilibrium
constant for reaction 18 using the Reaction Equations option at 25 C, see Fig. 12:
H2O = H(+a) + OH(-a) K = 1.020E-14 [5]
You may also calculate the same equilibrium constant from the equilibrium results
of the GIBBS program using equation 10 in Chapter 8. Introduction. You can read
the necessary molal concentrations, for example, from the equilibrium results
\HSC3\CaCO3.OGI file, see Table 1. This calculation should give nearly the same
results as the Reaction Equation option.
[H(+a)] * [OH(-a)] 4.735E-13 *

2.159E-2
K = ⎯⎯⎯⎯⎯⎯⎯ = ⎯⎯⎯⎯⎯⎯⎯⎯⎯ = 1.023E-14 [6]
[H2O] 55.468/55.509
INPUT AMOUNT EQUIL AMOUNT MOLE FRACT ACTIVITY ACTIVITY

PHASE 1: mol mol COEFFICI
N2(g) 1.0000E+00 1.0000E+000 9.683E-01 1.00E+00 9.683E-01
H2O(g) 0.0000E+00 3.2678E-002 3.164E-02 1.00E+00 3.164E-02

O2(g) 1.0000E-05 1.0000E-005 9.683E-06 1.00E+00 9.683E-06
CO2(g) 1.0000E-03 1.5986E-013 1.548E-13 1.00E+00 1.548E-13
Total : 1.0010E+00 1.0327E+000 1.000E+00
PHASE 2 : MOLE FRACT

H2O 5.5500E+01 5.5468E+001 9.994E-01 1.00E+00 9.994E-01
CO3(-2a) 0.0000E+00 4.7507E-007 8.560E-09 1.00E+00 8.560E-09
C2O4(-2a) 0.0000E+00 8.0560E-061 0.000E+00 1.00E+00 0.000E+00
Ca(+2a) 1.0000E+00 1.0797E-002 1.945E-04 1.00E+00 1.945E-04
CaOH(+a) 0.0000E+00 1.4656E-010 2.641E-12 1.00E+00 2.641E-12
H(+a) 0.0000E+00 4.7348E-013 8.531E-15 1.00E+00 8.531E-15
HCO2(-a) 0.0000E+00 8.1514E-048 0.000E+00 1.00E+00 0.000E+00
HCO3(-a) 0.0000E+00 4.9071E-009 8.842E-11 1.00E+00 8.842E-11
HO2(-a) 0.0000E+00 1.1549E-020 2.081E-22 1.00E+00 2.081E-22
O H(-a) 2.0000E+00 2.1593E-002 3.890E-04 1.00E+00 3.890E-04
Total : 5.8500E+01 5.5501E+001 1.000E+00
Table 1. A part of the equilibrium result file \HSC5\GIBBS\CaCO3.OGI.

13.4 General Considerations
Although equilibrium calculations are easy to carry out with HSC Chemistry, previous
experience and knowledge of the fundamental principles of thermodynamics is also
needed. Otherwise, the probability of making serious errors in basic assumptions is high.
There are several aspects, which should be taken into account, because these may have
considerable effects on the results and can also save a great deal of work. For example:
1. Before any calculations are made, the system components (elements in HSC
Chemistry) and substances must be carefully defined in order to build up all the
species and substances as well as mixture phases which may be stable in the
system. Phase diagrams and solubility data as well as other experimental
observations are often useful when evaluating possible stable substances and
phases.
2. Defining all the phases for the calculation, which may stabilize in the system, is as
important as the selection of system components. You may also select a large
number of potential phases just to be sure of the equilibrium configuration, but it
increases the calculation time and may also cause problems in finding the
equilibrium.
3. The definition of mixtures is necessary because the behavior of a substance
(species) in a mixture phase is different from that in the pure form. The
microstructure or activity data available often determines the selection of species
for each mixture. Many alternatives are available even for a single system,
depending on the solution model used for correlating the thermochemical data.
Note: the same species may exist in several phases simultaneously; their chemical
characters in such a case are essentially controlled by the mixture and not by the
individual species.
4. If you expect a substance to exist in the pure form or precipitate from a mixture as
a pure substance, define such a species in the system also as a pure (invariant)
phase. This is often a valid approximation although pure substances often contain
some impurities in real processes. All species in the last phase can be set to be pure
substances using the Pure Substance s in the Last Phase option, see Fig. 5
5. The raw materials must be given in their actual state (s, l, g, a) and temperature if
the correct enthalpy and entropy values for equilibrium heat balance calculations
are required. These do not affect the equilibrium compositions.
6. Gibbs energy minimization routines do not always find the equilibrium configuration.
You may check the results by a known equilibrium coefficient or mass balance
tests. SOLGASMIX provides a note on error in such cases. It is evident that results
are in error if you get random scatter in the curves of the diagram, see Figs. 11, 17
and 19. You can then try to change species and their amounts as described in
Chapter 13.2 (2. Phases, 4. Amount of Species).
7. Sometimes when calculating equilibria in completely conde nse d syste ms it is also
necessary to add small amounts of an inert gas as the gas phase, for example,
Ar(g) or N2(g). This makes calculations easier for the equilibrium programs.
8. It may also be necessary to avoid stoichiome tric raw mate rial atom ratios by

inserting an additional substance, which does not interfere with the existing
equilibrium. For example, if you have given 1 mol Na and 1 mol Cl as the raw
materials and you have NaCl as the pure substance, all raw materials may fit into
NaCl due its high stability. The routines meet difficulties in calculations, because the
amounts of all the other phases and species, except the stoichiometric one, go to
zero. You can avoid this situation by giving an additional 1E-5 mol Cl2(g) to the gas
phase, see Fig. 46.
9. Quite often the most simple examples are the most difficult ones for the Gibbs
energy minimization routines due to matrix operations. However, the new GIBBS
4.0 version usually finds the solution for the simple systems too, such as the two
phase H 2O(g) - H2O -system between 0 - 200 °C.
10. Sometimes a substance is very stable thermodynamically, but its amount in
experiments remains quite low, obviously due to kinetic reasons. You may try to
eliminate such a substance in the calculations in order to simulate the kine tic
(rate ) phe nome na, which have been proven experimentally.
11. It is also important to note that different basic thermochemical data may cause
differences to the calculation results. For example, use of HSC MainDB4.HSC or
MainDB5.HSC database files may lead to different results.
The de finition of phase s and the ir spe cie s is the crucial ste p in the e quilibrium
calculations and it must be done care fully by the use r. The program is able to
remove unstable phases and substances, but it can not invent those stable phases or
species which have not been specified by the user. The definition of phases is often a
problem, especially if working with an unknown system.
Usually it is wise, as a first approximation, to insert all gas, liquid and aqueous species in
their own mixture phases, as well as such substances which do not dissolve into them, for
example, carbon, metals, sulfides, oxides, etc. in their own invariant phases (one species
per phase), according to basic chemistry. If working with a known system it is, of course,
clear to select the same phase combinations and structural units for the system as found
experimentally. These kinds of simplifications make the calculations much easier and
faster.
The user should give some amount for all the components (elements) which exist in the
system for Gibbs solver. However, Solgasmix solver is also able to reduce the number of
components (elements) automatically if a component is absent in the raw materials.
It is also important to understand that due to simplifications (ideal solutions, pure phases,
etc.) the calculations do not always give the same amounts of species and substances as
found experimentally. However, the trends and tendencies of the calculations are usually
correct. In many cases, when developing chemical processes, a very precise description
of the system is not necessary and the problems are often much simpler than, for example,
calculation of phase diagrams.
For example, the user might only want to know at which temperature Na 2SO 4 can be
reduced by coal to Na 2S, or how much oxygen is needed to sulfatize zinc sulfide, etc.:
The Na2SO4.IGI example in the \HSC5\GIBBS directory shows the effect of

temperature on Na 2SO4 reduction with coal; the same example can be seen also in the
HSC color brochure, page 3. The calculated compositions are not exactly the same as

found experimentally, but from these results we can easily see that at least 900 C will be
needed to reduce the Na2SO4 to Na 2S, which has also been verified experimentally.
The real Na-S-O-C-system is quite complicated. In order to describe this system precisely
from 0 to 1000 C, solution models for each mixture phase would be needed to describe the
activities of the species. Kinetic models would also be necessary at least for low
temperatures. To find the correct parameters from the literature for all these models might
take several months. However, with HSC Chemistry the user can get preliminary results
in just minutes. This information is often enough to design laboratory and industrial scale
experiments.
13.5 Limitations
The present version of the GIBBS program has no limitations as to numbers of substances
and phases because it uses dynamic arrays. However in practice, 3 - 250 species and 1 -
5 phases are suitable numbers to carry out the calculations within a reasonable time.
Although the maximum number of rows in the spreadsheet editor used in Fig. 4 is 16384,
the practical maximum number of species is much smaller. The maximum number of
equilibrium points, which can be drawn on the Equilibrium diagram, is 251. However, a
much smaller number of equilibrium points usually give smooth curves to the diagram.
The modified SOLGASMIX provided in the HSC package has the following limitations:
- maximum number of components 20
- maximum number of mixtures 31
- maximum number of pure substances (“invariant phases”) 30
- maximum number of species in the mixture phases 150
- maximum number of Cp ranges in input files 7
- SGM neglect phase transitions < 298.15 K
The most important limitation of the old GIBBS 2.0 was that, in some cases, only one pure
substance was allowed. Otherwise the program provided unpredictable results. If pure
substances (invariant phases) do not, however, contain the same elements, several of
them are usually accepted. You can avoid this limitation by putting a minor amount of
dissolving species into such a pure substance and defining it as a solution phase. In any
case, the new GIBBS 5.0 is much more reliable in these situations.
At least a tiny amount for all elements defined in the system must be given as input if you
use the GIBBS routine. For example, if you have any Fe-containing species in the system,
you must also give some Fe to the raw materials.
SOLGASMIX can handle systems with several pure substances usually without difficulty.
It also can calculate equilibria in systems smaller than originally defined in HSC. The
SOLGASMIX routine can therefore treat systems with less components than defined in
its input file and thus a certain system component may be absent in the raw materials.
The SOLGASMIX provided with the HSC package is a modified version of the original
code from the University of Umeå, Sweden. The modification allows the use of grams as
input and in this case the result is given both in molar fractions and moles as well as in
weight percentages and grams. The input file has therefore additional rows for each
system components (elements). The locations and contents of these rows can be found in
the input file listing in Chapter 14. Equilibrium samples.
If you have an aqueous phase with ionic species you should also be sure to maintain
electric neutrality in the system, because the GIBBS solver treats electrons in the same
way as elements. SOLGASMIX can usually handle a small deviation from the electron
neutrality.
13.6 Calculation Routines
13.6.1 GIBBS Equilibrium Solver
Fig. 6. GIBBS equilibrium solver.
Equilibrium calculations in the GIBBS routine are made using the Gibbs energy
minimization method. The GIBBS program finds the most stable phase combination and
seeks the phase compositions where the Gibbs energy of the system reaches its minimum
at a fixed mass balance (a constraint minimization problem), constant pressure and
temperature. This method has been described in detail elsewhere 5.
Ope ration Instructions:

1. Select *.IGI file for calculations by pressing File Ope n, if the file is not already
selected.
2. Use pre vious re sults as the initial gue ss option will slightly speed up
calculations, but it is recommended to disable this option, because sometimes
GIBBS does not give valid results with this option. The default setting is off.
3. Fast calculations option will speed up the calculations - the default value is on.
4. Press Calculate and wait for the All Calculated message.
5. Press Draw Diagram if you want the results in graphical form.
6. Press Exit to return to HSC.
Advance d options belong to properties not supported yet, these may be available in the
next HSC version as tested and supported form.
13.6.2 SOLGASMIX Equilibrium Solver
Fig. 7. Message box of the SOLGASMIX program.
The SOLGASMIX equilibrium routine has been integrated in the HSC Chemistry package
in a different way to the GIBBS routine, because it is not a Windows-based program. No
own icon is provided, but the program has been connected with the HSC interface through
a direct data link using files.
The SOLGASMIX routine uses a similar Gibbs energy minimization calculation method as
the GIBBS program. All its mixture phases can be defined as non-ideal mixtures in the
FACTOR subroutine, but this option is not supported by HSC interface. For further
reference, the original input guide and the thesis of Gunnar Eriksson should be consulted6.
The original SOLGASMIX code has been modified to accept grams instead of moles as
input amounts. The equilibrium composition in the gram mode is given both as a
conventional table with moles and mole fractions and also as grams and weight
percentages. The alterations in the input files due to this modification can be found in
Chapter 14. Equilibrium samples.
SOLGASMIX can also be activated in the HSC directory as an independent, stand-alone

equilibrium solver. In this case, its input file name created in HSC must be defined as
INPUT. The equilibrium calculations results will be stored with the file name RESULT.
Equilibria calculated as a function of temperature, pressure or other process variables can
be later post-processed to graphics using the PIC-module by HSC Chemistry.
You may run SOLGASMIX by pressing SGM when SGM format has been selected, see
Fig. 5, or by selecting Solgasmix in the Calculate menu. Wait for the calculations until
Draw Diagram is activated, see Fig. 7. After calculations you can draw a diagram from
the results by pressing Draw Diagram or return to Equilibrium Window by pressing Exit.

13.7 Drawing Equilibrium Diagrams
Fig. 8. Selecting the x-axis for an Equilibrium Diagram.

Fig. 9. Selecting the x-axis for an Equilibrium Diagram.

The PIC post-processor draws diagrams on the basis of the output files of the GIBBS
program (*.OGI-files), as well as from the SOLGASMIX (*.OSG) and ChemSAGE
(*.RES) result files. These diagrams can be drawn, for example, as a function of a
specified reactant amount or equilibrium temperature. Start the PIC program by pressing
Draw in Fig. 6 or 7 and follow these instructions:
1. Select the *.OGI file for diagram by pressing File Ope n if not yet selected, see
Fig. 8. This file contains the results of the equilibrium program.
2. Select the species or temperature for the x-axis by clicking the desired item in the
list box using the mouse. The program shows the recommended selection with an
arrow, which is the variable used in the calculations, see Fig. 8.
3. Press OK.
4. Select the species for the y-axis by keeping Ctrl Ke y down and clicking with the
mouse. Sometimes it is convenient to select only those species, which contain the
same element, for example Ni, for one diagram. This can easily be done using the
element list, see Fig. 9. In standard cases you can get more illustrative diagrams by
drawing all gaseous species on one diagram and all other species on another.
The number of selected species is not limited. All species included in the calculation
can be selected to the diagram.
5. Press OK.
6. Note: You can return to HSC by pressing Cance l or Exit.
13.7.1 Selecting Data Type for the X- and Y-axis
Fig. 10. Selecting data type for the x- and y-axis.
In this menu you can select the data type for the diagram. Usually you may accept the
default selections by pressing Diagram, but the output may be modified. For example, you
can draw the composition of a gas phase by clicking Equilibrium Compositions option
for the y-axis instead of Equilibrium Amount. All the species in one phase must be
selected if composition of this phase will be drawn to the diagram.
If you are working with an aqueous system you will get a pH option for the X - Axis. This
option will draw the results as a function of pH.
By pressing Spe cie s you will return to the previous window, see Fig. 9.
If you only want the results in tabular format, press Table .
You can also sort the species in descending order, or leave them in the original order using
Sorting Orde r of Spe cie s option. This selection will determine the order of species in
the results table.
Temperature and amount units may be selected using the Te mpe rature and Amount
options.
The number of species is not limited, and all the species included in the equilibrium
calculations can be selected to the diagram.
13.7.2 Result Graphics (Equilibrium Diagram)
Fig. 11. Equilibrium Diagram.
When you press Diagram in the Axis menu, Fig. 10, then the PIC post-processor module
reads the equilibrium results from the file and draws the diagram using default scale, font,
line width, etc. selections, see Fig. 11. Note that the program inserts the species labels
automatically above the maximum point of the curve using the same color for the curve
and label. If the line is not within the selected x- and y-range or it is on the border then the
program will not draw the line or the label.
You can edit the diagram, Fig. 11, by using several formatting options:
1. Double click the x- or y-scale numbers or select X-Axis or Y-Axis from the
Format menu to change, for example, the minimum and maximum values of the X-
and Y-axis, see Fig. 12. In some cases it is also advantageous to change the y-axis
to logarithmic scale in order to display the large variations in amounts or
concentrations.
From the same window you can change the number format of x- and y-axis
numbers as well as their font size, color, etc.
2. When the scales are OK, you can relocate any labe l (species, x- and y-axis

heading, etc.) by mouse using the drag and drop method. First select the label, keep
the left mouse button down and drag the label to a new location, release the mouse
button and the label will drop.
3. The line width of curves, species label font, etc. may be changed by double
clicking the species labels or selecting the label with mouse and selecting Format
Labe l from the menu. You cannot do this by double clicking the line. The label and
curve editing window is shown in Fig. 13. Note that other line styles than solid are
available only for line widths smaller than 0.3 mm.
Fig. 12. Changing scales, scale number format and font settings.
Fig. 13. Changing label and line specifications.

4. You can edit any label and heading on the screen by simply clicking the text in the
label by mouse and starting to edit. For example you can change the label “Ni” to a
non-abbreviated form “Nickel”.
5. You can create new labels by selecting Labe l from the Inse rt menu. These new
labels can be deleted using the Label selection in the Delete menu. Default labels
cannot be deleted, and the only possibility is to remove all text from them.
6. The first time you use HSC Chemistry it may be necessary to change the default
fonts by selecting the De fault Font from the Format menu, because the available
fonts vary from one computer to another. Usually Times New Roman, bold, size 11
font is a good selection. The selection will be automatically saved in the
HSC.INI-file in your Windows directory.
7. When you are satisfied with the diagram you can print it by pressing Print B&W.
If you have a color printer press Print Col. The print dialog gives several useful
options for a hard copy, see Fig. 14.
Fig. 14. HSC print dialog for graphics.
8. If you want to see the diagram in a tabular format or use the data of the diagram in
other programs, such as MS Excel, press Table .
9. You can copy the diagram to the Clipboard by pressing Copy, and paste the
diagram to other Windows programs. The Copy command uses the Windows
Metafile format, which enables you to resize the diagram in other Windows
applications in full resolution.
10. With Save you can save the diagram into a file using the Windows Metafile format.
11. Press Axis to return to the previous Axis menu, Fig 10.
12. Press Exit to return the Species window, Fig. 8, or to exit the PIC program.
13.7.3 Equilibrium Diagram Table
Fig. 15. Equilibrium Diagram Table.
You can display the equilibrium results in a tabular format by pressing Table the Axis
menu, Fig. 10, or in the Diagram window, Fig. 11. The Table window has several Excel
type features in a similar way to the other spreadsheets in HSC. The most important
features are:
1. With Copy All you can get the whole table into the Clipboard, and paste this table,
for example, to MS Excel. You can also copy and paste smaller cell ranges using
the Copy and Paste selections in the Edit menu, see Fig. 15.
2. You can also save the table using different formats, such as ASCII text and Excel
by selecting Save from the File menu.
3. The Table window has two sheets. The Spe cie s sheet contains the data of the
diagram; the figures in this sheet can be edited, if you are not satisfied with the
results. The Format sheet contains the format specifications of the diagram. It is
not recommended to edit the Format sheet.
There are several formatting options in the Format menu, which can be used to create
representative tables for printing. The table can be printed using the Print selection in the
File menu, Fig. 15. There are also available options Setup and Preview for printing.
The Axis button will open the Axis menu, Fig. 10, and Diagram will draw the diagram,
Fig. 11.
13.8 Non-ideal mixture: GaAs Example with Activity formulae
Fig. 16. Input data of an activity formula example.
LOGf(1) =((1-X1)^2)*(-25503.6-4.3109*T +5174.7*(1-4*X1))/(8.31431*T )

LOGf(2) =((X1)^2)*(-25503.6-4.3109*T +5174.7*(3-4*X1))/(8.31431*T )
Fig. 17. Results as a function of arsenic amount. Different colors have been used for species, but these
do not show up well in this B&W copy.
13.9 CaCO3 Example (Aqueous solution exists)
Fig. 18. Input data of example CaCO3.IGI.

Fig. 19. Results as a function of added CO2(g). Different colors have been used for the species, but
these do not show up well in this B&W copy.
Fig. 20. Results on logarithmic scale, the default example is shown in Fig. 19.
Fig. 21. Results as a function of pH, the default example is shown in Fig. 19.
13.10 Vapor Pressures

HSC Equilibrium module may be used to calculate vapor pressures for substances.
"VaporPressurePbS.igi" sample case is available in your \HSC5\Gibbs- folder, see Fig. 22.
It is made for PbS vapor pre ssure calculation. This case has been created with the
same procedure as described in Chapter 13.1. Note that:
1. Nearly all Pb- and S-containing species have been selected to the chemical system.
2. Some nitrogen has been added to stabilize the gas phase.
3. Some extra sulfur has been added to make the case easier to solve for Gibbs.exe.
Usually this trick is not needed but it may be used just to be safe.
4. Calculations are made from 0 to 2000 C°.
5. Selection of 100 bar total pressure makes possible calculation of vapor pressure up to
100 bar. Total pressure 1 bar would give vapor pressures up to 1 bar.
6. The equilibrium module calculates the equilibrium composition of the phases. In this
case, the equilibrium composition of the gas phase.
7. All gas species have been selected to the diagram in the species dialog, see Fig. 9.
Do not select PbS !
8. "Equilibrium Composition" has been selected to Y-axis in the Axis dialog, see Fig.
10.
9. The calculation results are shown in Fig. 23. The default Y-scale of the diagram is 0
- 100 mol-%, but is has been changed to 0 - 2 mol-%.
10. PbS(g) composition at 1330 C° is 1 mol-%. PbS(g) partial pressure is then 0.01, this
means that PbS(g) vapor pressure is 0.01 * 100 bar = 1 bar, see Fig. 23.
11. The total pressure of PbS is the sum of all the partial pressures of the gas species
formed of PbS, ie. sum of: PbS(g), Pb(g), S2(g), Pb2S2(g), Pb2(g), etc.
HSC 5.0 can not calculate the total vapor pressures automatically. However, this may be
carried out, for example, in MS Excel. Press the Table button in the diagram menu (see
Fig. 23) to see the diagram data in tabular form and use the Copy - Paste procedure to
transfer this data to MS Excel. You may also save this table in Excel format. In Excel you
may calculate the sum of all the partial pressures, see the VaporPressurePbS.XLS
example in your \HSC5\Gibbs-folder.
HSC database reference Knacke 91 gives 1314 C° for PbS boiling point and Janaf 98
gives 1320 - 1344 C° depending on the measurement or calculation method. These values
are in reasonable agreement with the calculated PbS boiling point of 1327 C° in
VaporPressurePbS.XLS.
The gas phase above PbS contains mainly PbS(g). However, in many cases the gas above
pure substances may be composed of many different species. In these cases it is
important to note that the total vapor pressure is the sum of the partial pressures of all the
different gas species formed of the evaporating susbstance (not N2(g)).
Fig. 22. Chemical system specification for PbS vapor pressure calculations.
Fig. 23. Results of PbS vapor pressure calculations.

14. HSC EQUILIBRIUM MODULE SAMPLES

Conte nts of an Input File for GIBBS Program
§Copper Smelting at 1300 C ' Heading
1 ' 0 = results to screen, 1= results to file
6 4 0 3 3 2 1 ' Elements, phases, inv. phases, and
' ^ number of components / phase 1., etc.
'N2(g) ' 2.00 0.00 0.00 0.00 0.00 0.00 '
stoichiomet.
'O2(g) ' 0.00 2.00 0.00 0.00 0.00 0.00 ' matrix
'SO2(g) ' 0.00 2.00 1.00 0.00 0.00 0.00

'*2FeO*SiO2(l) ' 0.00 4.00 0.00 2.00 1.00 0.00
'SiO2(l) ' 0.00 2.00 0.00 0.00 1.00 0.00
'Cu2O(l) ' 0.00 1.00 0.00 0.00 0.00 2.00
'Cu2S ' 0.00 0.00 1.00 0.00 0.00 2.00
'FeS ' 0.00 0.00 1.00 1.00 0.00 0.00
'Cu ' 0.00 0.00 0.00 0.00 0.00 1.00
4
1573.150 ' Equilibrium temperature (K)
0.000000E+00 1.916105E+02 3 ' H, S, number of temperature intervals
2.919177E+01 -1.121312E-03 0.000000E+00 4.091976E-06 0.000000E+00
0.000000E+00
400.000 0.000000E+00 ' ^ A, B, C, D, E, F (J/(mol*K))
2.255176E+01 1.320889E-02 3.129632E+05 -3.389040E-06 0.000000E+00
0.000000E+00
1600.000 0.000000E+00 ' Temperature (K), H (J/mol)
3.684012E+01 2.594080E-04 -5.478948E+06 0.000000E+00 0.000000E+00
0.000000E+00
0.000000E+00 2.051470E+02 1 ' H (J/mol), S (J/(mol*K)), ()
3.132312E+01 3.893657E-03 -3.105337E+05 -3.349854E-07 0.000000E+00
0.000000E+00
-2.968130E+05 2.482210E+02 3
1.734500E+01 7.922700E-02 2.646000E+05 -4.563100E-05 0.000000E+00
0.000000E+00
700.000 0.000000E+00
5.164756E+01 6.297887E-03 -2.158751E+06 -1.367747E-06 0.000000E+00
0.000000E+00
2000.000 0.000000E+00
6.665800E+01 -4.478000E-03 -1.128930E+07 8.430000E-07 0.000000E+00
0.000000E+00
-1.458188E+06 9.729792E+01 1
2.405800E+02 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
-9.275245E+05 9.310607E+00 1
8.577200E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
-1.302203E+05 9.640145E+01 1
9.991399E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
-8.117000E+04 1.161520E+02 4
4.793800E+01 9.717300E-02 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
376.000 3.619000E+03
1.184100E+02 -5.818200E-02 7.920001E+04 2.231700E-05 0.000000E+00
0.000000E+00
720.000 1.172000E+03
8.372372E+01 -1.253259E-03 2.450114E+05 -6.180060E-07 0.000000E+00
0.000000E+00
1400.000 1.284500E+04
8.966300E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
-1.016710E+05 6.032100E+01 4

-2.732690E+02 7.791840E-01 8.124200E+06 0.000000E+00 0.000000E+00
0.000000E+00
411.000 1.665000E+03
7.235800E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
598.000 3.970000E+02
9.458400E+01 -8.366901E-02 1.411000E+05 4.794300E-05 0.000000E+00
0.000000E+00
1465.000 3.246400E+04
6.255100E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
0.000000E+00 3.316400E+01 2
4.057800E+01 -1.132500E-02 -3.284000E+05 9.800000E-06 0.000000E+00
0.000000E+00
1358.000 1.313800E+04
3.284400E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
5 1 2 5 7 8 ' Raw materials, and their serial numbers
298.150 298.150 298.150 298.150 298.150
2 ' ^ Temperatures of the raw materials (K)
13 ' Number of equilibria to be calculated
3 3 3 2 2 ' 2 = constant input amount, 3 = increases
1.0000000E-03 1.8850000E+00 ' Amount of raw material 1., step (mol)
1.0000000E-03 5.0000000E-01 ' Amount of raw material 2., step (mol)
1.0000000E+00 ' Amount of raw material 7. (mol)
10 ' Exit
' 9 = Activity Coefficients if values other
than 1

Input File for SOLGASMIX Program (Amounts in mole s)

0 ' 0 = mole mode, 1= gram mode
6 4 1 3 3 2 ' Elements, phases, inv. phases, and
' ^ number of components / phase 1., etc.
'N2(g) ' 2.00 0.00 0.00 0.00 0.00 0.00 '
stoichiomet.
'O2(g) ' 0.00 2.00 0.00 0.00 0.00 0.00 ' matrix
'SO2(g) ' 0.00 2.00 1.00 0.00 0.00 0.00
'*2FeO*SiO2(l) ' 0.00 4.00 0.00 2.00 1.00 0.00
'SiO2(l) ' 0.00 2.00 0.00 0.00 1.00 0.00
'Cu2O(l) ' 0.00 1.00 0.00 0.00 0.00 2.00
'Cu2S ' 0.00 0.00 1.00 0.00 0.00 2.00
'FeS ' 0.00 0.00 1.00 1.00 0.00 0.00
'Cu ' 0.00 0.00 0.00 0.00 0.00 1.00
4
2.919177E+01 -1.121312E-03 0.000000E+00 4.091976E-06 0.000000E+00
0.000000E+00
400.000 0.000000E+00 ' ^ A, B, C, D, E, F (J/(mol*K))
2.255176E+01 1.320889E-02 3.129632E+05 -3.389040E-06 0.000000E+00
0.000000E+00
3.684012E+01 2.594080E-04 -5.478948E+06 0.000000E+00 0.000000E+00
0.000000E+00
0.000000E+00 2.051470E+02 1 ' H (J/mol), S (J/(mol*K)), ()
3.132312E+01 3.893657E-03 -3.105337E+05 -3.349854E-07 0.000000E+00
0.000000E+00
-2.968130E+05 2.482210E+02 3
1.734500E+01 7.922700E-02 2.646000E+05 -4.563100E-05 0.000000E+00
0.000000E+00
700.000 0.000000E+00
5.164756E+01 6.297887E-03 -2.158751E+06 -1.367747E-06 0.000000E+00
0.000000E+00
2000.000 0.000000E+00
6.665800E+01 -4.478000E-03 -1.128930E+07 8.430000E-07 0.000000E+00
0.000000E+00
-1.458188E+06 9.729792E+01 1
2.405800E+02 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
-9.275245E+05 9.310607E+00 1
8.577200E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
-1.302203E+05 9.640145E+01 1
9.991399E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
-8.117000E+04 1.161520E+02 4
4.793800E+01 9.717300E-02 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
376.000 3.619000E+03
1.184100E+02 -5.818200E-02 7.920001E+04 2.231700E-05 0.000000E+00
0.000000E+00
720.000 1.172000E+03
8.372372E+01 -1.253259E-03 2.450114E+05 -6.180060E-07 0.000000E+00
0.000000E+00
1400.000 1.284500E+04
8.966300E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
-1.016710E+05 6.032100E+01 4
-2.732690E+02 7.791840E-01 8.124200E+06 0.000000E+00 0.000000E+00
0.000000E+00

411.000 1.665000E+03
7.235800E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
598.000 3.970000E+02
9.458400E+01 -8.366901E-02 1.411000E+05 4.794300E-05 0.000000E+00
0.000000E+00
1465.000 3.246400E+04
6.255100E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
0.000000E+00 3.316400E+01 2
4.057800E+01 -1.132500E-02 -3.284000E+05 9.800000E-06 0.000000E+00
0.000000E+00
1358.000 1.313800E+04
3.284400E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
5 1 2 5 7 8 ' Raw materials, and their row numbers in the stoichiometry
matrix
298.150 298.150 298.150 298.150 298.150
1.0000000E-03 1.8850000E+00 ' Amount of raw material 1., step (mol)
10 ' Exit

Input File for SOLGASMIX (Input amounts in grams)
1 ' 0 = mole mode, 1= gram mode
6 4 1 3 3 2 ' Ele m e nts, phase s, in v. ph ase s, and nu m be r of com pone n ts / phase 1...
'N2(g) ' 2.00 0.00 0.00 0.00 0.00 0.00 '
stoichiomet.
'O2(g) ' 0.00 2.00 0.00 0.00 0.00 0.00 ' matrix
'SO2(g) ' 0.00 2.00 1.00 0.00 0.00 0.00
'*2FeO*SiO2(l) ' 0.00 4.00 0.00 2.00 1.00 0.00
'SiO2(l) ' 0.00 2.00 0.00 0.00 1.00 0.00
'Cu2O(l) ' 0.00 1.00 0.00 0.00 0.00 2.00
'Cu2S ' 0.00 0.00 1.00 0.00 0.00 2.00
'FeS ' 0.00 0.00 1.00 1.00 0.00 0.00
'Cu ' 0.00 0.00 0.00 0.00 0.00 1.00
14.007 ' N Mol. Weight g/mol
15.999 ' O
32.060 ' S
55.847 ' Fe
28.086 ' Si
63.546 ' Cu
4
2.919177E+01 -1.121312E-03 0.000000E+00 4.091976E-06 0.000000E+00
0.000000E+00
400.000 0.000000E+00 ' ^ A, B, C, D, E, F (J/(mol*K))
2.255176E+01 1.320889E-02 3.129632E+05 -3.389040E-06 0.000000E+00
0.000000E+00
3.684012E+01 2.594080E-04 -5.478948E+06 0.000000E+00 0.000000E+00
0.000000E+00
0.000000E+00 2.051470E+02 1 ' H (J/mol), S (J/(mol*K)), ()
3.132312E+01 3.893657E-03 -3.105337E+05 -3.349854E-07 0.000000E+00
0.000000E+00
-2.968130E+05 2.482210E+02 3
1.734500E+01 7.922700E-02 2.646000E+05 -4.563100E-05 0.000000E+00
0.000000E+00
700.000 0.000000E+00
5.164756E+01 6.297887E-03 -2.158751E+06 -1.367747E-06 0.000000E+00
0.000000E+00
2000.000 0.000000E+00
6.665800E+01 -4.478000E-03 -1.128930E+07 8.430000E-07 0.000000E+00
0.000000E+00
-1.458188E+06 9.729792E+01 1
2.405800E+02 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
-9.275245E+05 9.310607E+00 1
8.577200E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
-1.302203E+05 9.640145E+01 1
9.991399E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
-8.117000E+04 1.161520E+02 4
4.793800E+01 9.717300E-02 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
376.000 3.619000E+03
1.184100E+02 -5.818200E-02 7.920001E+04 2.231700E-05 0.000000E+00
0.000000E+00
720.000 1.172000E+03
8.372372E+01 -1.253259E-03 2.450114E+05 -6.180060E-07 0.000000E+00
0.000000E+00
1400.000 1.284500E+04
8.966300E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00

0.000000E+00
-1.016710E+05 6.032100E+01 4
-2.732690E+02 7.791840E-01 8.124200E+06 0.000000E+00 0.000000E+00
0.000000E+00
411.000 1.665000E+03
7.235800E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
598.000 3.970000E+02
9.458400E+01 -8.366901E-02 1.411000E+05 4.794300E-05 0.000000E+00
0.000000E+00
1465.000 3.246400E+04
6.255100E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
0.000000E+00 3.316400E+01 2
4.057800E+01 -1.132500E-02 -3.284000E+05 9.800000E-06 0.000000E+00
0.000000E+00
1358.000 1.313800E+04
3.284400E+01 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
0.000000E+00
5 1 2 5 7 8 ' Raw m ate rials, and the ir row n um be rs in the stoichiom e try m atrix
298.150 298.150 298.150 298.150 298.150
2.8013401E-02 5.2805256E+01 ' Amount of raw material 1., step (g)
1.5915201E+02 ' Amount of raw material 7. (g)
1.7581400E+02 ' Amount of raw material 8. (g)
10 ' Exit
Case 1: Hydration of Magnesia Chrome Bricks

Magnesia chrome bricks are widely used as a lining material in pyrometallurgical
applications because of their stability in process conditions. However, at room
temperatures they easily react with moisture and crumble due to hydration reactions. HSC
software can be used to estimate the lowest temperature, which must be exceeded to
prevent such reactions and to specify these reactions.
Magnesia chrome bricks contain magnesium, chromium, iron and oxygen. All species,
which contain these elements and hydrogen, can easily be collected to the Equilibrium
module from the database. The following ideas were used to specify the system (see Fig
2):
- Metallic substances were removed, as they are not needed in these conditions.
- Gas species (16) were inserted in the gas phase.
- Other species (25) were assumed to exist as pure substances (invariant phases),
because of the low temperatures where molten mixtures do not exist.
- MgO, Cr2O3 and Fe2O3 raw materials were added according to their amount in
the brick: MgO 60, Cr2O3 18 and Fe2O3 14 kg.
- Water gas was added to the gas phase. The amount was set slightly higher than
needed to hydrate all species in the brick.
- A small amount of nitrogen was added to the gas phase.
The results of the calculations are shown in Fig. 1. This diagram shows that hydration of
the bricks is possible if the temperature of the lining is lower than 270 °C. Hydration
damage is caused only due to the formation of magnesium hydroxide; the chromium and
iron do not take part in hydration reactions. Magnesium oxide (periclase) forms the matrix
of the brick, therefore hydration of magnesium oxide crumbles the whole construction.
Figure 1. Calculation results for hydration of magnesia chrome brick.


Hydration of Magnesia Chromite Brick
File Format: GIBBS C:\Hsc5\Gibbs\Ankrom01.igi
Pure Substances in the Last Phase YES
Increase Temperature 101 Steps Criss-Cobble On
Temperature Range: 1000.000 0.000 C
Pressure Range: 1.000 1.000 bar
SPECIES Temper. Amount Amount Step Step Activity

Formula C kmol % kmol % Coeff.
PHASE 1: 5.000 100.000
N2(g) 25.000 1.000 20.000 1.000
H2O(g) 25.000 4.000 80.000 1.000
H2(g) 25.000 1.000
O2(g) 25.000 1.000
Cr(g) 25.000 1.000
CrO(g) 25.000 1.000
CrO2(g) 25.000 1.000
CrO3(g) 25.000 1.000
Fe(g) 25.000 1.000
FeO(g) 25.000 1.000
Fe(OH)2(g) 25.000 1.000
Mg(g) 25.000 1.000
Mg2(g) 25.000 1.000
MgH(g) 25.000 1.000
MgO(g) 25.000 1.000
MgOH(g) 25.000 1.000
Mg(OH)2(g) 25.000 1.000
PURE SUBSTANCES: 1.695 100.000
Cr2FeO4 25.000 1.000
Cr2MgO4 25.000 1.000
CrO2 25.000 1.000
CrO3 25.000 1.000
Cr2O3 25.000 0.118 6.988 1.000
Cr5O12 25.000 1.000
Cr8O21 25.000 1.000
Cr(OH)2 25.000 1.000
Cr(OH)3 25.000 1.000
Fe2MgO4 25.000 1.000
Fe0.945O 25.000 1.000
Fe0.947O 25.000 1.000
FeO 25.000 1.000
FeO1.056 25.000 1.000
Fe2O3 25.000 0.088 5.173 1.000
Fe3O4 25.000 1.000
Fe(OH)2 25.000 1.000
Fe(OH)3 25.000 1.000
Fe2O3*H2O 25.000 1.000
H2O 25.000 1.000
MgCr2O3 25.000 1.000
MgFe2O4 25.000 1.000
MgO 25.000 1.489 87.839 1.000
MgO2 25.000 1.000
Mg(OH)2 25.000 1.000
Figure 2. Specification of phases and species in the Magnesia Chrome brick example.
Case 2: Ammonia Synthesis (by Panu Talonen)

Ammonia was expensive to produce before the current process, which uses high pressure
and iron catalyst, was invented. The synthesis is usually made at temperature of 370 – 540
°C. The effect of pressure on the ammonia formation can easily be evaluated with HSC
Equilibrium module. The formation reaction can be written as follows:
N2(g) + 3 H2(g) -> 2NH3(g)
The number of gas moles decreases in this reaction and therefore high pressure may be
assumed to favor the synthesis. The equilibrium calculation may be carried out as
described in Chapter 13. The chemical system specification and other calculation
parameters are shown in Fig. 2. The calculations are carried out by increasing the
pressure from 0.001 to 1000 bar at a constant temperature of 480 °C.
The calculated results are shown in Fig. 3. It is easy to see that at normal 1 bar pressure it
is quite impossible to produce high amounts of ammonia. It also seems that synthesis
should be done at the highest possible pressure. However, modern ammonia plants
operate at about 150 bar pressure for economic reasons. The ammonia is condensed from
the gas mixture and the unreacted hydrogen and nitrogen are recycled back to the reactor.
Figure 3. Calculation results for ammonia synthesis example.

Ammonia Synthesis at 480 °C

File Format: GIBBS C:\Hsc5\Gibbs\Ammonia.igi
Increase Pressure 51 Steps Criss-Cobble On

PHASE 1: 4.001 100.000
H(g) 25.000 1.000
H2(g) 25.000 3.000 74.981 1.000
HN3(g) 25.000 1.000
N(g) 25.000 1.000
N2(g) 25.000 1.001 25.019 1.000
N3(g) 25.000 1.000
NH(g) 25.000 1.000
NH2(g) 25.000 1.000
NH3(g) 25.000 1.000
N2H2(g) 25.000 1.000
N2H4(g) 25.000 1.000
N3H(g) 25.000 1.000
NH(H3)2(g) 25.000 1.000
PURE SUBSTANCES:
NH4N3 25.000 1.000
Figure 4. Specification of phases and species in ammonia synthesis example.

Case 3: Decomposition of MgCl2*6H2O

All compounds will decompose if the temperature is high enough. Especially substances
with combined water will decompose at quite low temperatures. The decomposition
temperatures may be found from many different handbooks, but they may also be
calculated with the HSC Equilibrium module if the basic data is available in the HSC
database. Magnesium chloride forms a MgCl2*6H 2O compound which decomposes
according to the reaction:
MgCl2*6H 2O -> MgCl2*4H 2O + 2H2O(g)
MgCl2*4H 2O -> MgCl2*2H 2O + 2H2O(g), etc.
The decomposition temperature as well as the decomposition vapor pressure may be
calculated using the chemical system specification shown in Fig. 5. The user must specify
all possible condensed phases as well as a gas phase. Ple ase note : A) Small nitrogen
amount stabilize the gas phase, B) small Cl2(g) and O2(g) amounts shift the material
balance out from stoichiometric one and C) Mg(g) allows magnesium to enter the gas
phase also.
The results of the calculations are shown in Figs. 6 and 7. The decomposition seems to
start at 100 °C, see Fig. 6. The vapor composition is drawn in Fig. 7 by selecting the
Equilibrium Composition option. This diagram shows that the vapor pressure of water is
0.67 bar at 175 °C and 1 bar total pressure. To calculate vapor pressure at higher
temperatures, the total pressure must be increased, for example, to 10 bar.
Decomposition of MgCl2*6H2O at 1 bar
File Format: GIBBS C:\Hsc5\Gibbs\Mgcl2.igi

PHASE 1: 0.100 100.000
N2(g) 25.000 0.100 99.980 1.000
Cl2(g) 25.000 0.000 0.010 1.000
HCl(g) 25.000 1.000
H2O(g) 25.000 1.000
O2(g) 25.000 0.000 0.010 1.000
H2(g) 25.000 1.000
Mg(g) 25.000 1.000
MgCl2*6H2O 25.000 1.000 100.000 1.000
MgCl2*4H2O 25.000 1.000
MgCl2*2H2O 25.000 1.000
MgCl2*H2O 25.000 1.000
MgCl2 25.000 1.000
Mg(OH)Cl 25.000 1.000
MgO 25.000 1.000
H2O 25.000 1.000
Figure 5. Specification of phases and species in MgCl2*6H2O example.
Figure 6. Calculation results for MgCl2*6H 2O decomposition example.

Figure 7. Vapor composition at a total pressure of 1 bar.

Case 4: Decomposition of FeSO 4*7H2O (by Ben Karlemo)

Thermal decomposition of a chemical compound will sometimes give valuable information
of its behaviour in a real chemical process. This evaluation may be carried out with the
HSC Equilibrium module and with a thermo-gravimetric analyzer. These evaluations have
been made in this example for FeSO4*7H2O. The chemical system specifications for the
HSC equilibrium module are shown in Fig. 8. Ple ase note (see Chapter 13.4): A) The
small amount of nitrogen stabilizes the gas phase, B) the small amount 1E-5 kmol of O2(g)
shifts the material balance away from the stoichiometric one, C) Fe(g) allows iron to enter
the gas phase also, and D) Solgasmix routine has been used. The results are shown in Fig.
9.
The hydrates gradually decompose at 50 to 200 °C and sulfates at 400 to 650 °C.
Hematite will reduce to magnetite at 1250 °C. These results may be used to explain the
experimental thermo-gravimetric results shown in Fig. 10. The TG curve shows the actual
weight change and the DSC curve shows the enthalpy change compared to the reference
test.
Decomposition of FeSO4*7H2O at 1 bar

File Format: GIBBS C:\Hsc5\Gibbs\Feso4.igi

PHASE 1: 0.004 100.000
N2(g) 25.000 0.004 99.990 1.000
O2(g) 25.000 0.000 0.010 1.000
SO2(g) 25.000 1.000
S2(g) 25.000 1.000
H2S(g) 25.000 1.000
H2O(g) 25.000 1.000
H2(g) 25.000 1.000
Fe(g) 25.000 1.000
FeSO4*7H2O 25.000 0.360 100.000 1.000
FeSO4*4H2O 25.000 1.000
FeSO4*H2O 25.000 1.000
Fe2(SO4)3 25.000 1.000
FeSO4 25.000 1.000
FeO*OH 25.000 1.000
FeO 25.000 1.000
Fe2O3 25.000 1.000
Fe3O4 25.000 1.000
H2O 25.000 1.000
Figure 8. The specification of phases and species for the equilibrium calculations.
Figure 9. The result of the calculated decomposition of FeSO4*7H2O.
The theoretical and experimental weight change curves are compared in Fig. 11, which is
calculated in MS Excel. Both curves are in quite good correlation with each other. The
decomposition occurs at slightly higher temperatures in the experimental results than in the
calculated ones, but this may be explained by some kinetic effects. The final weight of the
sample was nearly the same in the experimental and theoretical results at high
temperatures. The decomposition reactions may also be verified by comparing the
analyzed and the calculated gas composition with each other.
Figure 10. Results of FeSO4*7H2O run on NETSCH TG-DSC analyzer under nitrogen atmosphere
showing TG and DSC curves. Heating rate was 5 °C/min.
Figure 11. The comparison of the measured and calculated mass change of
FeSO 4*7H2O.
Case 5: Alkali circulation in Blast Furnace (by Riku Sarkkinen)

Alkali metals tend to enrich in the iron blast furnace. The alkali content in raw materials
(pellets, sinter and coke) is not so high, but they evaporate at the bottom part of the
furnace (~1500 °C) and do not exit with the products (slag, iron) easily. Neither do they
exit with the process gas, which goes upward, because the temperature is quite low at the
top of the furnace (~100 °C). This problem may be evaluated with the HSC Equilibrium
module.
The chemical system specification is shown in Fig. 13. The raw material amounts are
based on the following assumptions: Coke ash analysis (main components): SiO2 53, CaO
3, MgO 2, and Al2O 3 27 wt %. Process gas is formed by air reaction with coke, the main
components in the gas phase are CO(g), CO2(g) and N2(g). The alkali elements are K
and Na. The calculations are carried out as described in Chapter 13 by increasing the
temperature from 500 to 2000 °C. Iron has not been taken into account because the alkali
circulation occurs above the liquid iron zone. Equilibrium calculations were made as
described in Chapter 13.
The calculation results are shown in Fig. 12. At high temperatures almost all the sodium
and most of the potassium seems to be in elemental form in the gas phase. These gas
species flow with the main process gases upward where cold charge materials decrease
the temperature and alkalis react with the slag components. The reaction products are
mainly sodium and potassium carbonates, sodium silicates and potassium alumina silicates.
These solid compounds flow downwards with the blast furnace charge materials to the
high temperature zone at the bottom of the furnace, where the alkali components vaporize
again, which leads to the alkali circulation.
Figure 12. Equilibrium results of alkalis and slag components as a function of temperature.
File Format: GIBBS C:\Hsc5\Gibbs\Alkal1.igi


PHASE 1: 197000.000 100.000
AlO(g) 25.000 1.000
CO(g) 25.000 1.000
CO2(g) 25.000 1.000
Ca(g) 25.000 1.000
K(g) 25.000 4000.000 2.030 1.000
K2(g) 25.000 1.000
K2CO3(g) 25.000 1.000
KNa(g) 25.000 1.000
KO(g) 25.000 1.000
Mg(g) 25.000 1.000
MgO(g) 25.000 1.000
N2(g) 25.000 150000.000 76.142 1.000
Na(g) 25.000 3000.000 1.523 1.000
Na2(g) 25.000 1.000
NaO(g) 25.000 1.000
O(g) 25.000 1.000
O2(g) 25.000 40000.000 20.305 1.000
SiO(g) 25.000 1.000
PHASE 2: 1417.000 100.000
AlO 25.000 1.000
Al2O3 25.000 300.000 21.171 1.000
Al2O3*SiO2(D) 25.000 1.000
Ca2Al2SiO7 25.000 1.000
Ca3Al2Si3O12 25.000 1.000
CaO 25.000 60.000 4.234 1.000
Ca2SiO4(A) 25.000 1.000
KAlO2 25.000 1.000
KAlSiO4 25.000 1.000
K2CO3 25.000 1.000
K2O 25.000 1.000
K2O*Al2O3*2SiO2 25.000 1.000
K2O*SiO2 25.000 1.000
K2O*2SiO2 25.000 1.000
MgO 25.000 57.000 4.023 1.000
MgSiO3 25.000 1.000
Na2CO3 25.000 1.000
Na2O 25.000 1.000
Na2O*Al2O3 25.000 1.000
*2Na2O*SiO2 25.000 1.000
Na2SiO3 25.000 1.000
SiO2 25.000 1000.000 70.572 1.000
PHASE 3:
Al 25.000 1.000
Ca 25.000 1.000
K 25.000 1.000
Mg 25.000 1.000
Na 25.000 1.000
Si 25.000 1.000
C 25.000 70000.000 100.000 1.000
Al4C3 25.000 1.000
Na2C2 25.000 1.000
SiC 25.000 1.000
Figure 13. Specification of phases and species in the Blast Furnace example.

15. CELL EQUILIBRIA
Fig. 1. Input data for the Cell program.
The CELL module calculates the equilibrium composition of an electrochemical cell using
the same calculation method as the GIBBS-solver. However, the CELL module is
especially designed for electrochemical cell calculations.
In addition to the phase compositions it also gives the electrochemical potentials of the
electrodes. The user gives input data for the CELL program in the Cell Equilibrium
window, see Fig. 1.
Brie f Instructions:
In the Cell Equilibrium window you can give the input data required for the calculations
and save the input data for the CELL program. You can see examples of the data by
selecting Ope n from the File menu. Please do this before making your own input files for
CELL.
1. You can move in the spreadsheet using the mouse or arrow keys.
2. If you want to edit the cell double click with the mouse or simply start typing. Use

Esc ke y to undo typing.
3. When you are satisfied with the formula or number, press Ente r, Down or Up
ke ys. You can also click another cell with the mouse.
4. Type the name of the first species into the Species column. Note that you must
start filling in the spreadsheet from the first row.
5. You can first type all species and then edit the temperature and amount values, or
you can give these values after every species name input.
6. You can toggle between degrees Celsius and Kelvins by selecting C or K from the
Units menu and from moles to kilograms (or Nm3 for gases) by the mol selection.
7. You must divide the species into phases in the same way as described in normal
equilibrium calculations, see examples in Chapter 15.2.
8. Every phase must have its own phase row. All species under this phase row until
the next phase row belong to this same phase.
9. For every phase you must at least specify its Type (Gas, Liquid, ...). You must also
specify the Anode and Cathode phases. You can also give a name and capacitance
for the phases.
10. If you want to change the order of species, simply use Inse rt Row, Copy and
Paste or the Drag and Drop technique described in Chapter 20. Diagram
Graphics.
11. You can also insert and delete rows by pressing Ins Row and De l Row.
12. You can give Extra Balance s as a table or matrix in the Extra Balances Box. For
example:
13 1 ' Species 13: Oxidation number of e-(Pt)
17 -4 ' Species 17: Oxidation number of O2(g)
Q 0 ' Discharge amount: Q/F (mol)
Extra Balance s makes it possible to calculate potentials of electrodes and

chemical compositions of phases at different discharge states of an electrochemical
cell.
You must first define the species numbers, which react at the anode or cathode, as
well as their oxidation numbers. In the example oxygen gas O2(g) is decomposed
on a cathode, its oxidation number is 2 * (-2) = -4. The oxidation number of an
electron is always 1.
The discharge amount defines the amount of electricity, which is transferred from
anode to cathode in the equilibrium. By changing the discharge amount you can
calculate potentials and compositions at different discharge states of the cell. Note:
Q = Amount of electricity in As (charge)
F = Faraday's constant, 96487 As/mol
13. When you are satisfied with the data, save it by pressing Save .
14. After saving you can go to the CELL-program by pressing Ce ll.
Additional Information:
You can obtain more information on the CELL program and the thermodynamics in the
background using He lp as well as from the original publications of the authors7,8.
15.1 Cell Module
Fig. 2. Cell program.
The CELL-program calculates the equilibrium configuration of chemical and

electrochemical systems and cells, half cells, fuel cells, as well as secondary and primary
batteries.
For a complete cell with two or more electrodes, the total charge and the amount of atoms
present in the system are not sufficient conditions of equilibrium. The additional constraint
used in the CELL routine is the so-called DISCHARGE EQUATION. This describes
how much charge can be transferred from the cathode to the anode due to the redox
reactions taking place in the cell before the equilibrium state is reached from the initial
equilibrium state, see the example fucell.ice. These constraints can be defined in the
Extra Balance s box, see Fig. 1.
Running the program:
1. Open input data file with the option "File |Ope n..."
2. Select the option "Run|Calculate ". The program will then calculate the equilibrium

state. If you want to change the number of iterations, choose the "Run|Maximum
rounds" option which gives the new number of iterations. The default value is 200.
You may interrupt the calculation by pressing any key or the mouse button.
3. Answer YES to the question "Do you want to save equilibrium data?" if you want
to save results in input data file format on the file "Equil.ice". Otherwise select NO.
4. You can return to the HSC Main menu by selecting "File |Exit".
With the options "File |Vie w input file" and "File |Vie w output file" you can view the input
file and output file, respectively. You may also send files to the printer with the Print
option in the viewing window.
16. FORMULA WEIGHTS
Fig. 1. Formula Weights.
This simplest calculation option of HSC Chemistry is a versatile routine for calculating
formula weights. As input, it accepts almost any form of chemical formula using
conventional organic or inorganic expressions. Typical entries may be:
NaBO3*4H2O, H2Sn(OH)6, (C2H5)2O, Fe0.998O, etc.
You can collect several results on the sheet. Cle ar will clear the whole sheet. You can
print the results using Print. The Formula Weight option uses the same routine for
calculating the formula weights and elemental composition as all other calculation options
in the HSC. Therefore you can test the correct formula formats in this option. Copy will
copy the results into the clipboard. Note that you can copy and paste cell ranges also.
You can select mol or kg units for column E as well as the total amount from the box at
top right corner of the form. By pressing mouse right button you can, for example, modify
number format.
Limitations:
1. Superscripts and subscripts are not allowed.
2. Inner parentheses are not allowed, for example:
H2(Sn(OH)6) is not a valid formula. Use H2Sn(OH)6 instead.
3. Last parentheses are always reserved for species type declarations, for example:
As(g) Arsenic gas C Carbon
O2(g) Oxygen gas C(D) Diamond
Fe(l) Liquid iron FeS2 Pyrite

OH(-a) Aqueous OH ion FeS2(M) Marcasite
If you want to write the following formula; AlO(OH) Not valid

please write it in one of the following ways: AlO2H Valid
(Last parenthesis are reserved for suffix) AlO*(OH) Valid
AlO*OH Valid
Antti Roine , Kai Anttila August 10, 2006 06120-ORC-T
17. Eh - pH - DIAGRAMS (Pourbaix-diagrams)
Eh-pH-diagrams show the thermodynamic stability areas of different species in an

aque ous solution. Stability areas are presented as a function of pH and electrochemical
potential scales. Usually the upper and lower stability limits of water are also shown in the
diagrams with dotted lines. Traditionally these diagrams have been taken from different
handbooks12. However, in most handbooks these diagrams are available only for a limited
number of temperatures, concentrations and element combinations.
The Eh-pH module of HSC Chemistry allows the construction of diagrams in a highly
flexible and fast way, because the user can draw the diagrams exactly at the selected
temperature and concentration.
The Eh-pH-module is based on STABCAL - Stability Calculations for Aqueous Systems -
developed by H.H. Haung, at Montana Tech., USA9,10.
17.1 Introduction
Eh-pH-diagrams are also known as Pourbaix Diagrams according to author of the famous
Pourbaix diagram handbook12. The most simple type of these diagrams is based on a
chemical system consisting of one element and water solution, for example, the
Mn-H 2O-system. The system can contain several types of species, such as dissolved ions,
condensed oxides, hydroxides, oxides, etc. The Eh-pH-diagram shows the stability are as
of these species in the redox potential-pH-coordinates.
Usually the re dox pote ntial axis is based on the Standart Hydrogen Electrode (SHE) scale
designated Eh, but other scales can also be used. The redox potential of the system
represents its ability to change electrons. The system tends to remove electrons from the
species when the potential is high (Eh > 0). These conditions may exist near the anode in
the electrochemical cell, but can also be generated with some oxidizing agents (Cu + H2O 2
= CuO + H 2O). In reducing conditions, when potential is low (Eh < 0), the system is able to
supply electrons to the species, for example, with a cathode electrode or with some
reducing agents.
The pH of the system describes its ability to supply protons (H(+a)) to the species. In acid
conditions (pH < 7) the concentration of the protons is high and in caustic conditions (pH >
7) the concentration of protons is low.
Usually a large amount of different species exist simultaneously in the aqueous mixtures in
fixed Eh-pH-conditions. The Pourbaix diagrams simplify this situation a lot by showing only
the predominant species which content is highest in each stability areas. The line s in the
diagrams represent the Eh-pH-conditions where the content of the adjacent species is the
same in the equilibrium state. However, these species always exist in small amounts on both
sides of these lines and may have an effect on practical applications.
The lines in the diagrams can also be represented with chemical reaction equations. These
reactions may be divided into three groups according to reaction types:
1. Horizontal line s. These lines represent reactions that are involved with electrons,
but are independent of pH. Neither H(+a)-ions nor OH(-a)-ions participate to these
reactions.
2. Diagonal line s with either positive or negative slope. These lines represent reactions

that are involved with both electrons and H(+a)-and OH(-a)-ions.
3. Ve rtical line s. These lines represent reactions that are involved either with H(+a)-
or OH(-a)-ions, but are independent of Eh. In other words, electrons do not
participate with these reactions.
The chemical stability are a of the wate r is shown in the Eh-pH-diagrams with dotted
lines. The upper stability limit of water is based on the potential when the oxygen generation
starts on the anode. It is specified by the reaction:
2 H2O = O2(g) + 4 H(+a) + 4 e -

The lower stability limit is based on hydrogen formation on the cathode. It is specified by
the reaction:
2 H(+a) + 2 e - = H 2(g)
The construction of the diagrams with HSC Chemistry EpH module is quite a simple task.
However, several aspects must be taken into account when specifying the chemical system
and analyzing the calculation results, for example:
1. A basic knowle dge of chemistry, aqueous systems and electrochemistry or
hydrometallurgy is always needed in order to draw the correct conclusions.
2. The EpH module carries out the calculations using pure stoichiome tric
substance s. In practice minerals may contain impurity elements and the composition
may deviate slightly from the stoichiometric one.
3. There are always some e rrors in the basic thermochemical data of the species. This
may have significant effect on the results, especially if the chemical driving force of
the reaction is small. Usually small differences between Pourbaix diagrams from
different sources can be explained by the slightly different basic data used.
4. Sometimes data for all existing spe cie s is not available from the HSC database or
from the other sources. This will distort the results if the missing species are stable in
given conditions. The missing unstable species will have no effect on the results.
5. The EpH module does not take into account the non-ide al behavior of aque ous
solutions. However, in many cases these ideal diagrams give a quite good idea of
the possible reactions in aqueous solutions, especially if the driving force of the
reactions is high.
6. Thermochemical calculations do not take into account the spe e d of the re actions
(kinetics). For example, the formation of the SO4(-2a) ion may be a slow reaction. In
these cases metastable diagrams created by removing such species from the system
may give more consistent results with the experimental laboratory results.
The HSC user must be very careful when drawing conclusions from Eh-pH-diagrams due
to these limitations and assumptions. However, these diagrams may offer extremely
valuable information when combining the results with the experimental work and with a
good knowledge of aqueous chemistry. There is no universal kinetic or thermochemical
theory available, which could entirely substitute traditional experimental laboratory work
with pure theoretical calculation models.
More information on Eh-pH-diagrams, calculation methods and applications can be found
from different handbooks, for example, from the Pourbaix Atlas12.

17.2 Chemical System Specifications
Fig. 1. Selecting elements and species for the Eh - pH - diagram.
The EpH Diagram selection in the HSC main menu will show the EpH-form, Fig. 1. The
user must specify the chemical system, which will be used to calculate the diagram in this
form. Assume that system contains Cu, S and H2O. The following steps should be specified
in order to create the diagram:
1. Se le ct Main Ele me nt: Select one element from the list. This element will be used
as the “main” element in the first diagram, i.e. all species, which are shown in the
diagram, will contain this element. The user can easily change the main element
selection later on in the diagram form, see Fig. 3. The Cu has been selected in this
example, but S may be selected to main element by pressing S button in Fig. 3.
2. Se le ct Othe r Ele me nts: Select other elements to the system. Up to 7 elements can
be selected but it is recommended to use less, because large amount of elements and
species increase calculation time and could cause some other problems. S has been
selected in this example. Note : It is not necessary to select H and O, because these
are always automatically included.
3. Se arch Mode : This selection specifies the type of species, which will be collected

from the database. It is recommended to use default selections. Note : Condensed =
solid substances, Aqueous Neutrals =dissolved species without charge, Aqueous
Ions = dissolved ions, Gases = gaseous species without charge, Gas Ions = gaseous
ions, and Liquids = liquid species.
4. OK: Press OK to start the search from the database.
5. Se le ct Spe cie s: Usually you can select all species to the diagram by pressing All. In
some cases, however, it is useful to remove unnecessary species from the system.
This will decrease calculation time and simplify diagrams. Note: A) By pressing
simultaneously Ctrl-ke y and clicking with the mouse it is easy to make any kind of
selection. B) By double clicking the species it is possible to see more information of
the species. Load CUS25.IEP file to see the selected species of this example.
The selection of the species is the most critical step of the EpH calculation
specifications. Due to the kinetic reasons the formation especially of large molecules
may be take quite a long time in aqueous solutions. For example, the formation of
large polysulfide, sulfate, etc. molecules (S4O6(-2a), HS2O6(-a), HS7O3(-a), ...)
may take quite a while. If these are included into the chemical system then they may
easily consume all the sulfur and the formation of simple sulfides (AgS, Cu2S, ...)
decreases due to lack of sulfur. Therefore in some cases the large molecules should
be rejected from the chemical system.
The data of some species may also be unreliable, especially if the reliability class of
the species is not 1 in the database. Such species may be rejected from the chemical
system. Note also that species with (ia) suffix are not recommended to use, see
Chapter 28.4 for details.
6. Te mpe rature : The user must specify at least one temperature for the diagram. Up
to four temperatures may be specified in order to draw combined diagrams, which
show the effect of temperature. The temperatures 25, 50, 75 and 100 °C have been
selected in this example, Figs. 1 and 2.
7. Criss-Cobble : This option enables HSC to extrapolate the heat capacity function of
the aqueous species if this data is not given in the database11, see Chapter 28.4.
8. EpH: Press EpH to start the File Save dialog and Calculation of the diagram. You
can also press File Save in order to save the data for later use without running the
calculation procedure.
9. Diagram: Pressing the EpH button will show the Diagram specification form, see
Chapter 17.3 and Fig 2. By pressing Diagram in Fig. 2 you will see the default
diagram.
17.3 Eh - pH - Diagram Menu
Fig. 2. Default values for the Eh - pH - diagram.
The EpH-diagram menu shows a summary of the chemical system specifications as well as
selected default values for the diagram. The fastest way to go forward is to accept all the
default values and press Diagram for simple EpH diagrams or Combine for combined
diagrams. Usually at the begining, there is no need for modifications to the default values.
However, it is important to understand the meaning of these settings because they may
have strong effect on the diagram. The details of the diagram menu options are explained in
the following paragraphs.
1. File Ope n
The EpH module can also be used as an independent application, in these cases the data for
the diagram may be read from *.IEP files by pressing File Ope n. Normally the system
specifications are automatically transferred from the system specification sheet to the
diagram menu, Fig. 2.
The diagram specifications can be modified in the diagram menu. The selections can be
saved for later use with File Save IEP selection from the menu. The IEP-files may also be
edited by any text editor like Windows Notepad. Please be careful as any mistake may
cause unpredictable results. The calculation results may be saved to *.EPH file with File
Save EpH selection and loaded back with File Ope n EPH selection which causes the
diagram to be automatically recalculated.
2. Spe cie s and ∆G-data workbook

The selected species and calculated ∆G-data based on the enthalpy, entropy and heat
capacity values of the HSC database is shown on the Spe cie s she e t of the diagram
workbook, Fig. 2. The species are arranged according to elements and species type. The
user can modify the ∆G-data as well as add or remove species in this sheet. The Species
sheet makes it possible to use data and species which cannot be found in the HSC
database, for example:
A. The published Pourbaix diagrams are often based on ∆G-data which is given in the
original papers. This ∆G-data can be used in the Species sheet to replace the default
values based on the HSC database if necessary. Note that these ∆G-values can also
be calculated from the standard potential values using equation 1
∆G = − n ⋅ F ⋅ Ε , [1]
where n is the charge transferred in the cell reaction, F is the Faraday constant
(23045 cal/(V*mol)) and E is the standard electrode potential in volts. Note : Give
∆G-data for the selected temperatures, usually these values are only available at 25
°C.
B. Sometimes all necessary species are not available in the HSC database. These
missing spe cie s can be added to the chemical system specification if the user has
the ∆G-values or chemical potential data for these species. The new species may be
added by inserting empty row with Inse rt Row selection and typing formula and
∆G-values to this row.
The new species can be inserted into any location, but it is recommended to add the
same type of species sequentially, because it makes the list easier to read and update.
Note: A) Do not insert any new elements, new elements must be added in the
EpH-element selection window, Fig. 1. B) Do not create empty rows.
C. In some cases it is necessary to remove certain species from the system, e.g. if some
kinetic barriers are found to slow down the reaction rate in the experiments. Such
species can be removed by De le te Row selection.
The Labe ls and Line s sheets are in the programs internal use and it is not necessary to
make any modifications to these sheets. The Labe ls sheet contains format data for the
labels such as; text, area number, coordinates, font name and properties, and labels visibility
and orientation. The Line s sheet contains format data of the equilibrium lines of the
diagram: Species names, line area numbers, line endpoint coordinates, and line properties.
3. Te mpe rature
The Pourbaix-diagrams are drawn at a constant temperature. The user must select one

temperature for the diagram from the list of temperatures, Fig. 2. The actual temperature
values can only be changed from the system specification form, Fig. 1. No temperature
selection is needed here for the Combined diagrams.
The default ∆G-values in the Species sheet in columns 2 – 5 are calculated at the given
temperatures. The ∆G-values at column 2 are calculated using the first temperature, column
2 using the second temperature, etc.
4. Othe r parame te rs
The default values for Die le ctric Constant and ∆G of H 2 O are automatically calculated
on the basis of the selected temperature and pressure. The calculation of Dielectric
Constant is based on experimental values15 and water vapor pressure 16, which are valid
from 0 to 373 °C, and from 1 to 5000 bar. Outside this range the Dielectric Constant will be
extrapolated.
The Ion Stre ngth and Corre ction Factor constants are automatically calculated by the
program and usually they do not need to be modified by the user.
5. Pote ntial and pH scale range s

The user may change the default range (Max Eh and Min Eh) for the potential scale as
well as the range of pH scale (Max pH and Min pH). The scale settings can also be
changed by clicking the x- or y-axis on the diagram form. The minimum difference between
Min and Max values is 0.2 and there is no upper limit for the difference.
6. Molality and Pre ssure

The diagrams are calculated using constant molalities (concentrations) for all the elements.
The default values may be changed in the table in the bottom right corner of the diagram
menu, see Fig. 2. Molality values are given in mol/kg H2O units.
The total pressure of the system is also given in the Molality table. The EpH module uses
maximum value given in the Pre ssure column as the chemical system total pressure. It is
not possible to select a smaller pressure value than water vapor pressure at the selected
temperature. In other words, the total pressure must always be bigger than the water vapor
pressure at the selected temperature. The default value for the pressure is 1 bar.
7. Show Pre dominance Are as of Ions

The “Show Pre dominance Are as of Ions” selection causes the EpH-module to calculate
two diagrams for the same system. The first one is a normal Eh-pH-diagram with all
species, and the second one is the predominance diagram with only aqueous species. Both
diagrams are drawn into the same figure; the first diagram in black and the second one in
blue. This option is recommended for use only with normal Eh-pH-diagrams (see Chapter
17.4).
8. Diagram and Combine Buttons

Diagram starts the calculations and automatically shows the normal Pourbaix-diagram.
Combine will show still one more menu for combined diagram specifications, see Chapter
17.5 for more details.
9. Othe r options
The active worksheet may be printed using File Print selection. You can make changes to
the setting using normal Page Se tup, Print Se tup, and Pre vie w dialogs in the File menu.
The File Print All selection prints all three sheets.
The Edit Copy selection provides normal copy and paste operations, the Edit Copy All
selection copies all three sheets to the clipboard. The worksheet layout may be changed by
the Format menu, which contains dialogs for column width, row height, font, alignment and
number formats.
Press Exit or select File Exit when you want to return back to the system specifications
form, Fig. 1. The He lp menu opens the HSC Help dialog.
10. Example of Normal Pourbaix-Diagrams (Cu-S-H 2 O-syste m)

Accept all the default values and press Diagram. Continue from Chapter 17.4.
17.4 Normal Eh-pH-Diagrams
The calculated Eh-pH-diagrams are shown in Fig. 3. In the Diagram window it is possible,
for example, to modify the layout and format of the diagram. The solid black lines show the
stability areas of the most stable species on the pH- and Eh-scales. The dotted cyan lines
show the upper and lower stability areas of water, see Chapter 17.1. The stability areas of
ions are shown with blue dotted lines if the “Show Pre dominance Are as of Ions”option
has been selected, see Fig. 2.
1. Main Ele me nts
The Eh-pH-diagrams show only those species, which contain the selected main
element. The default main element (Cu) must be selected in the system specification form,
Fig. 1. However, the active main element can easily be changed in the diagram form by
pressing Ele me nt buttons on the upper right side of the diagram form, see Fig. 3 for the
Cu-S-H 2O diagram and Fig. 4 for the S-Cu-H 2O-diagram. Usually it is useful to check all
the diagrams with different main elements to get a better idea of the equilibria.
2. Labe ls and Line s
The EpH-module locates the area labels automatically on the widest point of the stability
areas. You can easily re locate the labels by dragging with the mouse cursor if necessary.
The text of the labels and headings can be modifie d by inserting the cursor into the correct
location within the text row and then by starting to type. You can start the Labe l Format
dialog by double clicking the label or by the Format Labe l selection. This dialog makes it
possible to change text and lines properties, such as font, type, size, line width, color, etc.
You can insert new labels using the Inse rt Labe l selection. You can delete these labels
using the De le te Labe l selection. Note that you cannot delete the default labels, but you
can hide these labels by removing all text from the label.
Fig. 3. Eh-pH-diagram of Cu-S-H2O-system at 25 °C using Cu as the main element. The molalities of Cu

and S are 1 mol/kg H 2O.
Fig. 4. Eh-pH-diagram of S-Cu-H2O-system at 25 °C using S as the main element. The molalities of Cu

and S are 1 mol/kg H 2O.
The Format H2O Stability Line s selection opens the format dialog, which makes it
possible to modify the water stability lines formats and properties. This dialog can not be
opened by double clicking the water stability lines.

3. Scale s
Fig. 5. Menu for formatting y-axis, note the different potential scale options.
The scale format dialog can be opened by double clicking the axis numbers, see Fig. 3, or
by the Format Scale selection, see Fig. 5. A special feature of the Eh-pH-diagram scale
dialog is the scale unit option. You can select between the Hydrogen, Saturated Calomel
and Ag/AgCl scales. The default scale is Hydrogen, which is used in the calculations. The
difference between the Min and Max values must be at least 0.2 units.

4. Printing
Fig. 6. EpH-Diagram Print Dialog.
You may open the Print dialog by pressing Print BW or Print Col or by selecting File
Print Spe cial, see Fig. 3. This dialog allows the user to select margins and size of the
diagram as well as the orientation, see Fig. 6. If you have a color printer you can select the
Color option. Print will print a hard copy of the diagram.
5. Othe r Options
The default diagram font dialog can be opened by pressing Font or with the Format
De fault Font selection from the menu. This dialog allows the user to set the default font,
which is saved into HSC.INI file.
Copy as well as Edit Copy selection will copy the diagram into the Windows Clipboard,
which makes it possible to paste the diagram into other Windows applications in Windows
Metafile format. Edit Copy All selection will also copy the molality and pressure values
into the diagram. Edit Copy Spe cial will copy scaled diagrams.
The Save or File Save selection will save the Eh-pH-diagram in Windows Metafile format
(*.WMF). These diagrams cannot be read back to HSC.
The Me nu or the File Exit selection will reactivate the Diagram Menu form, see Fig. 3.
The He lp selection will open the HSC Help dialog.
6. Example : Cu-S-H 2 O-Syste m

The Cu-S- and S-Cu-H2O-diagrams are shown in Figs. 3 and 4. These diagrams may give
a lot of valuable information. For example, the dissolution behavior of copper can easily be
estimated from Fig. 3. It is easy to see that in neutral and caustic solutions metallic copper
is stable near zero potential values. It will form oxides in anode conditions (Eh > 0) and
sulfides in cathode conditions (Eh < 0). However, it will dissolve as Cu(+2a) in acid

conditions at anode (Eh > 0) and precipitate on a cathode (Eh < 0) in metallic form.
17.5 Specifications for Combined Diagrams

The normal Eh-pH-diagrams show the effect of pH and potential on the stability areas of
different species. The Combine option, see Fig. 2, enables you to see the effect of other
variables on the same diagram. Basically, these combined diagrams are made by
superimposing up to four normal diagrams together. These separate diagrams can be
calculated using the main e le me nt, te mpe rature , molality (concentration) or pre ssure
as a variable. The traditional Pourbaix-diagrams12 usually show the effect of molality on the
same diagram. These combined diagrams make it easy to compare the effect of the main
process variables on the chemical system behavior.
The Combine option only draws combined diagrams for the same chemical system. Other
limitations are the same as for the normal Eh-pH diagrams. Note that the user may select
different variables to be used simultaneously in the same combined diagram. However, it is
strongly recommended to use only one variable, such as molality or temperature,
because multivariable combined diagrams will be difficult to read. The combined diagram
may become extremely complicated if more than two different main elements are selected
in one diagram.
1. Che mical Syste m Spe cifications
The chemical system specifications for the combined diagrams are made exactly in the
same manner as for normal diagrams, see Chapter 17.2. The Fe-S-H2O-system is used
here as an example when the combined diagrams approach and properties are described.
The selections are shown in Fig. 7. The available temperatures must be specified in the
system specifications form, Fig 1.
2. Eh-pH-Diagram Me nu
The modification of the chemical system as well as other settings are made in Diagram
Me nu in the same way as for the normal diagrams described in Chapter 17.3. In this
example no changes were made into the default selections. The only action was to press
Combine , see Fig. 2.
3. Combine Me nu
The variable, which is used to draw the combined diagrams, is selected in the Combine
Me nu, see Fig. 8. The user may select up to four data sets to be used in the calculations
with the Se le ct option. Each data set specifies settings for one normal diagram, which will
be included in the combined diagram.
The basic idea is that all values must originally be the same in each data set. Re se t Value s
will restore the original values. The user may then give different values for one variable in
each data set. The molality of iron has been selected for the variable in Fig. 8 by giving the
value 1.00E+00 for Data Set 1, 1.00E-03 for Data Set 2 and 1.00E-06 for Data Set 3. The
Se le ct option and Line Te xt are usually automatically selected whenever a data set is
modified.
A combined diagram can be drawn by pressing Diagram when the variable values for the
data sets have been given.
Different variables can be used simultaneously in each data set. However, it is

recommended to use only one variable because multivariable diagrams are difficult to read.
Note also that only the Hydrogen electrode potential is available if more than one
temperature is used for the combined Eh-pH-diagram.
Fig. 7. Specification of an Fe-S-H2O-system for an Eh-pH-diagram.

Fig. 8. Specification of a combined diagram layout for an Fe-S-H2O system.

The Line Te xt options specify which variable values are used as line labels. Usually the
combined diagrams are so complicated that labels on the lines are needed to distinguish the
lines of different data sets from each other. The line labels are automatically located in the
middle point of the lines. The Line Text option is automatically selected on the basis of the
last changed variable. However, the user can change this selection just before starting the
final calculations with Diagram.
The following Line Te xt options may be used:

- Main Ele me nt
- Te mpe rature : (all numbers rounded to integers)
- Molality and Pre ssure : Only the last three characters of the numbers are used. For
example, “1.00E-03” is shortened to “-03”.
- Data Se t Numbe r
- None : Line labels are not used.
The Source option refers to the element which is used for the Molality and Pre ssure line
labels. It is automatically selected according to the last edited variable. However the user
can change this before pressing Diagram. The line label format dialog can be opened by
pressing Line Te xt Font, see Fig. 8.
The Edit Copy and Paste selections may be used to edit the Molality and Pressure values.
Table shows all the calculation results, which are used to draw the final diagram, see
Chapter 17.7.
Diagram calculates all the selected data sets and shows the combined diagram, see
Chapter 17.6. Exit returns the control to the Diagram Menu form, Fig. 1.
4. Brie f Instructions to cre ate a Combine d Eh-pH-diagram

1. Specify chemical system and press EpH, see Fig. 7.
2. Accept default settings and press Combine , see Fig. 2.
3. Give values for one variable, for example, molality 1.00E+00 for Data Set 1, 1.00E-03
for Data Set 2 and 1.00E-06 for Data Set 3. Press Diagram to calculate the
combined diagram, see Fig. 8 and Fig. 9.
17.6 Combined Eh-pH-Diagrams
The calculation basis and appearance of the combined diagrams is the same as for the
normal Eh-pH-diagrams discussed in previous chapters. The combined diagrams are
reduced to normal diagrams if only one data set is selected, see Fig. 8. However, there are
some differences which will be discussed in this chapter. The combined diagram of the
Fe-S-H 2O example is shown in Fig. 9.
The main element selection of the combined diagrams is made in the four Data Sets options,
Fig. 8. The selected main element can be seen from the heading of the diagram. The first
element in the heading “Fe-S-H2O-system at 25 °C” is always the main element. Table
shows all the calculation results, which are used to draw the final diagram, see Chapter 17.7
for details.
Fig. 9. Combined Eh-pH-diagram for an Fe-S-H2O-system at 25 °C. The Fe molality values 1, 10-3, and
10-6 have been used as parameter.
Fig. 10. Calculation results used to draw the final diagram. This form can be opened by pressing Table on
Diagram form, see Fig. 9.
17.7 Calculation Results of Combined Diagrams
The EpH module automatically carries out all the calculations needed to draw the diagram.
The result workbook may be seen by pressing Table in the Diagram form, see Fig. 9.
Normally you do not need to worry about these sheets at all. You may utilize this
information, for example, to see the exact numerical coordinates of the lines or to identify
some very small and complex stability areas, etc. The modification of this worksheet has no
effect on the diagram.
The result workbook contains six sheets. The first four sheets (DS1, DS2, DS3, DS4) are
for the line coordinates based on data sets 1 to 4. These sheets contain the species names,
area numbers, line coordinates and line properties.
The Labe l sheet contains the label names and label coordinates as well as the area
numbers, which connect the label to the final lines specified in the Line s sheet. This sheet
gives the calculated coordinates of the lines in the final diagram. These two sheets also
show all the format properties used to draw the labels and lines on the diagram. The area
number is calculated using the formula
4
DS = ∑ 2 ( n −1) , [2]
n =1
where n is the data set number.

For example, 6 = 2(2-1) + 2(3-1) means that label is combined from data in sets 2 and 3.
You can print the active sheet (or all sheets) by pressing Print. Exit closes the result
workbook and returns you to the previous form.
17.8 Eh - pH - Diagrams in Practice
The HSC EpH module enables fast and easy creation of Pourbaix diagrams for the required
chemical system in user-specified conditions. These diagrams contain the basic information
of the aqueous system in a compact and illustrative form. These diagrams have found many
applications in corrosion engineering, geochemistry and hydrometallurgy since the
publication of the famous Pourbaix Atlas handbook12.
In hydrometallurgy, the Eh-pH-diagrams may be used, for example, to specify the

conditions for selective leaching or precipitation. In corrosion engineering, they may be used
to analyze the dissolution and passivation behavior of different metals in aqueous
environments. These diagrams may also be used to illustrate the chemical behavior of
different ions in aqueous solutions.
Geochemists use the Pourbaix diagrams quite commonly to study the weathering process
and chemical sedimentation. The weathering process is used to predict what will happen to
a mineral, which is exposed to acid oxidizing conditions at high temperature and pressure.
Pourbaix diagrams can also be used to estimate the conditions, which were needed to form
certain sediments and other minerals17 in the geological past.
Some application examples of EpH module and Pourbaix diagrams are given in Chapter 18,

as well as an example of the EpH file format.
Kai Anttila August 10, 2006 06120-ORC-T
18. Ep – pH - Samples
EpH module: Input File for EpH Module
Eh - pH - Diagram 4.0 ' = Diagram type ' Heading
2 ' Number of Elements
Cu ' Name of a Element
1.0000, 1.0000 ' Molality and pressure of this Element
S
1.0000, 1.0000
2 'Number of temperatures
25.000, 75.000 'Values of Temperatures in °C
N 'Show stability areas of ions (Y/N)
-56.6781, -54.7567 '∆ G values of H2O for all temperatures
1.0000, 1.0000 ' Dielectric Constant
0 ' Ion strenght
-2, 2, 0, 14 ' Limits of the diagram
Cu , 0.0000, 0.0000 ' Nam e of a spe cie s an d ∆ G valu e s for all te m pe rature s
CuH3 , 67.7313, 68.0470
CuO , -30.6627, -29.5533
Cu2O , -35.3446, -34.4294
CuO*CuSO4 , -189.3533, -183.9282
Cu(OH)2 , -85.8077, -82.4437
CuS , -12.7800, -12.7952
Cu2S , -20.6662, -20.8844
CuSO4 , -158.2417, -153.8574
Cu2SO4 , -156.4294, -152.5214
CuSO4*3H2O , -334.5808, -323.1528
CuSO4*5H2O , -449.2635, -433.1954
H2SO4 , -164.8848, -159.9397
H2SO4*3H2O , -345.1000, -334.0907
H2SO4*4H2O , -402.9123, -389.9613
S , 0.0000, 0.0000
S(M) , 0.0190, 0.0068
SO3(B) , -89.4025, -86.2283
SO3(G) , -89.7786, -86.7094
Cu(+2a) , 15.6300, 15.7317
Cu(+a) , 11.9450, 11.0901
Cu(OH)2(a) , -59.5596, -53.6263
CuSO4(a) , -162.3104, -155.5767
Cu2SO3(a) , -92.2243, -87.8581
H2S(a) , -6.5160, -6.1670
HS(-a) , 2.9113, 4.2276
H2SO3(a) , -128.5529, -125.6145
H2SO4(a) , -177.9474, -171.0575
HSO3(-a) , -126.1208, -122.2317
HSO3(-2a) , -121.3430, -116.7342
HSO4(-a) , -180.6580, -175.4083
HSO4(-2a) , -175.2501, -169.3171
HSO5(-a) , -152.3532, -147.0925
S(-2a) , 20.5471, 22.6438
S2(-2a) , 19.0406, 21.0895
S3(-2a) , 17.6446, 19.6504
SO2(a) , -71.8354, -71.1981
SO3(a) , -125.6315, -121.1608
SO3(-2a) , -116.2971, -110.0146
SO4(-2a) , -177.9474, -171.1338
S2O3(-2a) , -123.9775, -118.6055
S2O4(-2a) , -143.5482, -137.2786
S2O5(-2a) , -188.0263, -180.6896
S2O6(-2a) , -231.6077, -223.3179
S2O8(-2a) , -266.4866, -257.3452
S3O6(-2a) , -244.8178, -236.2948

EpH Case 1: Metal Corrosion in Fe-H2O-system
Eh-pH-diagrams may be used to estimate corrosion behavior of different metals in aqueous

solutions. The most common corrosion phenomenon is rust formation on the iron surfaces.
The corrosion rates and types depend on the chemical conditions in the aqueous solution.
The Eh-pH-diagram of an Fe-H2O-system may easily be created as described in Chapter
17. The chemical system specification is shown in Fig.1 and the calculated diagram in Fig.
2.
The stability areas may be divided into three groups13:
1. Corrosion are a: Formation of ions means that metal dissolves into an aqueous
solution. For example, Fe(+3a), Fe(+2a), FeO2(-a) and HFeO2(-a)-ions in an
Fe-H 2O-system.
2. Passive are a: Formation of oxides or some other condensed compounds may create
tight film (impermeable) on the metal surface which passivates the surface, good
examples are Al2O 3 on aluminium or TiO2 on titanium surfaces. If the oxide layer is
not tight enough (porous) to prevent oxygen diffusion into the metal surface, corrosion
may continue. This is the case with the most of the iron oxides but they may also
cause passivation in favourable conditions.
3. Immunity are a: All metals are stable if the electrochemical potential is low enough.
Most noble metals are stable even at zero potential, but at least –0.6 volts are needed
at the cathode for iron to precipitate, see Fig. 2.
The stability areas of water are shown by dotted blue lines in Eh-pH-diagrams, see Fig. 2,
the colors can not be seen in this B&W copy. Usually it is difficult to exceed these limits
due to the formation of oxygen at the upper limit and hydrogen at the lower limit. In some
solutions these limits may be exceeded due the necessary overpotential of hydrogen and
oxygen formation. On the basis of Fig. 2 it seems that hydrogen formation occurs on
cathode before the metallic iron comes stable.
The Eh-pH-diagrams may be used in several ways, for example,
− to find pH, potential and temperature regions which prevent corrosion.
− to find out which compounds are the corrosion reaction products.
− to find immune materials which can be used as protective coating.
− to find out a metal which may corrode instead of the constructive material. For
example, the zinc layer on a steel surface.
Fig. 1. Specification of Fe-H2O-system for EpH-diagram at 25 °C.

Fig. 2. Eh-pH Diagram of Fe-H2O-system at 25 °C. Molality of Fe is 10-6 M.

EpH Case 2: Corrosion Inhibitors in Fe-Cr-H2O-system

Some elements or compounds may prevent corrosion even at very low content in the
chemical system. These substances are called corrosion inhibitors and they can be divided
into anodic and cathodic inhibitors. The anodic inhibitors primarily prevent the anodic
reaction and passivate metals in this way, the latter ones suppress the corrosion rate by
preventing the cathodic reaction or by reducing the cathodic area 13.
Chromate and dichromate ions are well known anodic corrosion inhibitors. Small amounts of
chromates will create a tight complex oxide film on the steel surface which prevents
corrosion. The oxide film is mainly formed of magnetite (Fe 3O 4), hematite (Fe2O3) and
chromic oxide (Cr2O 3).
The inhibitor behavior of chromates may be illustrated with Eh-pH-diagrams. The

Fe-Cr-H2O-system specifications are shown in Fig. 3. The calculation results for Fe-H2O
and Fe-Cr-H 2O-systems are shown in Figs 4 and 5. As shown in the diagrams, a large area
in the corrosion region of iron Fe(+2a), Fig. 4, is covered by the Cr2O 3 and Cr2FeO4
stability areas and thus protected from corrosion, Fig. 5.
It is easy to create Eh-pH-diagrams with the EpH module. However, you should remember
that this type diagram greatly simplifies the real situation. They do not take into account, for
example, the kinetic aspects or non-ideality of real solutions. Small errors in the basic
thermochemical data may also have a visible effect on the location of the stability areas. In
any case, these diagrams give valuable qualitative information of the chemical reactions in
aqueous systems in brief and illustrative form.
Fig. 3. Specification of Fe-H2O-system for EpH-diagram at 100 and 300 °C.

Fig. 4. Fe-H2O-system at 100 °C. Molality: Fe 10-2 M, pressure 1 bar.

Fig. 5. Fe-Cr-H2O-system at 100 °C. Molalities: Fe and Cr 10-2 M, pressure 1 bar.

EpH Case 3: Selection of Leaching Conditions

The first step in a hydrometallurgical process is usually leaching or dissolution of the raw
materials in aqueous solution. The aim is to select the most suitable leaching conditions so
that the valuable metals dissolve and the rest remain in the solid residue. The leaching
conditions may easily be estimated with Eh-pH-diagrams. In favorable leaching conditions
the valuable metals must prevail in solution as aqueous species and the others in solid state.
Roasted zinc calcine is the most common raw material for the hydrometallurgical zinc
process. It contains mainly zinc oxide. An example of Eh-pH-diagrams application in zinc
oxide leaching is shown in Fig. 7, see Fig. 6 for chemical system specifications. It can be
seen from the diagram that acid or caustic conditions are needed to dissolve the ZnO into
solution19.
In acid conditions the pH of the solution must be lowered below a value of 5.5. In practical
processes the pH must be even lower because the relative amount of zinc in the solution
increases if the pH is adjusted farther from the equilibrium line between the ZnO and
Zn(+2a) areas. The dissolution of the ZnO consumes hydrogen ions as can be seen from
reaction (1). Therefore acid must continuously be added to the solution in order to maintain
favorable leaching conditions.
ZnO + 2 H(+a) = Zn(+2a) + H2O [1]
In caustic conditions zinc may be obtained in solution by the formation of the anion complex
ZnO2(-2a). The leaching reaction may be described by equation (2).
ZnO + H 2O = ZnO2(-2a) + 2H(+a) [2]
The leaching conditions change, for example, if sulfur is included in the chemical system.
The effect of sulfur can be seen in Fig. 10. Much smaller pH values are need to dissolve
ZnS which has wide stability area. This will lead to the formation of hydrogen sulfide gas
and ions according to reaction (3).
ZnS + 2H(+a) = Zn(+2a) + H2S(g) [3]
In oxidizing conditions a number of different aqueous species may result from the leaching
reactions such as (4), (5) and (6), see Fig. 6. In these reactions it is important to note that
the consumption of reagents as well as generation of reaction products continuously change
the solution conditions. These conditions must be regulated by feeding more acid and/or
removing reaction products in order to the maintain optimum conditions.
ZnS = Zn(+2a) + S + 2e- [4]
ZnS + 4H2O = Zn(+2a) + HSO4(-a) + 7H(+a) + 8e- [5]
ZnS + 4H2O = Zn(+2a) + SO 4(-2a) + 8H(+a) + 8e- [6]

The HSC database contains a lot of species which may have a long formation time.
Normally it is wise to select only such species which are identified in real solutions
for chemical system specifications. A system specification with only common species
included is shown in Fig. 8 and another one with all the species in Fig. 9. The selected
species may have a visible effect on the diagrams as can be seen by comparing Figs. 10
and 12 as well as Figs. 11 and 13. In some cases, diagrams with all the species selected into
the calculation system may give also valuable information, Figs. 12 and 13.
Fig. 6. Zn-H 2O-system specifications.

Fig. 7. Zn-H 2O-system at 25 °C. Diagram is based on specifications in Fig. 6.

Fig. 8. Zn-S-H2O-system specifications, only identified species included

Fig. 9. Zn-S-H2O-system specifications, all species included.

Fig. 10. Zn-S-H2O-system at 25 °C based on specifications in Fig. 8.

Fig. 11. S-Zn-H2O-system at 25 °C based on specifications in Fig. 8.

Fig. 12. Zn-S-H2O-system at 25 °C based on specifications in Fig. 9.

Fig. 13. S-Zn-H2O-system at 25 °C based on specifications in Fig. 9.

19. H, S, C AND G DIAGRAMS
The diagram module presents the basic thermochemical data for the given species in
graphical format. Eight different diagram types can be drawn as a function of temperature:
- H Enthalpy (total)
- H Enthalpy (latent)
- S Entropy
- Cp Heat Capacity
- G Gibbs Energy
- DH
- DS
- DG (Ellingham diagrams)
The basic steps for drawing a diagram for all types is quite the same, except the small
difference with the DG-diagrams. These steps are described in more detail in following lines,
see example in Fig. 1:
1. Type the spe cie s formulae to the first column of the X-data sheet. There is no need
to open the other sheets, because these are in the programs internal use only.
2. Select the diagram type from Diagram Type list, in this example H Enthalpy (latent)
has been selected, see Fig. 1.
3. DG-diagrams only: Select an element from the list (for example: O for oxides, S for
sulfides, Cl for chlorides, etc.) and press Balance Ele me nt Amount.
4. Press Re ad Data from Database . This will search the data from the database for the
given ranges. You can force the HSC to use its own or main database by setting 1 or 2
to the Database No column. Without this setting, the diagram module looks for the
data first from HSC own database and then from the main database.
5. Press Diagram to draw the diagram. You can also modify all the default settings such
as x- and y-axis ranges and units. However, you must always press Re ad Data from
Database after these modifications before you can press the Diagram.
An example of a diagram is shown in Fig. 2. The solid line s show the values, which are
based on data in the database, and the dotte d line s show the extrapolated values.
Sometimes the extrapolated data may behave irregularly because the Cp-function
extrapolates incorrectly outside the given range. The scales, lines and labels can be edited in
the same manner as in the other graphics routines.
The DG-diagrams (Ellingham) show the relative stability of various oxides, sulfates, chlorides
etc. These diagrams must contain only the same type of substances, such as oxides, sulfides,
chlorides, etc. The species amounts must be balanced to contain exactly the same amount of
the main element, such as oxygen in oxides and sulfur in sulfides.
An example of Ellingham diagram settings is given in Fig. 3. The results in Fig. 4 show, for
example, that iron oxides can be reduced with carbon at higher temperatures than 700 °C, i.e.
FeO + C -> Fe + CO(g). Metals whose oxide DG is smaller at a selected temperature, Fig. 4,
can be used to reduce those oxides where the DG is higher. The most stable oxides (Cr2O3,
MgO) are located at the bottom of the diagram.
Fig. 1. The diagram menu. Enthalpy diagram type selected.

Fig. 2. The Enthalpy (latent) diagram based on the settings in Fig. 1.

Fig. 3. Diagram settings of the Ellingham diagram for oxides.

Fig. 4. Ellingham diagram of oxides based on the settings in Fig. 3.

20. DIAGRAM GRAPHICS

20.1 Graphical Objects
The new Drawing Toolbar can be used to draw basic graphical objects (lines, arrows,
rectangles, ellipses) in HSC diagrams. These shapes may be used, for example, to illustrate
experimental conditions. Versatile formatting options enable the user to edit lines, fill color,
line widths and styles.
Drawing Objects can be created and edited with the mouse or the Object Editor, which
enables very precise editing using numerical values as inputs. Drawing Objects can also be
fixed so that they can be used in all diagrams or saved for later use.
User-specified graphics may be added to diagrams in two ways:
1. Using the Toolbar (Show/Toolbar from the Diagram menu)
2. Using the Object Editor (Show/Obje ct Editor from the Diagram menu)
1. Using the Toolbar
The Toolbar provides a standard drawing interface for drawing simple shapes and for
inserting text. The same functions are also available from a popup menu by clicking the
right mouse button. In Figure 1 the example file “incrope ra_92_494.HTR” in the Heat
Loss module has been used to compare the convection and radiation coefficients, when the
characteristic length (vertical length) varies from 0.2m to 0.8m.
Figure 1: The drawing toolbar, shown here from the HeatLoss module.
The first five buttons are used for drawing lines, arrows, rectangles, ellipses and text. The
next eight buttons are used for modifying the objects, for example the line thickness. These
options are also available from the Options drop-down box. The x- and y-coordinates for
the mouse cursor are shown on the toolbar. In Figure 2 a simple arrow is inserted and
moved around using the mouse. All objects can be moved around the diagram using the
drag-and-drop technique.
Figure 2: Drawing an arrow and moving it around using drag-and-drop technique.
2. Using the Obje ct Editor

Another method of creating and modifying objects is to use the Object Editor
(Show/Obje ct Editor from the menu). The Object Editor consists of three sheets: Lines,
Shapes and Labels. The Lines sheet contains all lines and arrows, the Shapes sheet
contains all rectangles and ellipses and the Labels sheet contains all the labels.
The cells with a blue foreground color, may be changed manually by typing directly in the
cell, for example, the coordinates of a rectangle. The cells with a black foreground color,
may be changed by double-clicking on the cell. The appropriate property window for the
cell will then appear. For example, by double-clicking on the Color column, the color
property window appears. In Figure 3 the color of a rectangle, which demonstrates the
approximate transition region in the diagram, is changed using the object editor.
Figure 3: Using the Object Editor to change the object properties.
A created graphical layout may be useful in future diagrams too, therefore HSC 5.0 allows
the user to save the layout as an object file (.OBE file), which may be imported to any
diagram within HSC 5.0. By selecting File /Save from the object editor menu, all the
current objects in the diagram will be saved in a file for later use, see Figure 4.
Notice that the objects in the HSC Object editor use the same coordinate system as the
diagram, i.e. the same x- and y-scales. Therefore the location of the objects will be changed
on the screen if the x- or y-scale minimum or maximum values are changed. For example,
in MS Excel charts the objects use screen coordinates.
Figure 4: Saving the current diagram objects.
20.2 Formatting the Diagram

Most of the diagram formatting options are available within all HSC diagram routines. The
following paragraphs give a summary of these options:
1. Calculation points will be drawn on the graph if the menu option Show/Marke rs is
checked. If the menu option Show/Line s is unchecked, the connecting lines between
the calculation points will not be drawn. The markers are not drawn by default and the
connecting lines are drawn by default.
2. X- and y-scales may be formatted by double clicking the x- or y-scale numbers or by
selecting X-Axis or Y-Axis from the Format menu. For example, the minimum and
maximum values may be changed, see Figure 5. In some cases it is also advantageous
to change the y-axis to logarithmic scale in order to display the large variations in
amounts or concentrations. Notice that the logarithmic y-axis is not available in all
modules. From the same window you can also change the number format of x- and
y-axis numbers as well as their font size, color, etc.
Figure 5: Changing scales, scale number format and font settings.
3. Gridlines can be edited by selecting Format/Gridline s from the diagram menu and
different settings can be specified for the x- and the y-axis. The gridline properties
include: color, line width, line style and disabled. Depending on the type of printer in
use, different gridline settings may be required in order to produce a desirable printout.
An example of a gridline setting is shown in Figure 6, where three different
temperature profiles are drawn using the example file “Sme lting2.HTR” from the
HeatLoss module.
Figure 6: Editing gridlines.
4. The line width of curves, species label font and other graphical properties may be
changed by either double clicking on the species labels or by selecting the label with
the mouse and choosing Format Labe l from the menu. This function is not possible by
double clicking on the curve. In the label and curve editing window, shown in Figure 7,
the thickness of the curve named “Smelting 1200°C” is changed. Notice that
alternative line styles to solid are available only for line widths smaller than 0.3 mm.
Figure 7: Changing label and line specifications.
5. The Plot Area can be modified by selecting Format/Plot Are a from the menu. The
background and border colors can be changed, as well as the border line style and
thickness. Changing the border line properties may be necessary in order to view a
curve that is on a border line.
Figure 8: Changing plot area specifications.
6. To edit any label and heading on the screen, simply click the text in the label with the
mouse and start to edit.
7. To create new labels, select Labe l from the Inse rt menu. New labels can be deleted
using the Labe l selection in the De le te menu. Default labels cannot be deleted, it is
only possible to remove the text from them.
8. When using HSC Chemistry for the first time it may be necessary to change the
default fonts, because the available fonts vary from one computer to another. This is
achieved by selecting the De fault Font from the Format menu. Usually Times New
Roman, bold, size 11 font is the recommended selection. The selection made will
automatically be saved in the HSC.INI-file in your Windows directory.
9. Once satisfied with the diagram, you can print it by pressing Print BW. If a color
printer is available press Print Col. The print dialog provides several useful options for
a hard copy, see Figure 9.
Figure 9: HSC print dialog for graphics.
10. To view the diagram in a tabular format or use the data of the diagram in other
programs, such as MS Excel, press Table . Press Diagram to return back to the
diagram.
11. To copy the diagram to the Clipboard press Copy, and paste the diagram to other
Windows programs. The Copy command uses the Windows Metafile format, which
enables you to resize the diagram in other Windows applications in full resolution.
12. The Save Ve c. button saves the diagram using the Windows Metafile format (.WMF).
13. The Save Ras. button saves the diagram in raster format. There are a number of
formats available as well as several editing possibilities. See Chapter 20.3 Editing and
Combining Diagrams for a more detailed description.
14. Press Exit to return the main module.
20.3 Editing and Combining Diagrams
Whereas the previous HSC Chemistry 4 was only able to save diagrams using a WMF
format, now more than 30 file formats are available, such as JPG and BMP. HSC diagrams
can now be saved in vector (.WMF Windows Meta File) and raster formats. The image
dialog may be opened by pressing the Save Ras. button or by selecting File /Save as
Raste r File from the diagram menu.
Figure 10: Raster image properties dialog.
It is now also possible to combine diagrams (press Vie w Combine Editor) using the new
HSC Image Combiner, if the same x- and y-scales have been used. Another new feature is
the possibility to edit diagrams (press Vie w Image Editor) using the new HSC Image
Editor.
1. Editing diagrams (HSC Image Editor)

There are a number of functions in the edit mode, for example filtering techniques, rotating,
scaling, tilting, copy/paste etc. Once the changes have been made it is easy to save the
picture in a number of different formats by selecting File /Save from the menu. Any saved
pictures can be used in other programs. Figure 11 shows the editing of a phase stability
diagram created with the Lpp module.
Figure 11: Editing the picture using the HSC Image Editor.
2. Combining diagrams (HSC Combine Editor)

Several diagrams can be combined with the new HSC Image Combiner if the same x- and
y-scales have been used. It is also possible to open the Image Combiner from the Image
Editor by selecting Combine from the Image Editor menu. Figure 12 shows the
combination of two phase stability diagrams created with the Lpp module.
Figure 12: Combining diagrams using the HSC Combine Editor.

21. PHASE STABILITY DIAGRAMS
The phase stability diagrams show stability (predominance) areas of condensed phases in
a ternary system as a function of temperature or in isothermal conditions, with the
remaining constraints as the other axis. These diagrams are very useful when a fast
estimation of the prevailing phases is needed. It is assumed that all phases are pure
substances. Mixture phases are not taken into account in basic phase stability diagrams.
The new HSC Chemistry 6.0 can draw two types of phase stability diagrams. The new
Tpp Diagram module calculates the diagrams on the basis of minimum Gibbs energy
(area graphics) and the old Lpp Diagram module calculates the phase stability boundaries
as lines based on the reaction equations (vector graphics). These two modules have their
own option buttons in the HSC main menu, i.e. Tpp and Lpp Diagram buttons.
The Tpp diagram module draws temperature partial pressure diagrams (T-p-diagrams) as
well as p-p-diagrams with partial pressures on both axes. The old Lpp module draws only
diagrams with selected partial pressures on both axes. These both modules offer slightly
different benefits and limitations; for example, the old Lpp module gives exact coordinates
for the phase boundaries but the new Tpp module gives illustrative painted area diagrams
and also a versatile T-p-axis option.
A common limitation for both the diagram modules is that only three elements can be
selected simultaneously in the calculation system. Another basic feature is that only two
variables can be selected for the diagram, i.e.:
1. If partial pressures are selected for both axes then the temperature must be fixed.
2. If the temperature is selected for the x-axis and partial pressure for the y-axis, then
one partial pressure must be fixed. The partial pressure species may not contain
more elements than the species selected for the y-axis.
The partial pressure pi of gas i in a gas mixture is defined by equation (1):
pi = x i * P [1]
where x i is the mole fraction of i in the mixture and P is the total pressure. The HSC
phase stability diagrams use logarithmic scales for partial pressures, which are expressed
in bar units (1 bar = 100 kPa = 0.987 atm).
21.1 Tpp Diagram Module
Fig. 1. Input data for Tpp phase stability diagrams.
The Tpp Diagram module calculates phase stability diagrams using partial pressures on
both axis or temperature on the x-axis and partial pressure on the y-axis. This module
calculates the diagram on the basis of minimum Gibbs energy. However, it does not check
each x- and y-point in order to decrease calculation time. The calculation is made
recursively using the preset resolution and a specific logout algorithm.
The user interface of the Tpp module is shown in Fig. 1 with an example of a
Cu-S-O-system. The diagram may be drawn using the following steps:
1. Select thre e e le me nts from the element list and press OK.
2. Select the species to diagram one by one or by pressing Se le ct All. Keep the
Ctrl-ke y down if you want to remove some species from the selection.
3. Select the x-axis species and the range for the x-axis. This selection will always
reset the default x-range settings.
4. Select the y-axis species and the range for the y-axis. This selection will always
reset the default y-range settings.
5. Set one variable, either temperature in p-p-diagrams or one partial pressure in

T-p-diagrams. Please also remember to give a value for temperature or a selected
partial pressure. The default value for partial pressure is 1E-20 and for temperature
25 °C. Both °C and K units can be used.
6. Make a selection for the diagram lay-out options if needed:
− Show: Show calculation progress.
− Grid: Show grid on diagram
− Color: Paint areas with colors
− Re solution: Low -> coarse resolution diagram, fast calculations. High ->
high resolution diagram, long calculation time. This setting sets the size of the
smallest calculated detail. Each step into a higher resolution will halve the
size of the smallest visible detail.
7. Press Diagram.
The system specifications can be saved using the File Save TPP selection for later use.
These files can be read back to the Tpp module using File Ope n TPP selection.
The Tpp module uses different colors for each stability area if the Color option is
selected. The user can modify the default color palette with the Format Color Pale tte
selection. This will open the color palette dialog, see Fig. 2. The colors can be modified by
double clicking the colors in the Color column or by typing the corresponding RGB values
to the Color Code column.
This modified palette can be saved for later use by pressing Save Pale tte . The Tpp
automatically loads the palette file, which is named PPTCOL.PAL, but you can also use
other names. These palettes can be reloaded by the File Load Use r Pale tte selection.
Fig. 2. The color palette dialog for the Tpp module.

21.2 Tpp Diagrams
Fig. 3. Tpp phase stability diagrams based on data in Fig. 1.
The Tpp phase stability diagram is shown in Fig. 3, and the corresponding calculation
system specifications are shown on the previous page. In this diagram we can see, for
example, that copper oxide flue dust in a hot process gas tends to sulfatize, when the flue
dust temperature decreases. It is also very easy to see that when the oxygen pressure
decreases, the sulfates are reduced first into oxides and finally into metal form.
These diagrams can be modified in the same way as other HSC diagrams:
1. X- and y-axis scales and formats can be edited by double clicking the axes with the
mouse.
2. The labels and headings can be edited by double clicking the labels.
3. The diagrams can be copied to the Clipboard by pressing Copy.
4. Diagrams can be printed by pressing Print. The printing dialog gives several options
for hard copies. The new resize option is very useful if there are several small
stability areas in the diagram.
21.3 Lpp Diagram Module
Fig. 4. Input data for phase stability diagrams.
The Lpp Diagram module draws isothermal phase stability diagrams of three element
systems, also known as predominance area diagrams or Kellogg-diagrams. An example,
shown in Figs. 4-6, is a diagram of the Ti-Cl-O-system, which shows the stability areas of
titanium containing substances as a function of Cl2(g)- and O 2(g)-pressures in the
atmosphere. Follow these steps to draw the diagram:
1. Select three elements with the mouse and press OK, in this case Ti, Cl and O.
2. Wait a while until HSC displays the substances from the databases. Press All or
select at least three substances (species) for the diagram. Please select only
Ti-containing substances.
3. Select one gas species for the x-axis, for example Cl2(g). You may select any
species for the x-axis except those which contain Ti.
4. Select one gas species for the y-axis, for example O2(g). You may select any
species for the y-axis except those which contain Ti.
5. Change the temperature if needed, in this example 300 C. You may choose
between °C and K by pressing the button.
6. Press File Save and accept the name (TiClO700.IPS) for the input file. The PSD
program draws the diagram on the basis of this file. It may be a good idea to save
all *.IPS-files in a separate \HSC\PSD directory if available.
7. Press PSD and wait a minute to see the diagram. You can return to HSC by
pressing Exit.
8. You can check the name and data of the species by double clicking the list.
PSD diagrams offer an easy way to evaluate stabilities of different condensed substances
as a function of gas pressures, typically O2(g), S2(g), SO2(g), Cl2(g), etc. These diagrams
can be used, for example, to find the best conditions for oxidizing or sulfatizing reactions,
etc.
Limitations:
Note that all se le cte d substance s must contain the main e le me nt, for e xample Ti
in the Ti-Cl-O syste m, but the spe cie s se le cte d for the x- and y-axis should not
contain this main e le me nt (Ti) !!!
If you have more than one substance with the same overall composition (stoichiometry) in
the species list, for example NaS and Na 2S2, FeO and FeO(l), etc., please select only one
such substance for the diagram. In any case HSC will automatically omit substances with
identical stoichiometry. The user can make this selection himself in order to select exactly
those substances which he wants to be taken into account.
21.4 Lpp Diagram Menu
Fig. 5. Changing the default settings of the Phase Stability Diagram.
On the Data sheet of the PSD Menu you can see the calculated data of the PSD diagram
in a tabular form. The Format sheet contains formatting settings of the diagram. It is not
recommended to change these. HSC evaluates the default values automatically for Max
Y, Min Y, Max X and Min X for the axes.
You can calculate and display the diagram in the following way:
1. Select the *.IPS file for the diagram by pressing File Ope n if not already selected.
This file contains the DG values for the selected species at a given temperature.
2. You will automatically get the diagram on the screen.
Change the de fault se ttings of the diagram in the following way:
1. You may change the minimum and maximum values for the x- and y-axis simply by
clicking the value using the mouse and by starting to edit.
2. Press Diagram to display the diagram.
3. Press Print to get a paper copy of the tabular results. HSC will draw the diagram
at the best resolution of any MS Windows - supported printer.
4. Press Copy to paste the data onto other Windows programs.
5. Press Exit to return to HSC or to exit the PSD program.
21.5 Lpp Module Diagram
Fig. 6. Phase Stability Diagram of the Ti - Cl - O - system at 300 ºC.
The phase stability diagram window shows the results of the PSD program in graphical
form. In this diagram it is easy to see the stability areas of different pure substances under
the prevailing conditions.
You can e dit this diagram in the following ways:
1. Press Me nu to change the scales of the axes.
2. When you are satisfied with the scales, you can relocate all the labe ls by mouse
with the drag and drop method. First select the label, keep the left mouse button
down and drag the label to the right location, release the mouse button and the label
will drop into the new location.
3. You can edit the text in the labels by simply clicking the text using the mouse and
typing the new text. You can edit the format of the labels and lines by double-
clicking the label, see Fig. 6.
4. The x- and y-scales can be changed by double clicking the axis numbers.
5. The first time you use HSC Chemistry it may be necessary to change the fonts by

pressing Font, because the fonts available vary from one computer to another.
Usually Times New Roman, bold, size 11 points is a good selection. The selection
will be automatically saved in the HSC.INI-file.
6. When you are satisfied with the diagram you may print it by pressing Print at the
best resolution of your printer.
7. Using Copy you may paste the diagram into other Windows programs using the
Windows Metafile format.
8. Press Me nu to return to HSC or to exit the PSD program.
22. MINERALOGY ITERATIONS

Composition conversions, between substance (mineralogy) and elemental analyzes, are
often needed in chemical R&D work. The Mineralogy module easily converts
minera-logical compositions into elemental ones, but is not always able to mak e
reverse conversion. Conversion can be made using the following procedure, see Fig. 1:
1. Type the species formulae into column A, use rows > 4. The species do not need to
exist in the HSC database. However, you must use the HSC formula syntax.
2. Type the compositions in column D.
3. The elemental composition can be seen on row 4.
You can also give the total amount for the material in cell C4 as well as name in cell A1.
Note that the user may edit only the cells with red fonts if Format Re d Font Shie ld has
been selected.
The conversion of the elemental composition of a substance into a mineralogical one is a
more difficult task, for example due to small analytical errors. This module offers three
tools for converting elemental analyzes into mineralogical ones.
1. Solve Me thod
The Solve method uses matrix-algebra to solve the mineralogy. It is useful if the given
amounts of elements fit exactly to the given substances. The number of unknown
compositions must also be the same as or less than the number of element balance
columns.
An example of the Solve method is shown in Fig. 2 (file Example1.mnr). You can create
this example from the previous one with the following procedure:
1. Press Copy Row 4 to 3 button to copy elemental compositions from row 4 to 3.
2. Type 1 to cells D5-D8, in order to wipe out the original compositions.
3. Press Solve . The results will be shown in column D. Usually the elements do not fit
exactly to the given species, in these cases the Solve method may add some
element rows to the system. These rows can be deleted by De le te Row selection.
2. Automatic Ite rative Me thod
The Automatic iterative method fits the given elements to the given substances by
changing the species contents in order to reach the given element compositions. To carry
out this conversion follow these steps, see Fig. 4:
1. Type species formulae to column A, use rows > 4.
2. Type elemental analyze to row 3, use columns > D.
3. Type the target elements, which will be used to iterate the species, into column B.
Please do not use the same element for several species, otherwise manual iteration
may be needed.
4. Press Ite rate All to start iterations. Sometimes it is necessary to press this button
several times in order to reach sufficient accuracy.
3. Manual Ite rative Me thod
Sometimes the given elemental analysis does not fit with the given elements. In this case
the user may search the approximate composition manually by changing the contents in
column D, in order to reach a satisfactory match with the elemental analyzes in rows 3

and 4. Ite rate Se l can be used to iterate individual rows.
Fig. 1. Calculation of the elemental composition of a material mixture. The user has given the species
names in column A and the contents in column D. The calculated result is shown on row 4.
Fig. 2. Calculation of the species composition in column D using the elemental composition in row 3 by
Solve .
Fig. 3. Calculation of the elemental composition of a sulfide material. The user has given the species
names in column A and the contents in column D. The result is on row 4.
Fig. 4. Iteration of species compositions in column D on the basis of the elemental compositions in row 3
with Ite rate All. The target elements in column B must be specified by the user.

Se t Last Row
Pressing Se t Last Row will set the last row which is used in the calculations. All
compositions below this row are kept constant. This property can be used, for example, if
the contents of some species, such as SiO2, Al2O 3, etc., are available.
Calculate Mixture Composition

The user can insert new sheets into the mineralogy workbook with the Inse rt She e t
selection. This will create an identical sheet on the right side of the selected sheet. The
new sheet can be cleared with the Edit Cle ar All selection. These identical sheets may
also be used for mixture calculations.
Quite often the feed of a chemical process consists of several raw materials. The
compositions of these materials are fixed, but the ratios change from time to time. The
total composition of the mixture may be calculated with the Mineralogy module and by
following these steps, see Fig. 5 (file name of this example is Example 3.mnr):
1. Start from Example 2, shown in Fig. 4 and Select Inse rt She e t.
2. Double click the sheet 1 tab and rename the sheet as Raw1. Rename sheet 2 in the
same way as Raw2, you can also use real names for the materials.
3. Type or solve the compositions for each individual sheet as described before in this
chapter. Do not add or remove species from the list, the species list must be
identical in each sheet. Give the amounts for each material in the C4 cells.
4. Select Calculate Mixture Composition. This will add a mixture sheet and
calculate the mixture composition for all the raw materials and give the total amount
of the feed in cell C4.
Fig. 5. Calculation of the mixture composition of three raw materials.


Copy Row 4 to 3
This button will copy all the elemental composition values from row 4 to row 3.
Numbe r of Ite rations
The default number of iterations is 10, but it can be changed in the cell left of the Ite rate
All button. The program carries out a maximum of 10 iterations each time Ite rate All is
pressed. You can decrease the number of necessary iterations by giving some preliminary
guess values into column D. In some cases preliminary guess values are needed to
help the iteration routine to find the correct answer.
Othe r Prope rtie s
The same type of formatting properties as in other HSC modules are available, such as
Format Numbe r, Inse rt Row, Edit Copy, etc.
The user can also save the workbook for later use by selecting File Save and read it back
with the File Ope n selection. It is recommended to save the files quite often with
different names such as Feed1, Feed2, etc. in order to recover the original settings in case
of mistakes. The files can also be saved and opened using Excel 5 format.
23. COMPOSITION CONVERSIONS
The Composition Conversion module is a simplified version of the Mineralogy iteration

module. It is included in HSC Chemistry because the Composition Conversion module
easily gives the compositions and amounts of the species in wt-% and kg units.
The user may type the names of the species into the first column and the compositions
into the second column. You can use also other species than those in the HSC database,
however, you must use HSC formula syntax. The module automatically calculates the
elemental compositions of the species and the total composition of the mixture by pressing
Conve rt to Ele me nts. The reverse conversion is made by pressing Conve rt to
Spe cie s.
The Composition Conversion is made using the same program routines, which are used in
the Mineralogy routine. Therefore the limitations are also the same.
An example is shown in Fig. 1. The same results can be obtained with the Mineralogy
module, see Fig.1. in Chapter 22. Mineralogy Iterations.
Fig. 1. Composition conversions.


24. ELEMENTS MODULE
The basic chemical and physical properties of the elements have a decisive effect on the
thermochemical properties of compounds. For example, the electronegativity values of the
elements have a strong effect on the chemical bonds between the elements in all chemical
compounds. Therefore the periodic system of elements sets the base for thermochemistry.
The Elements module offers an element database in spreadsheet format with some 56
different properties of the elements. The user may easily add his own data to this table in
the same way as in MS Excel applications. This data may be saved for later use by the
File Save selection. The default name of the workbook is Element4.ele.
Diagram enables the user to draw illustrative diagrams on the basis of the selected
property row. Density row 7 has been selected in the example of Fig. 1 and the diagram,
shown in Fig. 2, may be drawn by pressing Diagram.
The diagram shows at a glance the greatest and smallest values in the periodic system.
The exact number values behind the spheres may be shown by double clicking the element
square or label in the diagram. The diameter of the sphere shows the magnitude of the
value compared to the maximum value. The maximum value creates a sphere, which fits
exactly to the element box in Fig. 2.
The Fix Le ft 2 Columns selection, Fig. 1, fixes the two left columns. This makes it
possible to see the property headings and units for all the elements, when scrolling the
element sheet.
The normal copy and paste properties as well as format and printing functions are
available as in other HSC modules. The workbook form may be resized by dragging the
form boundaries using the mouse or from the icons at the top right corner of the form.
Fig. 1. The Elements module contains several basic properties of the elements. The selected property may
be illustrated in graphical format by pressing Diagram.
Fig. 2. The properties of the elements may be illustrated in graphical format. The values of the properties
may be shown by double clicking the element.
25. WATER
Figure 1: Pressure-Temperature calculator for water.
The Pressure and Temperature calculator enables a complete thermodynamic description

for a species, by allowing the user to specify not only the temperature, but also the pressure
(partial). This calculator is currently only available for water, since the properties of steam
in particular, deviate significantly from those of the ideal gas, i.e. the heat capacity is purely
a temperature-dependent function. In letting the user specify water/steam pressure, cases
where pressure is of extreme importance can easily be calculated.
This calculator is a very useful replacement for ste am table books and Mollie r
diagrams. By directly typing the pressure and temperature of the process points, or by
simply clicking on the diagram, the process enthalpy and entropy are calculated along with
several other useful thermodynamic data. The module is also available through the Heat and
Material Balances module (Chapter 11. Heat and Material Balance), where the pressure
correction may be inserted into the worksheet as a cell formula.

The calculator lets the user specify two process points; point 1 being the starting point and
point 2 the end point. The calculator then calculates the absolute values for the two points
and then the difference between them. The absolute values are mostly useful for density
and heat capacity data, whereas the difference or delta values are useful for enthalpy and
entropy data. A line between the two points may be drawn by selecting Show/Line from
the menu. However, this line does not necessarily represent the actual process path,
instead it makes the visualization of the two points easier. There are two basic ways, which
may also be combined, of specifying the process points:
Spe cifying points using the mouse :
1. Specify the appropriate units from the comboboxes and the amount (kmol or kg) in the
textbox.
2. Activate one of the points by clicking on the appropriate box in the diagram. A yellow
box indicates the active point and a white box the inactive point.
3. Click on a position in the diagram and the selected point will move to that position and the
data will automatically be recalculated. Note that if a saturated state is selected, the
point will jump to the appropriate saturated curve if possible. It is also possible to use the
drag-and-drop technique to move the selected point.
4. Repeat steps 2 and 3 for the other point.
5. If a point is on a saturated curve, the user may specify the Mixture %, i.e. the
percentage of the first of the two phases in the mixture shown in the combobox on row
3 of the worksheet. The default value is 50 %.
Spe cifying points manually:
1. Specify the appropriate units from the comboboxes and the amount (kmol or kg) in the
textbox.
2. Specify pressures and temperatures for the two points by simply typing them into the
cells on columns 1 and 2. Note that if a saturated state is selected, the temperature or
pressure will automatically be calculated. The values that are automatically calculated
are indicated in a black font.
3. If a point is on a saturated curve, the user has to specify the Mixture %, i.e. the
percentage of the first of the two phases in the mixture given in the combobox on row 3.
The default value is 50 %.
4. If a point is on a saturated curve, the user may specify the Mixture %, i.e. the
percentage of the first of the two phases in the mixture shown in the combobox on row
3 of the worksheet. The default value is 50 %.
Explanation of the p,T-diagram:
The p,T-diagram to the right of the window contains a few labels. These are explained in
the following points:
1. Triple Point
The triple point refers to the point where all three phases of water may exist
simultaneously. This point is at T = 0.01 °C and p = 0.0061 bar. Most steam tables use
this as the reference point, i.e. the absolute enthalpy and absolute entropy are set to

zero. By selecting Edit/Point 2 = Triple Point from the menu, the second process point
will automatically be set to the triple point, which is also the default setting. This means
that the enthalpy and entropy differences will have the same values as those found in
most steam tables if the phase is set to liquid at the triple point.
2. Critical Point
When the temperature rises above the critical point, it is no longer possible to clearly
distinguish between the liquid and the gaseous phase. Such a condition is referred to as
supercritical. The critical point for water is at T = 373.946 °C and p = 220.64 bar. It is
important to know that above this point the program still specifies the phase of the point,
although there are no longer any actual phase transitions between the phases.
3. Saturate d Curve s
There are three saturated curves in the diagram. These are gas/liquid, gas/solid and
liquid/solid. A point located on any one of these curves indicates that the two phases
are in equilibrium. The three curves join at the triple point, which is where all three
phases can exist simultaneously. The user may force a point onto the saturated curve by
selecting either Sat. (g,l), Sat. (g,s) or Sat. (l,s) from one of the phase comboboxes on
row 3.
4. Solid Ice
A stability area consisting of several solid ice phases, with different crystal structures, of
which some are shown on the diagram. Data is not, however, available for
the high pressure solid phases.
Calculation workshe e t:
The calculation worksheet is to the left of the window. The first four rows are input rows
and the last six rows show the results. The input rows are explained in the following points:
1. Te mpe rature
The temperature unit may be either in °C or in K, depending on the temperature unit
combobox. The temperature is automatically calculatad when the Sat. (l,s) state is
selected.
2. Pre ssure
The pressure unit may be either in bar or in MPa, depending on the pressure unit
combobox. The pressure is automatically calculatad when the Sat. (g,l) or the Sat. (g,s)
state is selected.
3. Phase
There are three different pure phases available for water: Solid (s), Liquid (l) and Gas
(g). These three phases may be combined on the saturated curves and they are
specified as: Sat. (g,l), Sat. (g,s) and Sat. (l,s). At the triple point a mixture of all of
these is possible, however, only a mixture of two is possible in this module. When a pure
phase is selected, the actual phase is automatically selected according to the user input
(manually or with the mouse). When a saturated state is selected, the temperature or
pressure is automatically calculated, which is then indicated in a black font. For the
gas/liquid and gas/solid mixtures the pressure is automatically calculated and for the
liquid/solid mixture the temperature is automatically calculated. Note that when moving
outside the limits of the saturation curve, the phase will automatically change into the
corresponding pure phase of the specified point.
4. Mixture %

It is possible here to enter the mixture percentage of the saturated state. This is the
same as the dryness percentage of steam when the point is on the saturated gas/liquid
curve. The percentage always refers to the amount of the first phase in the total
mixture, e.g. the gas percentage in a gas/liquid mixture. This is set to 50 % by default
and only visible when a saturated state is specified.
The results of the calculation are shown in the same table below the input. The data
calculated includes:
1. Enthalpy (H) and Entropy (S)
The enthalpies and entropies for the two process points are calculated using the
reference point T = 25 °C and p = 1 bar. This differs from what is normally found in
steam tables, where the reference point is T = 0.01 °C and p = 0.0061 bar (triple point
for water). This means that only the differences in enthalpy and entropy are of
importance, since they are independent of the choice of reference points. Point 2 is
therefore by default set to the triple point, which means that the enthalpy and entropy
differences, indicated by a yellow background, give the values normally found in steam
tables.
2. Spe cific Enthalpy (H spe cific)
The specific enthalpies are the enthalpies when the phase transformations are ignored.
In other words the enthalpy released/gained when water is cooled/heated to 25 °C at
constant pressure. Therefore the specific enthalpy is zero at 25 °C.
3. Gibbs Ene rgy (G)
These cells show the Gibbs Energy for the two points.
4. He at Capacity (Cp)
These cells show the specific heat capacity at constant pressure for the two points.
5. De nsity
These cells give the densities for the two points. The densities are interpolated or
extrapolated from the Excel file H2O.XLS located in the .\HSC5\PTCalc directory.
Please do not modify this file.
Othe r important te rms:
1. Ise ntropic proce ss
If the entropy is constant through a process, i.e. the entropy difference is zero, the
process is called isentropic. An isentropic process is an ideal process and real
processes are often compared to the corresponding isentropic process.
2. Ise ntropic e fficie ncy
An isentropic process generates no entropy and may therefore be considered an ideal
process. It is useful to compare real processes to that of the isentropic through the
isentropic efficiency. The isentropic efficiency for a compressor or pump is defined as
∆hs
η s ,c = , [1]
∆h
where ∆h is the real enthalpy difference and ∆hs is the isentropic enthalpy
difference. The isentropic efficiency for a turbine is defined as
∆h
η s ,t = . [2]
∆hs
An isentropic process is always adiabatic, however, an adiabatic process is not

necessarily isentropic.
25.2 Calculation examples
25.2.1 Ice me lting at high pre ssure
Figure 2: Melting of ice at a pressure of 500 bar.
The example in Figure 2 shows the enthalpy and entropy change of 1 kg solid ice melting at
a constant pressure of 500 bar, until 90 % of the total mixture is liquid water. The enthalpy
difference is ~290 kJ and the process therefore endothermic. The entropy difference is
~1.079 kJ/°C and the process therefore generates entropy. The melting point of ice at 500
bar is automatically calculated, since the point is on the saturated liquid/solid curve, and it is
roughly –4.5 °C. This pressure is achieved, for example, when pressing a sharp object
against an icy surface, which then melts due to the decreased melting point temperature.


25.2.2 Evaporation proce ss in a he at re cove ry boile r
Figure 3: Evaporation process.
The example in Figure 3 shows the evaporation process in a heat recovery boiler, when the
mass flow is 500 t/h (Amount: 500000 kg, Unit: MWh). The temperature is 285 °C and the
pressures are automatically calculated, since the saturated gas/liquid state is selected. The
transferred heat is ~21 MW, when 10 % of the total water flow evaporates. This is
equivalent to a water/steam ratio of 90%/10% = 9. The entropy generation of ~0.038
MW/°C indicates that the process is not isentropic.
25.2.3 Ste am turbine proce ss
Figure 4: Steam turbine process.
A simple steam turbine process is shown in Figure 4. The calculation shows that the net
enthalpy for a mass flow of 10 kg/s is –10633 kW and thus exothermic, i.e. the enthalpy is
released in the form of work on the shaft. The entropy generation is 7.5 kW/°C and the
process is therefore not isentropic. By decreasing the Mixture % (in this case ~81.7 %) the
process may be compared with the ideal isentropic process for which there is no entropy
generation. The enthalpy released in the isentropic process is –12903 kW and the isentropic
efficiency is therefore, according to equation 2, ηs,t = -10633 kW / -12903 kW z 0.82.
25.3 Detailed Description
25.3.1 Pre ssure corre ction in the database
The pressure-corrected calculations are based on new pressure-specific species in the

database. They are of the form S(XbarP), where S denotes the species, X the pressure
(partial) in bars and P the phase. The phase is only specified for gaseous species. The only
currently available species is H2O (water), and the pressure-corrected species are found in
the database as H2O(0.01bar), H2O(0.01barg), H2O(100bar), H2O(100barg), etc. Note
that if the phase is not specified, it may be either solid or liquid depending on the
temperature. For supercritical steam, that is for T 373.946 °C, a gaseous phase is used
for p < 220.64 bar and a liquid phase for p 220.64 bar, although the two phases are
impossible to separate in reality.
Table 1 shows the pressure-corrected water species currently found in the HSC database.
Pressure [bar] Solid/liquid species (ice/water) Gaseous species (steam)

0.01 H2O(0.01bar) H2O(0.01 barg)
0.05 H2O(0.05bar) H2O(0.05 barg)
0.1 H2O(0.1bar) H2O(0.1 barg)
0.5 H2O(0.5bar) H2O(0.5 barg)
1 H2O(1bar) H2O(1 barg)
20 H2O(20bar) H2O(20barg)
100 H2O(100bar) H2O(100barg)
200 H2O(200bar) H2O(200barg)
300 * H2O(300bar) *
400 * H2O(400bar) *
500 * H2O(500bar) *
600 * H2O(600bar) *
700 * H2O(700bar) *
800 * H2O(800bar) *
900 * H2O(900bar) *
1000 * H2O(1000bar) *
* Supercritical pressures
Table 1: Pressure-corrected species currently available in the database.
Since water is in a liquid form at the reference temperature of 25 °C for pressures higher
than 0.032 bar, the Cp functions for steam follow the saturated steam curve below the
boiling point. This means that the pressure is not k ept constant below this point and thus
the pressure value in the species name, i.e. X in H2O(Xbarg), is no longer valid for these

temperatures. This may be seen from Figure 5, where the Cp functions of steam at
different pressures are shown. When the temperature drops below the boiling point the Cp
functions follow the saturation curve, where the partial pressure also reduces with the
temperature. This also means that the total enthalpy and entropy curves below the boiling
point will not join as expected and therefore these curves are comparable with each other
only for values above or equal to the boiling point. This is, however, not an issue when
studying only one pressure-corrected species at a time since the enthalpy/entropy
differences are then still valid. Naturally this is never a problem in the Pressure and
Temperature calculator, since it automatically chooses the liquid phase when the
temperature drops below the boiling point for a constant pressure.
For the solid/liquid phases, i.e. H2O(Xbar), this reference point does not cause any
problems, since at least one of the two phases (liquid and/or solid) exist below 25 °C and at
pressure X. They can therefore easily be extrapolated up to 25 °C when necessary.
Extrapolation above the boiling/sublimation points at different pressures are shown as dotted
curves in diagrams, which also means that the liquid/solid phase does not exist at these
temperatures.
Figure 5 also shows that the ideal gas approximation, indicated by the label H2O(g), is
generally more accurate for low pressures and high temperatures. The ideal gas curve can
be seen below the constant pressure curves. The rule of thumb is that the accuracy of the
ideal gas approximation increases the further away you move from the critical point.
Figure 5: Cp functions for steam at different pressures.


25.3.2 Basic the ory
In order to calculate the enthalpy and entropy at different pressures, slight modifications
have to be made to the enthalpy of formation and standard entropy at 25 °C, i.e. the Hf
-term of equations 1 and 3 in Chapter 8. Introduction. Most steam tables use the triple
point of water (T = 0.01 °C, p = 0.0061 bar), instead of the standard reference point used
in HSC (T = 25 °C, p = 1 bar), therefore the absolute enthalpies and entropies will be
different from those found in steam tables. However, since point 2 is by default set to the
triple point, the enthalpy and entropy differences (cells C5 and C6) are the same as the
absolute values found in steam tables and diagrams. This is achieved by selecting
Edit/Point 2 = Triple Point from the menu and choosing the liquid phase.
The pressure corrected enthalpy at temperature T and pressure p is calculated as
T
H ( T , p ) = H ( 298.15K , p ) + ∫ Cp(T , p )dT + ∑ H
'
f tr , [3]
298.15 K
where H’f (298.15K, p) is the modified enthalpy of formation at pressure p and Htr is the
enthalpy of a phase transformation. The entropy at pressure p may be calculated in a
similar manner as
Cp(T , p )
T
H
S ( T , p ) = S 0' ( 298.15K , p ) + ∫ dT + ∑ tr , [4]
298.15 K
T Ttr
where S’0 (298.15K, p) is the modified standard entropy at pressure p and Htr is the
enthalpy of a phase transformation at temperature Ttr.
The Cp function still utilizes the Kelley equation, but the coefficients are now
pressure-dependent according to
Cp (T , p ) = A( p ) + B( p ) ⋅ 10 −3 + C ( p ) ⋅ 10 5 ⋅ T −2 + D( p ) ⋅ 10 −6 ⋅ T 2 , [5]
where A(p), B(p), C(p) and D(p) are the coefficients fitted at different pressures p. See
Table 1 for a list of the current pressures available.
The temperature or pressure of a saturated curve is calculated through either one of the
equations 6-8. The pressure for a saturated gas/liquid mixture is
p( T ) = 0.1 ⋅ exp(11.78(T − 372.79) / (T − 43.15)) , [6]
where T is the temperature in K and p the pressure in MPa. The pressure for a saturated
gas/solid mixture is
p( T ) = 1010.5380997 - 2663.91 / (T + 0.01) / 10000 , [7]


where T is the temperature in K and p the pressure in MPa. The temperature for a
saturated liquid/solid mixture is
T ( p ) = −0.009 p + 273.16 , [8]
where T is the temperature in K and p the pressure in MPa. These equations correspond to
the saturated curves in the p,T-diagram and are utilized in the module whenever a saturated
state is selected.
In order to calculate the influence of pressure on the enthalpy and entropy below the
freezing point, a pressure correction term is used. The correction term is
∆hT =const = (1 − T f α v ,ice )ν ice ( p f − p 0 ), [9]
where Tf is the temperature at the freezing point, pf is the pressure at the freezing point,
α v ,ice is the coefficient of thermal expansion and ν ice is the specific volume.
25.4 Limitations
− The current pressure range is –200 °C to 2000 °C and 0.001 bar to 1000 bar.
− Accuracy in cp-values and density values decreases close to the critical point.
− Accuracy in saturated liquid/gas pressure decreases close to the critical point.
− Uncertainties in cp-values for ice at different pressures.
− The high temperature and pressure region (800 °C - 2000 °C and 100 bar - 1000 bar) is
extrapolated.
− The low pressure region (0.001 bar - 0.01 bar) is extrapolated.
26. UNITS MODULE
Traditionally, several types of energy, temperature, mass and volume units have been used
in thermochemical calculations. Therefore, some inconvenient conversions are needed to
compare the results from different sources. The new Units Conversion module is an easy
tool for fast unit conversions in thermochemistry as well as in other engineering fields. The
specifications of this module can be summarized as follows.
1. Some 90 different quantities and 444 units are available. The user can easily add
own units and coefficients into the conversion calculator database.
2. The Units Module also offers data sheets for chemical constants, particle mesh
sizes, air humidity and water pressure tables. These tables can be modified by the
user according to personal requirements.
Units Conve rsions (Conve rt She e t)
Fig. 1. Units Conversion module.

The user interface of the Units module is shown in Fig. 1. All the data is given in the
workbook, which consists of six sheets. The first Convert sheet works as a simple units
conversion calculator, which is used in the following manner:
1. Select the quantity you are interested in, for example, Ene rgy.
2. Select the unit and prefix to be used in columns 1 and 2.
3. Select the unit and prefix to be used in columns 3 and 4.
4. Type the values into column 1 or 3. This will automatically show the converted value
using the selected units. You can change the quantities, units and prefixes whenever
you want, as seen in Fig. 1.
Units Database (Units She e t)
Fig. 2. Database sheet for unit coefficients.

The unit calculator on the Convert sheet reads all the quantities and unit coefficients from
the Units sheet, see Fig. 2. Three rows are reserved for one quantity, and up to 255 units
in the columns can be used for one quantity. The name of the quantity is given in the first
column, the quantity first row gives the name of the unit, the second one the abbreviation
and the third one the conversion coefficient.
The user may easily add own quantities and units to this sheet. However, remember to
save the worksheet if you want to use this new data later on.
Othe r She e ts
The Units workbook also contains other sheets:
1. Constants she e t: Chemical and physical constants.
2. Me sh she e t: Particle sizes in mesh and mm units.
3. Air she e t: Air composition and humidity tables.
4. H2O she e t: Water vapor pressure tables.

The user may also modify these sheets as well as add new sheets. The workbook must be
saved with the File Save selection in order to use the new data later on.
Nearly all the same format, edit and printing properties, as well as resizing of the form, are
available in the Units module.
27. Excel Add-In Functions
27.1 Getting started
With HSC 6.0 Add-In Functions it is possible to use the HSC 6.0 database directly under
MS Excel 2000 and in that way carry out several thermochemical calculations. In order to
use these functions in Excel they must, however, first be activated. Three stages may be
needed to activate HSC functions in Excel. The number of stages needed depends on the
computer settings and Windows and Excel versions.
Activation Stage 1:
1. Open Excel 2000 (NOTE: HSC Add-Ins may not work under earlier Excel versions!)
2. Select “Tools, Add-Ins...” from the menu.
3. Select “Browse …” and locate HSC6.XLL from your HSC6\AddIns folder.
4. Select “HSC 6.0 Functions” and press “OK”, see Figure 1. It may be necessary
to restart Excel in order for the add-in functions to work.
Figure 1: Adding/removing HSC 6.0 Functions under Excel Please do NOT select
old HSC 5.1 Functions!.
Activation Stage 2 (Optional):

If the installation is unsuccessful, the following steps may help:
1. Start the VBA Editor by pressing Alt+F11.
(or select Tools, Macro, Visual Basic Editor, ...)
2. Select “Tools, Re fe re nce s” from the menu.
3. Select “Browse …” and locate HSC6.XLL from your HSC directory (for example
C:\HSC6\HSC6.XLL). It may be necessary to restart Excel in order for the add-in
functions to work. HSC Add-In functions locate in HSC6.DLL, however, Excel calls
these functions through HSC6.XLL interface.
4. See also stage 3 in Chapter 27.2 if needed.
The HSC installation routine automatically takes care of the HSC6.DLL registration.
Activation Stage 3 (Optional):

1. During opening, answer No when prompted by Excel to update all linked information
(automatic link updates do not work due to some bug in MS Excel).
2. Select “Edit, Links” from the menu.
3. Choose the path containing HSC6.XLL from the listbox and press “Change
Source ”.
4. Browse to your HSC6\AddIns folder and choose HSC6.XLL.
27.2 Updating XLS-Files which use old HSC 5.1 Add-In Functions
Figure 2: Update XLS Files.xls macro may be used to update old Excel files with
HSC 5.1 Add-In functions to HSC 6.0 Add-Ins.
You must update old Excel files with HSC 5.1 Add-In functions. If you find following
type formulas from your Excel spreadsheet then you must update:
='C:\HSC5\AddIns_BackUp\HSC5.xla'!H(D11;E11)
HSC 5.1 use old HSC5.XLA interface, HSC 6.0 Add-Ins use better HSC6.XLL interface

which makes the use of these files much more easier because the path to the HSC6.XLL
files is not saved into the XLS-file cells!
27.3 Brief Description of the Functions

The " AddInSample.xls" sample file offers the fastest way to start using HSC 6 Add-In
functions, you may found it from HSC 6 folder, such as:
C:\HSC6\AddIns\AddInSample.xls
The add-in functions are used the same way as functions in general under MS Excel. For
example by writing “=H(A1;A2)” the enthalpy for the species in cell A1 and at the
temperature in cell A2, is returned. To view all existing functions simply select “Inse rt,
Function” from the main menu and then choose “Use r De fine d” from the left listbox.
The right listbox will now give show all available HSC functions and their arguments. A
complete description of the functions is given in the following tables 1 and 2.
A useful Excel example file is located in the catalogue “\AddIns” in your HSC installation
directory. The example, called “AddInSample.xls”, can be viewed after the add-ins have
been made available (described in Chapter 27.1). Figure 3 shows what the example file
should look like using MS Excel 2000.
The functions are all collected in the column “Function” and their return values under
“Return value”. A red font indicates the input values with a short description of every
function shown to the right. This example provides an easy method for testing the
functions and also provides practice in learning how to use them.
HSC Add-In Functions - Species Based

Functions Descriptions (Return values)
General Description (Return value):
UNITS(T;E) Changes the temperature and energy units
BAL(Equation) Balanced reaction equation
SPECIES(DBNo,Position) Species formula in given database and record number
Species Description (Return value):
H(Species;T) Enthalpy (per kmol) of species at given temperature
HKG(Species;T) Enthalpy (per kg) of species at given temperature
HNM3 or HCM(Species;T) Enthalpy (per Nm³) of species at given temperature
HLAT(Species;T) Enthalpy excluding phase transformations (per mol) of species at given
temperature
S(Species;T) Entropy (per Mmol) of species at given temperature
CP(Species;T) Heat capacity (per Mmol) of species at given temperature
G(Species;T) Gibbs energy (per kmol) of species at given temperature
Reaction equation Description (Return value):
H(Equation;T) Enthalpy difference (per kmol) of reaction equation at given temperature.
HKG(Equation;T) Enthalpy difference (per kg) of reaction equation at given temperature
S(Equation;T) Entropy difference (per Mmol) of reaction equation at given temperature
CP(Equation;T) Heat capacity difference (per Mmol) of reaction equation at given temperature
G(Equation;T) Gibbs energy difference (per kmol) of reaction equation at given temperature
K(Equation;T) Equilibrium constant of reaction equation at given temperature
Iteration (reverse) Description (Return value):
TATH(Species;H) Temperature of species at given enthalpy (per kmol)
TATHKG(Species;H) Temperature of species at given enthalpy (per kg)
TATHNM3 or TATHCM(Species;H) Temperature of species at given enthalpy (per Nm3)
TATHLAT(Species;H) Temperature of species (per kmol) at given enthalpy excluding phase
transformations
TATS(Species;S) Temperature of species at given entropy (per Mmol).
TATCP(Species;CP) Temperature of species at given heat capacity (per Mmol)
TATG(Species;G) Temperature of species at given Gibbs energy (per kmol)
Temp. independent Description (Return value):
STRUCT(Species) Structural formula of given species
CHNAME(Species) Chemical name of given species
CONAME(Species) Common name of given species
CAN(Species) Chemical abstract number of given species
MW(Species) Molecular weight of given species [kg/kmol]
DE(Species) Density of given species [kg/l]
MP(Species) Melting point of given species
BP(Species) Boiling point of given species
PHASE(Species) Phase type of given species
RGBCOLOR(Species) RGB color code of given species
REF(Species) Reference of given species
REL(Species) Reliability class of given species
Percentage Description (Return value):
MOLP(Species1;Species2) Species 1 content in Species 2 in mol-%
WTP(Species1;Species2) Species 1 content in Species 2 in wt-%
CP-function related Description (Return value):
CPFUNCTION(Species) Heat capacity (Cp) polynomial function of given species
CPA(Species) A coefficient in Cp-function of given species
CPB(Species) B coefficient in Cp-function of given species
CPC(Species) C coefficient in Cp-function of given species
CPD(Species) D coefficient in Cp-function of given species
TMIN(Species) Lower limit of Cp-function temperature range
TMAX(Species) Upper limit of Cp-function temperature range
Table 1: Description of all currently available HSC Species based add-in functions.
HSC Add-In Functions - Stream Based

Functions Descriptions (Return values)
Stream/Flow Description (Return value):
STREAMH(Species;Amount;T) Enthalpy of the specified stream/flow (species in kmol) at given temperature
FLOWH(Species;Amount;T)
STREAMHKG(Species;Amount;T) Enthalpy of the specified stream/flow (species in kg) at given temperature

FLOWHKG(Species;Amount;T)
STREAMHNM3(Species;Amount;T) Enthalpy of the specified stream/flow (species in Nm3) at given temperature

FLOWHNM3(Species;Amount;T)
STREAMHLAT(Species;Amount;T) Enthalpy excluding phase transformations of the specified stream/flow (species

in kmol) at given temperature
FLOWHLAT(Species;Amount;T)
STREAMS(Species;Amount;T) Entropy of specified stream/flow (species in Mmol) at given temperature

FLOWS(Species;Amount;T)
STREAMCP(Species;Amount;T) Heat capacity of specified stream/flow (species in Mmol) at given temperature

FLOWCP(Species;Amount;T)
STREAMG(Species;Amount;T) Gibbs energy of specified stream/flow (species in kmol) at given temperature

FLOWG(Species;Amount;T)
DensityA(Species;Amount;T) Density of aqueous solution (kg/m3)

Arg. 2 = Weight fractions, max = 1, Arg. 3 = temperature °C
Stream/Flow iteration (reverse) Description (Return value):

STREAMTH(Species;Amount;H;Tmin;TMax) Temperature of stream/flow (species in kmol) at given enthalpy between Tmin
and Tmax
FLOWTH(Species;Amount;H;Tmin;TMax) Outside range returns #VALUE!
STREAMTHKG(Species;Amount;H;TMin;TMax) Temperature of stream/flow (species in kg) at given enthalpy between Tmin and
Tmax
FLOWTHKG(Species;Amount;H;Tmin;TMax) Outside range returns #VALUE!
STREAMTHNM3(Species;Amount;H;Tmin;TMax) Temperature of stream/flow (species in Nm3) at given enthalpy between Tmin

and Tmax
FLOWTHNM3(Species;Amount;H;Tmin;TMax) Outside range returns #VALUE!
STREAMTHLAT(Species;Amount;H;Tmin;TMax) Temperature of stream/flow (species in kmol) at given enthalpy excluding phase

transformations between Tmin and Tmax
FLOWTHLAT(Species;Amount;H;Tmin;TMax) Outside range returns #VALUE!
STREAMTS(Species;Amount;S;Tmin;TMax) Temperature of stream/flow (species in Mmol) at given entropy between Tmin

and Tmax
FLOWTS(Species;Amount;S;Tmin;TMax) Outside range returns #VALUE!
STREAMTCP(Species;Amount;CP;Tmin;TMax) Temperature of stream/flow (species in Mmol) at given heat capacity between

Tmin and Tmax
FLOWTH(Species;Amount;H;Tmin;TMax) Outside range returns #VALUE!
STREAMTG(Species;Amount;G;Tmin;TMax) Temperature of stream/flow (species in kmol) at given gibbs energy between

Tmin and Tmax
FLOWTG(Species;Amount;G;Tmin;TMax) Outside range returns #VALUE!
Equilibrium Compositions Description (Return value):

StreamEQ(Species;Input;Output, T, P) Equlibrium amounts of species based on given amounts, temperature and
pressure.
Table 2: Description of all currently available HSC Stream based add-in functions.
Figure 3: Example including all available Excel add-in functions (AddInSample.xls).

27.4 Stream Equilibrium Function (Array Functions)

The array functions are created in different way than normal spreadsheet functions. The
most important array function of HSC-Sim is Stre amEQ which calculates the amounts of
species in the equilibrium state at given temperature and pressure.
Fig. 4. Selection for array function.
You may create array function in MS Excel and HSC-Sim using the same procedure:
1. Create continuos list of phases and species in one column. Important: The phase
name string must always start with §-character, Fig. 4.
2. Specify temperatures of the phases into the next column on the §-phase-row.
3. Specify the input amounts (moles) of the species into the next column.
4. Select array function cell range, see Fig. 4.
5. Type array function: =StreamEQ(A4:A15;B4:B15;C1;C2), Fig. 5.
6. Keep Crtl + Shift keys down and press Enter, Fig. 6.
7. The array function is ready if it is within brackets, Fig. 6.
Please note that the array function cell range must be continuous, it is like a solid and fixed
block within spreadsheet. Do not brake off this cell range with uncontinuous copy-paste,
insert rows, delete rows, etc. operations.
Fig. 5. Type array function.
Fig. 6. Keep Crtl + Shift keys down and press Enter.

27.5 HSC AddIn Functions

Some of the AddIn functions are available on in HSC Chemistry streadsheets but not in
MS Excel. Currently the StreamX is such a function:
Function Stre amX
Syntax StreamX(StremName;ParticlesRange;Variable)
Examples StreamX(E$6;$E$56:$E$97;$B8)
StreamX(“ROM”;$E$56:$E$97;”SiO2”)
Explanation Returns the value of the variable, e.g. SiO2 content of the stream
calculated according to particles. Note that particle data can be corrected
to be in harmony with chemical and mineral composition of the bulk feed.
Applications StreamX functions is used in Mineral Based Models
Other HSC AddIn functions are StreamX, Re cove ryX, Particle Re cX, FractionX,
Mine ralX. These are described in more details in chapter "57. Mineral Based Models".
27.6 More about registering DLL Files

The HSC 6.0 installation routine should take care of all necessary DLL registrations.
When selecting/deselecting the HSC 6.0 add-in using Excel, HSC6.DLL is automatically
registered/unregistered. However, it is also possible to register/unregister the HSC6.DLL
file manually. The program to achieve this is called Regsvr32.exe*) and registration is
completed using the following method:
Note: For other HSC6 installation paths than C:\HSC6, simply use your path instead in the
instuctions below.
1. Select “Start, Run...” from the Windows menu.

2. Type “re gsvr32 C:\HSC6\HSC6.dll” for registering HSC 6.0 add-in functions.
Alternatively it can be achieved using the following method:
1. Double-click the file “HSC6.DLL” in your HSC directory.

2. If the file is not registered automatically, which is indicated by an “Ope n
With”-dialog box, choose “Othe r…” in the dialog window.
3. Select “Re gsvr32.e xe ” from your Windows System directory. Now double-click
the file again and it should register automatically.
When unregistering files follow the same procedure, but add the /u switch before the file
name, i.e. “re gsvr32 /u C:\HSC6\HSC6.DLL” for unregistering HSC6.dll.
*De scription of Re gsvr32.e xe
To add .ocx and certain .dll files, it will be necessary to run REGSVR32.EXE from the
Run option in the Start menu. The following are the commands and switches needed:
regsvr32 [/u] [/s] [n] [i [:cmdline]] dll name or ocx name
/u (unregistered server)
/s (silent; display no message boxes)
/c (console output)
/i Call dll or ocx install passing it an optional [cmdline];
when used with /u calls dll or ocx uninstall
/n Do not call dll RegisterServer; this option must be used with /I
28. HSC - DATABASES
HSC Chemistry can handle two active databases simultaneously, denoted as the Own and
the Main database. The current version of the Main database contains thermochemical
data of more than 20000 species, including pure substances and aqueous species. The Own
database is reserved for the data specified by the user. It is empty when the user gets the
software, but up to 60000 species can be saved into one Own database.
All the calculation options of HSC Chemistry utilize the same databases, and therefore they
are an essential part of the program. In the database the enthalpy (H), entropy (S) and heat
capacity (C) values of the elements and compounds are saved together with a variety of
additional information.
Note that HSC Chemistry primarily uses the Own database, file OwnDB6.HSC, if the
same species is found in both files. It is not recommended, therefore, to edit the Main
database, file MainDB6.HSC. It would be more convenient to save new data into the Own
database. Any valid file names and directories can be used for the OwnDB6.HSC and
MainDB6.HSC database files, and both can easily be changed.
All HSC database files may usually be found from \HSC6\Databases folder. Old
MainDB3.HSC, MainDB4.HSC and MainDB5.HSC files are included with the new
MainDB6.HSC database file. Note that different basic thermochemical data may cause
differences to the calculation results. For example, use of HSC MainDB4.HSC or
MainDB5.HSC database files may lead to different calculation results. See Chapte r 31 for
details.
28.1 Database Menu
Fig. 1. The Database Menu.

The Database Menu, Fig. 1, makes it possible to search for the species on the basis of
given elements, list species, print data, edit old data, save new data, etc. It can also convert
thermochemical data to the H, S and Cp formats for saving in the HSC-databases. You can
select these options by pressing the appropriate buttons in the Database Menu.
28.2 Notations and Abbreviations used in the Database

The chemical formulae are written using a standard formalism and as briefly as possible.
However, there are some exceptions, because superscripts and subscripts cannot be used.
These will be discussed in the following paragraphs in more detail. See also Chapter 34.
Species, for a complete list of all the species in the Main database.
Thermodynamic data for the solid and liquid phases of a substance is usually saved under
the same formula name: for example, the formula Cu contains data for solid (fcc) and liquid
copper. Gaseous substances, however, have their own records and their names have the
extension (g), for example Cu(g).
If the extension (l) is added to a chemical formula and such a substance is not found in the
database files, HSC automatically searches the records for the liquid phase, extrapolates its
H and S to 298.15 K, using the Cp data of the liquid, and saves the results with the
extension (l) in the OWNDB6.HSC file. This permits extrapolation of the liquid data to
lower temperatures. Be careful, however, when utilizing the extrapolated values as the
method is purely mathematical, especially if the temperature of your system is far from the
stable liquid temperature range of the species considered.
Exceptions to the normal chemical notation are the formulae, which start with a
stoichiometric number. An extra * character (for example *2MgO*SiO2) must be added at
the beginning of such a formula.
Because different composition coordinates have been used for aqueous species in the HSC
database, they must be distinguished from other species with a similar stoichiometry. This is
done using the suffix (ending) "a)" with uncharged aqueous molecules, radicals and ions, for
example:
H+ = H(+a)
OH- = OH(-a)
Fe +3 = Fe(+3a) etc.
HSC also calculates the electronic neutrality of the system and therefore the suffix (ending)
of an ionized species must also contain the charge, for example H(+a), OH(-a), Fe(+3a),
etc. Ionized gaseous species are written using the similar formalism: Ar(+g), H2(+g), etc.
Endings can also be used to distinguish compounds with a similar chemical formula, for
example, different allotropic forms, organic isomers, etc. Here are some examples:
C = Graphite
C(D) = Diamond
C8H10 = Dimethylbenzene
C8H10(E) = Octadiyne
Note that the endings must be inside parentheses. However, the use of lower-case letters s,
l, g or a is not allowed, because they are reserved to distinguish the states of matter, i.e. the
solid, liquid, gas and aqueous states.
28.2.1 HSC Formula Syntax

An easy and illustrative specification method of species is needed in thermochemical
calculations. In inorganic chemistry this is not usually a problem, because traditional
formulae are quite short and illustrative. However, problems arise with some natural
minerals with quite long and complicated formulae and especially with many extremely
complicated organic species, for example:
C6H4(COO(CH2)7CH3CH(CH3)2)2 = Diisodecyl phthalate.
Species could be identified using chemical names, but these are very clumsy to use,
Chemical Abstract numbers are not illustrative, structural formulae could be very long and
cross formulae are not enough. These are the main reasons for the formula syntax which is
used in HSC Chemistry 6.0. The basic idea of this syntax is described in the previous
Chapter 28.2 and in Fig. 2. More details are given in the following paragraphs as well as in
Chapter 29. Hydrocarbons for the organic species.
Cross formula Identifier Charge State

C6H4Cl2 12D +2 g
C6H4Cl2(12D+2g) 1,2-Dichlorobenzene
Suffix
(12D+2g)
Fig. 2. The chemical formula syntax used in HSC Chemistry 6.0.
1. The maximum length of a formula is 24 characters. With simple inorganic species the
traditional formula syntax can be used. However, if the structural formula with suffix
is longer than 24 characters, then a cross formula must be used, see Fig. 2.
2. Superscripts and subscripts cannot be used.
3. Inner parentheses are not allowed, for example:
H2(Sn(OH)6) is not a valid formula, use H2Sn(OH)6, instead.
4. The last parentheses, at the end of the formula, are always reserved for the suffix,
see Fig. 2. Therefore you cannot use the formula AlO(OH). Please write it in one of
the following ways: AlO2H, AlO*OH or AlO*(OH).
5. The last two characters specify the state if the last character of the formula is “)”.
E.g. gas, liquid and aqueous identifiers must be at the end of the suffix. See the
following examples and Fig. 2:
As(g) Monoatomic arsenic gas
O2(g) Diatomic oxygen gas
Fe(l) Liquid iron
OH(-a) Aqueous OH ion (charge = -1)
6. Gaseous species always need the “g)” suffix. The state identifier “s)” is not used for
the solid species. Normally the liquid species are also written without the “l)” suffix,

but sometimes an “l)” suffix must be added to the formula. See Chapter 28.11 for
details, because incorrect selections may cause big errors.
7. The charge of an ion must be written just before the state identifier with the correct
plus or minus sign. For example: H(+a), SO4(-2a), O2(-g), etc., see Fig. 2. The phase
code ao is used in the database for undissociated aqueous species (ions) and ai for
aqueous electrolyte (neutral), which are formed from undissociated aqueous species.
Note that the suffix “ia)” is used for the ai species and “a)” for ao ones.
8. Identical cross formulae must be separated from each other using the identifier just
before the charge and state identifiers, see Fig. 2. These identifiers should be
constructed from the name of the substance. Substances with the same composition,
but different crystal structure, can easily be separated from each other using only one
character identifier. Note that the most common form of the substance is written
without any suffix. For example:
C Carbon
C(D) Diamond
FeS2 Pyrite
FeS2(M) Marcasite
The situation with organic substances is not as simple because there are a number of
substances with the same cross formula. Therefore longer identifiers must be used,
but it is recommended to keep the length of the identifier to three characters, see Fig.
2. In many cases the identifier must be longer, for example:
C7H6N2O4(26DNTg) 2.6-Dinitrotoluene
C7H6N2O4(34DNTg) 3.4-Dinitrotoluene
Numbers can also be used in the identifier, but the last character of the identifier
cannot be a number, because it might be confused with a charge, for example:
CH2ClBr(CBM+2g), where +2 is a charge, see also Fig. 2 and Chapter 29.
Hydrocarbons.
9. The formula before the suffix can be written in many ways, usually the same syntax
as in the original data source is used in the main database of HSC. However, in some
cases there is no established and settled syntax for all the formulae and therefore
sometimes a differerent syntax has been used in the HSC 6.0 database, for example:
CaMgSiO4= CaO*MgO*SiO2 Calcium magnesium silicate
MgTi2O5 = MgO*2TiO2 Magnesium dititanium pentaoxide
The new Find option in the database menu can be used to display all the formulae
with the same elements and stoichiometry, see Fig. 1. The formula can be written
using nearly any conventional syntax to find the species with the same stoichiometry.
Another useful feature, which is in nearly all the calculation modules, is the possibility
to check the name of any species in the database as well as collect formulae directly
from the database, see Chapter 10. Reaction equations, Fig. 10.
10. The formula cannot start with a number character. For example, 2MgO*SiO2 is not a
valid formula, because the reaction equation module may confuse the first “2”
character with the stoichiometric coefficient in a reaction. Please add an asterisk “*”
character onto the beginning of such a formula: i.e. *2MgO*SiO2.
Please note that you can easily check the name and other data of a species in most of the
HSC modules by double clicking the formula in the list or using the right mouse button.

28.3 Reference States

The reference state used in the databases is the most stable phase of the pure elements at
298.15 K and 1 bar. The enthalpy and entropy scales of the e le me nts are therefore fixed
in HSC Chemistry by defining:
H° = 0 at 25 °C and 1 bar.
S° = 0 at 0 K and 1 bar (absolute entropy scale, third law scale).
Previously the standard pressure was one atm, but more recently 1 bar has been adopted.
This has negligible effect on H, S and Cp values at 298.15 K.
The data of aqueous species is given for a theoretical 1 mol/kg H2O solution at 25 °C and 1
bar, which is extrapolated from an infinite dilution on a molality scale. The aqueous ions
have been saved using the conventions traditionally used in aqueous chemistry. The scale is
fixed assuming that the enthalpy, entropy and heat capacity values, for a hydrogen ion (H+)
at all temperatures, are zero in a hypothetical ideal, one molal solution (1 mol/kg H2O), i.e.:
DH°(H+) = 0 DS°(H+) = 0 Cp(H+) = 0
The different scales between aqueous ions and other substances in HSC database do not,
however, cause inconveniences in the calculations, because HSC Chemistry makes the
scale conversions automatically, if you remember to use the "a)"-extension with the aqueous
species, with the proper integer and sign for the charge, i.e., (+a), (-2a), etc. Note however
that the phase code ao is used in the database for undissociated aqueous species (ions) and
ai for aqueous electrolyte (neutral), which are formed from undissociated aqueous species.
28.4 Aqueous Ions

The thermodynamic properties of aqueous ions are traditionally given only at 25 °C, which
limits the use of calculations to room temperatures. Therefore HSC Chemistry extrapolates
the heat capacity values of such ions to higher temperatures by an empirical correlation, the
Criss-Cobble method, if the Criss-Cobble option is selected. This method has been
described in the following references11-14.
The Criss-Cobble method is only used if the temperature coefficients of the heat capacity
function are not given in the HSC database. It is not used if B, C and/or D are given
together with A. By using this method, it is possible to extrapolate the heat capacity and
estimate their values up to 300 °C. According to previous references in literature 11-14, the
extrapolated Cp values have been found to be quite consistent with the experimental data
available.
HSC Chemistry makes some modifications to the data of aqueous ions:
- The entropy scale of aqueous ions is changed to the "normal" absolute (Third law)
entropy scale by subtracting 5 cal/(mol*K) from the hydrogen ion scale at 25 °C. This is
“the experimental entropy value for hydrogen ions” in the absolute scale14. This
conversion is needed for Criss-Cobble extrapolation and it is invisible for the user.
- The entropy values of aqueous ions contain the mixing entropy to a 1 molal solution.
Therefore the entropy change R*ln xi = 1.987*ln(1/55.51) = 7.981 (cal/mol*K) may be
subtracted from the entropy if a mole fraction scale is used for the aqueous solution.
HSC introduces hypothetical "pure ion" entropies in the GIBBS-program, if the Mixing
Entropy Conve rsion option is selected, Chapter 13.3 of the Equilibrium module, Fig.

5
There are two types of ne utral aque ous spe cie s in the HSC 6.0 database:
1. "ao" as phase code: Data may not be calculated from the species.
2. "ai" as phase code: Data may be directly calculated from the species.
Phase code "ao" is used for undissociated aqueous species (usually ions) and "ai" for
aqueous electrolyte (neutral) which is formed of undissociated aqueous species. The "ai"
species has suffix "ia)" in the HSC 6.0 database but suffix "a)" in HSC 2.0 database. The
number of "ai" species in HSC database is very small and most of them are from NBS 82
data source.
In the HSC Chemistry 6.0 these species may easily be separated without checking the
Phase code from the database, because the "ai" species has a suffix "ia)" in the
MainDB6.HSC database. For example, MnCl2(a) name has changed to MnCl2(ia) because
it's phase code in the database is "ai".
The enthalpy and entropy values of "ai" species may be calculated as a sum of its
dissociated components, for example, enthalpy for MgSO4(ia) is:
MgSO4(ia) = Mg(+2a) + SO4(-2a) = -465.960 +(-909.602) = 1375.562 kJ/mol
This calculation procedure may not give exactly the same results as given for "ao" species
in the HSC database due to the different original data sources for species. The H and S
values for "ao" species such as MgSO4(a) can not be calculated in the same way. Note : It
is recommended to use only "ao" species in the calculations.
The reason for the differences in H, S and Cp values are usually because the HSC
database is collected from 900 different data sources and there is lot of small differences
with the original data for the same species in these sources. For example: HF(a), HF(ia),
H(+a), F(-a) are from different sources.
28.5 Search Option
Fig. 3. Search for species containing given elements.
The HSC database menu offers two ways to find species from the databases. The first
search option finds all the species, which contain some of the given elements, and species
types can also be used as the search criteria. The second search option collects only those
species, which contain all the given elements.
The first search option makes it possible to find all the species, which contain given
elements in the HSC Chemistry’s Own and Main databases. Use the following steps:
1. Select one or more e le me nts, Fig. 3. Press the element buttons or type directly into
the text box. Try for example As, S, O.
2. Select the substance groups, which you are interested in, from Se arch Mode . If you
do not select the "Organic" option, all the species containing hydrogen together with
more than 2 atoms of carbon will be ignored in the search. You can also set a limit
for the number of carbon atoms in the species, for example 4, 6, 7 (up to 9 numbers
may be specified).
Warning: In some cases inorganic species may also contain hydrogen and more than
2 atoms of carbon.

3. Press OK and you will see the species found, see Fig. 7.
28.6 Finding Species with the same Stoichiometry
Fig. 4. Finding species from the databases.
This search option finds only those species, which contain all the given elements in the same
proportion as in the given formula. This means that you can type the formula nearly any
way you like, and elements can be written in any order. For example, if you type
SiO4Fe Fe then you get the following species as a result:
*2FeO*SiO2 Fayalite
Fe2SiO4(B) Beta fayalite
Fe2SiO4(G) Gamma fayalite
If the Fix Ratio of Ele me nts option is selected, Fig. 2, the program searches all the
species with the same stoichiometry ratios. For example, if you type formula AsS into the
input box, you might also get As2S2, As3S3, etc., see Fig. 5. If you do not select this option
you get only AsS, AsS(l), AsS(g), etc.
Fig. 5. Results of a search using AsS key word (formula). Note that you can see the names and data of the
species by double clicking the species formulae.
28.7 Listing Species Names
Fig. 6. List Species Names option.
With the List Names option you can retrieve a list of the species names, which exist in the
Own or Main database. You may switch between the Own and Main database by pressing
Main Database .
If you press Show Data you will see the thermochemical data of the species selected, see
Fig. 6. You can also go directly to the edit option by pressing Edit Data, see Fig. 7. Print
Spe cie s List enables you to print the list of the database species on paper.
An easy way to check the name and data of a species is to double click the formulae in the
list using the mouse. This quickly shows the information of the species, see Chapter 10.
Reaction equations, Fig. 10.
By pressing Exit you return to the Database Menu, see Fig. 1.

28.8 Listing Species Formulae
Fig. 7. Results of the species search made in Fig. 3.
With the List Formulae option you can get a list of all the species formulae, which exist in
the Own and Main Database or only of those, which contain the given elements. This
example, Fig. 7, shows the results of the species search made in Fig. 3. All As, S and O
containing species exist in the Main Database. No such species were found in the Own
Database.
Using Se le ct Ele me nts you may specify the elements for the search, whereas if you
select the All option the list of all species in the databases will be displayed.
If you press Show Data you can see the thermochemical data of the selected species, see
Fig. 8. You may also go directly to the edit option by pressing Edit Data, see Fig. 9.
Print Data will print the database content for the selected species on paper and by using
Form Fe e d you will get the copy from the printer. You can also define how many Rows
pe r Page you want. Print Spe cie s List makes it possible to print a list of database species
formulae on paper. You can switch between the Own and Main databases.

An easy way to check the name and data of a species is to double click the formulae in the
list using the mouse. This will quickly show the information required, see Chapter 10.
Reaction equations, Fig. 10.
By pressing Exit you can return to the Database Menu, Fig. 1.

28.9 Listing Species Data in the Own and Main Database
Fig. 8. List of existing data in main database for As2O3.
The Find Spe cie s with Ke y Word option displays the data, which exist in the Own or
Main database. First, select the database from the Se arch From options in which you are
interested. Then type the element or compound formula in the Formula box and press
Ente r key or Find to see the data.
You may search data using Formula, Structural Formula, Chemical Name, Common Name
or Chemical Abstract Number as a key word. You can make this selection in the Find
What option list. Then you may type the key word and press Ente r key or Find to see the
data.
If the All check box is highlighted, a complete list of all the entries containing the keyword
will be displayed in a new window to the left. From this list it is possible to select the desired
species by simply clicking on them. Only the first entry will be shown if the checkbox is
empty. By clicking the Criss-Cobble check box, you can see the effect of the
Criss-Cobble extrapolation on the heat capacity of aqueous ions if the heat capacity data is
not available in the database, see Chapter 28.4.

Press Print to get a paper copy. Press Form Fe e d to get the paper out of the printer. With
Copy you can copy the data into the Windows Clipboard and then paste it onto other
Windows programs. Note that you must first select the copy area using the mouse and that
you must select at least one cell.
With Copy you can copy the data into the Windows Clipboard and then paste it onto other
Windows programs. Note that you must first select the copy area using the mouse and that
you must select at least one cell.
If you press List you can see a list of all the species in the database and you may select
any species to display its thermochemical data. By pressing Exit you will return to the
Database Menu, see Fig. 1.
28.10 Editing Data in Own and Main Database
Fig. 9. Editing data in the own and main databases.
This option lets you view data in the Own and Main database easily by clicking the species
formula in the list on the left side of the window. You can swap between the Own and
Main Databases using the Option list in the top left corner of the window.
You can edit any value and text if you have more accurate data available, you can also add
or delete temperature ranges. However, you can save the new edited data only in the active
Own Database file. If you want to save the data in the Main Database file, you may select
this file to the Own Database file, see Fig. 18. The following lines give only brief
instructions, for details see the next Chapter 28.11.
1. Select Own or MainDB File from the option list at the top left corner. It is not a
good idea to edit the original Main database. Instead, you can save the same species
with more accurate data in your Own Database. HSC Chemistry always uses the
data from the Own Database when available.
2. Type the formula into the Formula box and press Re ad from: to select the source
database. Find Formula will search the closest match if the species does not exist in
the database.
3. Edit the data. You can type directly into the cell.
4. Press Save to: to save the edited data. It is recommended to save the new data in
the Own Database.
5. Press Exit to exit from the Editing Window. You can return to the Formula List
option by pressing List.
Note that you can delete species from both databases by pressing De le te . You can toggle
between calories and Joules with the Calorie s and Joule s options.
28.11 Saving Data in Own Database
Fig. 10. Saving new data in the active Own Database.
The HSC database editor can be used to show and edit species data of the active Own and
Main Databases. The data can be selected for editing using two procedures:
- The editor will show the data of a selected species in the list on the left side of the
editor window, selection can be made using the mouse. Select the database by using
the option list box at the top left corner of the editor window, see Fig. 10.
- Another way is to type the formula of the species in the Formula box in the upper
row of the window and press Re ad from:. The editor will show the data if it is found
from the selected database, which is shown on the right side of the button.
The user can also type the new data directly in the blank database editor window. It is
recommended to save the data of a new species or the edited data of an old species in the
Own database. The saving must be done using Save to: on the bottom row of the editor.
This button will save the data into the database, which is displayed on the right side of this
button.
In HSC-databases, the data is given as sets of temperature intervals. One H, S and Cp data
set is valid only within a certain temperature range, which normally corresponds to a

thermodynamic phase. Follow these steps when you save new data in the HSC Own
Database. The most important steps have been underlined:
1. Cle ar input fie lds
First clear the Database Editor by selecting Cle ar All from the Edit menu.
2. Units (Esse ntial)
You must decide which energy units you want to use; make this selection with the
Calorie s and Joule s options. Kelvins must always be used as temperature.
3. Formula (24 Characte rs, Essential)
The formula must always be given. The valid formula syntax is described in Chapter
28.2.1. The database editor will automatically calculate the molecular weight when
you type the formula and press Ente r.
The use of the correct state identifier (g, l, a, etc.) is extremely important, because
the calculation modules handle the species in different ways. The state identifier “g)”
must always be used for a gaseous species and “a)” for an aqueous species. Solid
species must be given without the state identifier “s”. Liquid species and different
structural forms can be specified in two ways:
A. One formula for liquid and solid phase s
This format is traditionally used for inorganic species, see example in Fig. 10.
Solid and liquid copper sulfides, as well as its different crystallographic forms,
have the same formula Cu2S in the database. It is extremely important to note
that:
The enthalpy H value in the first temperature range must be the heat of
formation of solid Cu2S at 298.15 K and 1 bar.
The entropy S value in the first temperature range must be the standard
entropy of solid Cu2S at 298.15 K and 1 bar.
The enthalpy H value in the following temperature ranges must be the heats of
phase transformation at the phase transformation temperature. The following
phase transformations can be seen in Fig. 10:
- 376 K: Orthorombic a-Cu2S -> hexagonal b-Cu2S
- 720 K: Hexagonal b-Cu2S -> cubic g-Cu2S
- 1400 K: Cubic g-Cu2S -> liquid Cu2S
The entropy S values in the following temperature ranges are the entropy
changes in the phase transformations. Note that DtrS can be calculated from
the corresponding DtrH values using equation (1) at the transition temperature
Ttr. One must keep in mind that this relation is not valid for the heat of
formation and standard entropy values at 298.15 K.
DtrS = DtrH / Ttr [1]
B. Diffe re nt formulae for liquid and solid phase s
The same data can also be given using different formulae for each substance.
The copper sulfide data in Fig. 10 may be divided into four separate phases:

Cu2S(A), Cu2S(B), Cu2S(C) and Cu2S(l). It is, however, extremely important
to note that for each phase:
The H value in the first temperature range must always be the heat of
formation of solid Cu2S(A), Cu2S(B), Cu2S(C) or liquid Cu2S(l) at 298.15 K
and 1 bar.
The S value in the first temperature range must always be the standard
entropy of solid Cu2S(A), Cu2S(B), Cu2S(C) or liquid Cu2S(l) at 298.15 K and
1 bar, respectively.
The enthalpy and entropy change values for phase transformations cannot be
used. The heat of formation and standard entropy values for each state must
be extrapolated from the normal stability range down to 298.15 K.
Quite often the heat of formation and standard entropy values for organic
species are given for gas, liquid and solid phases separately at 298.15 K. These
values can easily be saved in the HSC database. However, different formulae
must be used for each phase. See, for example, solid Tert-butyl alcohol
C4H10O(TBA), liquid C4H10O(TBAl) and gaseous C4H10O(TBAg) in the
HSC Main Database.
4. Structural Formula (32 Characte rs max)
The structural formula is not utilized by the calculation modules, but it can be used to
specify the species. It may also be used to save normal formula synonyms.
5. Che mical Name (52 Characte rs max)
The chemical name is not needed in thermochemical calculations, but it is very useful
when selecting species for the calculations. Please use lower case characters, but
start with an upper case character, see example in Fig. 10.
6. Common Name (32 Characte rs max)
Usually substances have a short common name, which is used instead of the long
chemical name. Mineralogical, trade, etc. names as well as synonyms can be used.
Please try to use the most common ones in the HSC databases. Please use lower
case characters, but start with an upper case character.
7. Che mical Abstract Numbe r (12 Characte rs max)
The Chemical Abstract number is one precise way to specify substances. However,
this number is not usually available in the original references of the HSC database,
therefore this data is partly defective in HSC 6.0. However, this data field gives the
user the possibility to use CAN numbers in his Own Databases.
8. Mole cular We ight (Numbe r, Essential)
You can type the molecular weight in this data field. However, this is usually not
necessary, because the Database Editor calculates the value automatically if you
press Ente r in the Formula field. The molecular weight must be given, because the
calculation modules use the MW values in the amount unit conversions.
9. Me lting and Boiling points (Numbe r)
This data is not used by the calculation modules. However, the values can help a lot
when analyzing the calculation results. Negative values mean that the substance

decomposes before the melting or boiling point.
10. Te mpe rature Range T1 - T2 (Numbe r, Essential)
The valid temperature range must always be given for the H, S and Cp data, because
calculation modules use these temperatures in nearly all calculations. The basic idea
of temperature ranges is described in the previous Formula paragraph. Remember
also that:
- The first limit T1 is the lowest temperature where the Cp data A, B, C and D
are valid. Traditionally the first temperature range starts from 298.15 K (= T1).
However, other temperatures may be used.
- The second temperature T2 is the highest temperature where the Cp data A,
B, C and D are valid.
- Quite often the upper limit T2 is the phase transformation temperature.
However, sometimes the heat capacity temperature dependence of a phase is
so complicated that it has been divided into several ranges. In these cases the
phase transformation enthalpy and entropy values are zero (0).
- The temperature ranges of a substance and formula must be continuous. No
discontinuities are allowed.
11. Phase (2 Characte rs, Esse ntial)
The correct state code must be given for the species: g for gases, l for liquids and s
for solids. The code ao is used for undissociated aqueous species (usually ions) and
ai for aqueous electrolyte (neutral), which are formed from undissociated aqueous
species. The ai species has suffix “ia)” in HSC database.
The enthalpy and entropy values of ai species may be calculated as a sum of its
dissociated components, for example enthalpy for MgSO4(ia) is:
MgSO4(ia) = Mg(+2a) + SO4(-2a) = -465.960 +(-909.602) = 1375.562 kJ/mol
This calculation may not give exactly the same results as given for ao species in the
HSC database due to different original data sources. The H and S values for ao
species such as MgSO4(a) can not be calculated in the same way. It is
recommended to use only ao species in the calculations.
12. H (Numbe r, Essential)
The first enthalpy value at 298.15 K and 1 bar must always be the he at of
formation of the same state as described in the formula and phase fields. If there
are several temperature ranges, the other H values are the heats of tranformations at
the phase transformation temperatures. Note that the heat of formation for elements
is zero at 298.15 K.
13. S (Numbe r, Essential)
The first entropy value at 298.15 K and 1 bar must always be the standard e ntropy
of the same state as described in the formula and phase fields. If there are several
temperature ranges, the other S values are the entropies of phase tranformations at
the transformation temperatures.
14. A, B, C and D (Numbe rs)
These values are the coefficients of the heat capacity function, see Chapter 8.

Introduction, equation 4. These coefficients are not needed if thermochemical
calculations are done at 298.15 K or near that temperature. At other temperatures it
is essential to know this data.
Quite often A, B, C and D coefficients are not available, and the heat capacity values
are listed as a function of temperature only. These values can easily be converted to
A, B, C and D coefficients using the Cp Fitting option of the database menu.
Sometimes the coefficients A, B, C and D are given for other heat capacity functions
than used in HSC Chemistry. Their coefficients can also be converted to HSC
format using the Cp fitting option of the database menu.
15. De nsity (Numbe r)
The calculation modules use density values in the mol - kg - Nm3 - conversions.
However, missing density values do not usually cause too much trouble. Kg/l units
have been used for the condensed species and g/l for gases.
16. Color (Numbe r)
Color of the substances is given using the color code. See Chapter 28.18 for color
codes. "0" - value means that data is not available.
17. Solubility (Numbe r)
These values are not yet available in HSC 6.0. This field is provided in order to
guarantee the compability of the database with future versions of HSC.
18. Re fe re nce (36 Characte rs)
It is always recommended to also give the original reference of the data. There are
only 36 characters available for the references and therefore abbreviations must be
used. The abbreviations are formed using the author name and the year of
publication. The Main Database abbreviations are given in alphabetical order in
Chapter 33. Data references.
19. Re liability Class (Numbe r)
The data in the HSC Main database have been collected from a large number of
sources. Especially in some old sources, the accuracy of the H, S and Cp data does
not seem to be so good. However, all this data has been included in the Main
database, because in some cases small errors in the basic thermochemical data are
not critical.
The Reliability class gives a rough estimate of the reliability of the data. The best
reliability code is 1 and worst is 10. Usually, new data books’ have a reliability class
of 1. The user can easily edit the reliability class of different references using the
Class option in the Edit menu. The reliability class offers one additional key word,
which can be used to sort species.
You can insert and delete temperature ranges with the Column options in the Inse rt and
De le te me nus. You can switch between calories and Joules with cal. However, all values
are saved as calories in the database. By using List you can go directly to the List
Formulae option. With the Fit Cp Data button you can go to the Cp Fitting module. With
Exit you can return to the Menu.
Save to: will save the data shown in the database editor in the database shown on the right

side of this button. You can get a paper copy of the data with Print and Form Fe e d
options in the File menu.
If you save new data in your Own database, please send your OwnDB.HSC file with its
literature references to Outokumpu Research (address on the first page). We can then later
add this novel pure substance data to the Main database and distribute it to other HSC
users.
28.12 Fitting Cp Data
Fig. 11. HSC database Cp Fitting module with NaF Cp data.
Quite often only the heat capacity values at different temperatures are available. You can
convert these data to A, B, C and D coefficients using the following procedure:
1. Select Calorie s or Joule s.
2. Select Cle ar All from the Edit menu.
3. Type the lower and upper limits of the temperature ranges to the T1 and T2 cells, for
example: 298.15 and 1265 K, 1265 and 2000 K.
4. Press Calculate Cp using Ste p:. This will automatically calculate the temperatures
to the T - Cp - table on the left side of the window using the given temperature step.
Note that you can also type and edit these temperatures manually.
5. Type the heat capacity values to the Cp e xp column.
6. Select the Cp Range which you want to fit, from the list under Fit Cp Range :. If
you only want to fit some of the coefficients then type “N” to other cells. See the
example in Fig. 11.
7. Press Fit Cp Range :.
8. You will get the fitted A, B, C and D coefficients to the table on the right side of the
window. The fitting option will also calculate the Cp data using the fitted coefficients
in the Cp fit column. It will also calculate the difference (Error %) between the
“experimental” and the calculated value.
Usually the Cp ranges are the same as the phase stability ranges. However, if the
error % is too high, then you can try to divide the temperature range into even
smaller parts. Diagram will show the results in a graphical format.
9. When all the ranges have been fitted, you may copy the coefficients to the database
by pressing Save to Database , see Chapter 28.11.
28.13 Converting Cp Functions
Fig. 12. Converting Cp functions to the HSC format.
In some references the Cp coefficients A, B, C, D, etc. are based on another

Cp-expression than that used in HSC Chemistry. The coefficients cannot be saved into the
HSC databases. They can be converted to the HSC format using the following procedure:
1. Select Calorie s or Joule s for the converted A, B, C and D, i.e. for the results.
2. Select Cle ar All from the Edit menu.
3. Select the Cp formula from the list under the Se t Cp Formula for Cp Range and

press Se t Cp Formula for Cp Range or type the formula manually into the Cp
Funct. cell.
4. Type the unit string in the Units row, for example J/(kmol*K), i.e. the units of
original coefficients.
5. Type the lower and upper limits of temperature ranges into T1 and T2 cells, for
example: 298.15 and 1500 K.
6. Type the Cp function coefficients A, B, C, D, etc. into the correct Cp Range column.
7. Press Conve rt Cp Functions to HSC Format. This will automatically divide the
given Cp Range into 10 parts and calculates the Cp values at these temperatures.
Then the conversion procedure continues in the same way as in Chapter 28.12. The
results will be shown in the same way as in Fig. 11.
8. When all the ranges have been converted, you may copy the coefficients to the
database by pressing Save to Database and continue as described in Chapter 28.11.
28.14 Converting Thermochemical Data to H, S and Cp format.
Fig. 13. Converting G(T)-function to H, S and Cp format.
For some substances only Gibbs energy G values are available in the literature as a function
of temperature. You must convert these values to H, S as well as to Cp coefficients A, B,
C and D if you want to save them in HSC Chemistry databases. Conversion is simple:
1. First select Calorie s or Joule s from the option boxes.
2. Then select Delta G(T) or G(T) format, depending on your original data, with De lta
G(T).
3. If you have selected the Delta format, please write the corresponding formula in the
Formula box, i.e. Cu2S.
4. Type the coefficients of the G(T)-function in the upper boxes of the window.
5. Press Conve rt to get the corresponding Delta H, S, A, B, C and D in the lower
boxes.
6. Press De lta to Normal to convert the delta H, S, A, B, C and D to the “normal”
values, which can be saved in the HSC database.
7. Press Save HSC to transfer the data into the Database Editor.
With the Conve rt option you may also calculate ∆fH and ∆fS values as well as the
Cp-coefficients of a reaction, ∆A, ∆B, ∆C and ∆D, to the enthalpy of formation Hf(298.15),

standard entropy S°(298.15) and Cp coefficients A, B, C and D for saving in the HSC
database. You must only give the Formula and delta values, as the De lta to Normal
button automatically creates the correct chemical reaction for the formation.
You can copy the data to other Windows programs with Copy. With Print and Form
Fe e d you will get a paper copy of the data. The Cle ar option clears all the cells. With Find
from HSC Database you can read data from the HSC databases onto the screen if you
have first given the chemical formula. The Criss-Cobble option forces HSC to extrapolate
the Cp values of aqueous ions using the Criss-Cobble method, see Chapter 28.4.
The conversion of ∆H, S, A, B, C and D to normal values can also be done manually.
Calculations have been carried out in the following example. The reaction for formation of
Cu2S, with pure copper and condensed sulfur as the raw materials will be:
2C u + S = C u2S
∆Gr = -14.394 - 86.625e -3T + 13.574e -3TlnT - 17.817e -6T^2 - 185.3T^-1
h s a b c d
-14.394 -86.625 13.574 -17.817 -185.3 0
Press the Conve rt button, Fig. 13:
De lta H De lta S De lta A De lta B De lta C De lta D De lta G

kcal/ cal/ cal/
m ol m ol*K m ol*K
-18.100 4.252 -13.574 35.634 3.706 0.000 -19.368
From these ∆H, ∆S and ∆Cp values you must solve the H, S and Cp values of Cu2S. You
can find the H, S and Cp data of Cu and S in the HSC database:
H(C u2S ) = ∆Hr + 2H(C u ) +H(S) = -18.100 + 2*0 + 0 = -18.100 kcal/m ol
S(C u2S ) = ∆S r + 2S (C u ) +S (S) = 4.252 + 2*7.926 + 7.662 = 27.766 cal/(m ol*K)
A B C D
∆C p = 1* ( -13.574 35.634 3.706 0 )
C p(C u) = 2* ( 7.308 -2.707 -0.785 2.342)
C p(S ) = 1* ( 4.011 4.794 0 0 )
-----------------------------------------------------
C p(C u2S ) = 5.053 35.014 2.136 4.684 cal/(m ol*K)
These "normal" H(Cu2S), S(Cu2S) and Cp(Cu2S) values can be saved in the OwnDB.HSC
database.
28.15 Convert Database File Format
Fig. 14. Database manipulation module.
This module is intended only for advanced HSC Chemistry users, who work with database
development. This module offers tools for combining databases, sorting species in the
databases, recalculating molecular weights, file conversions, etc. These kinds of operations
are not needed at all with normal HSC calculations.
One important option is the database sorting routine in the Sort menu. The species must be
in descending alphabetical order according to elements in the formula. Usually HSC
6.0 keeps this order automatically in the database, but if you have old HSC 2.0 databases
converted to HSC 6.0 format or data file made by convert module, Fig. 14, you must sort
these files in alphabetical order using the Sort option, see Fig. 15.
Fig. 15. Sorting an old HSC database file in alphabetical order according to elements. Please note that you
have to convert this file first to HSC 6.0 format before applying the sorting option.
Fig. 16. Combining two HSC database files.
One important routine is the HSC1 to HSC2 file option in the Inse rt menu. This option
will insert a species in one database, for example, HSC1.HSC to a second database
HSC2.HSC. It will overwrite the species in the HSC2-database if the same species exists
in both databases, see Fig. 16. Both files must be in sorted into alphabetical order with the
Sort selection before the Inse rt procedure is selected.
If the Show Duplicate s option is selected, Fig. 16, the program will show the data for the
duplicate species for both files and you have an opportunity to select better data with Take
Source Data or Take Targe t Data. You can also edit data before the final selection is
made.
File menu offers several options, which can be used to read and save the HSC database
files in different file formats. The same kind of file conversions can also be done using the
Conve rt menu.
28.16 Converting old HSC 2.0 Databases to HSC 4.0 Format
Fig. 17. Converting old HSC 2.0 Main database to HSC 6.0 format.
You cannot use HSC 2.0 databases directly in HSC 6.0. You must first convert them to
HSC 6.0 format. If you select Conve rt old Database s to ne w Format in the Database
Menu, see Fig. 1, you will get to the Convert window, see Fig. 17.
You must first select the old HSC 2.0 database file by pressing Se le ct HSC 2.0 Database
and then you must press Conve rt to HSC 3.0 Format to carry out the conversion.
28.17 Selecting Active Databases
Fig. 18. Changing the active database.
Two databases can be open at the same time. They are called the Own and the Main
database. Nearly any valid file name and directory can be used. However, the suffix (type)
of these files must be *.HSC (Note: Awdb4.HSC file is in HSC internal use). HSC
Chemistry calculation modules primarily use the data in the Own database. If a
species is not found from the Own database the HSC tries to find it from the Main
database.
Active databases can be changed at any time by pressing Se le ct Active Database s in the
Database Menu, see Fig. 1. The active databases can be selected using Ope n Own DB
and Ope n Main DB. Sometimes, especially when working with old HSC 2.0 files it is
recommended to also press Re fre sh Catalogue after opening the file. This will make a
separate *.CAT file which helps HSC Chemistry to find the correct species in the
database. Print Catalogue will print this *.CAT file.
Active databases can be saved using different names using Save Own DB and Save
Main DB. You can easily create a new empty HSC 6.0 database file using Cre ate Ne w
Database .
Numbe r of Spe cie s will give the number of different species in the database. The number
of species is usually smaller than the number of temperature ranges in the file, because
some species have several temperature ranges.
28.18 Color Codes

The color of the substaces is given for some species with the following color codes in HSC
6.0 main database:
0. No data available
1. Blue
2. Green
3. Cyan
4. Red
5. Magenta (blue-red)
6. Brown
7. White
8. Dark Grey
9. Light Blue
10. Light Green
11. Light Cyan
12. Light Red
13. Light Magenta
14. Light Yellow
15. Bright White
16. Colorless
17. Yellow
18. Grey
19. Black
20. Orange
21. Yellow-grey
22. Yellow-brown
23. Red-brown
24. Orange-yellow
25. Yellow-green
26. Black-brown
27. White brown
28. Orange-green
29. Blue-green
30. Dark-green
31. Blue-black
32. Red-orange
33. Yellow-orange
34. Green-yellow
35. Brown-black
36. Green-blue
37. Orange-red
38. Brown-yellow
39. Dark-red

40. Brown-violet
41. Red-violet
42. Violet-black
43. Yellow-black
44. Blue-white
45. Red-black
46. Green-black
47. Purple-black
48. Grey-brown
49. Brown-red
50. Gold-brown
51. Gold-yellow
52. Blue-grey
53. Orange-brown
Paivi Riikone n August 10, 2006 06120-ORC-T
29. HSC Formula Syntax for Hydrocarbon Species

Identification of species in HSC Chemistry is based on unique chemical formulae for each different species. This idea
works fine with basic inorganic chemicals, but there are some problems with complicated organic compounds. The
structural formula may be too long and inconvenient to use and there may be several different species for the same
cross formula. Another problem is the large number of synonymes for many organic compounds. Therefore cross
formulas with specific suffix have been used in the HSC database for the most of the organic compounds, see
Chapter 21.2.1. This appendix will give more information on the syntax for organic species and instructions how to
find a specific compound from the database.
Chemical and common names, as well as CAS numbers, are given for the most of the species in the HSC database.
They will help a lot to identify the compounds. The species in the HSC database are arranged in alphabetical order by
chemical formulae and suffixes. For example, 4-Ethyl-1,2-dimethylbenzen C10H14(4E12DMB) is before the
Butylbenzene C10H14(BB) in the species list.
The chemical names of the species are usually based on IUPAC1 rules. These may be summarized as follows: A) find
the longest carbon chain in the compound, B) name each appendage group which is attached to this principal chain,
C) alphabetize the appendage groups and D) number the principal chain from one end in such a way that the lower
number is used at the first point of difference in the two possible series of locates.
A functional group in the hydrocarbon, either a double bond, a hydroxy group or an amino group will determine both
the characteristics and the name of the compound. The functional group will have the lowest number in the principal
chain of the hydrocarbon. If there are several functional groups in the compound, the name of the com-pound is
determined according to the strongest functional group. For example, we have aminoacids, which contain both amino
and acid groups, but they are called acids because the acid group is stronger than the amino group.
29.1 Basic hydrocarbons, CxHy
Naming and marking a basic hydrocarbon begins from the alkanes homologues series. Alkanes, alkenes and alkynes
are marked by similar letters, but cannot be mixed up because their chemical formulas differ in the number of
hydrogen atoms. Similarly the appendage groups derived from alkanes use the very same letters.
Remember that the number of appendage groups does not affect the alphabetical order of the appendage groups in
the chemical name. Numbers are also marked. For example 3-Ethyl-2,4-dimethylpentane is marked 3E24DMP. Notice
also that in the chemical name there is a comma separating the different numbers not a point. “Mono” is seldom used
in the names of hydrocarbons and exists often only in the deuterium compound names.
Sometimes straight chain alkanes have the n character in their name, like the n-butane, which means a normal butane,
so the compound is not the isobutane. In the HSC n is not used in the compound names. Cyclocompounds are
marked with the C character, for example, cyclobutane is marked CB. There are also deuterium compounds in the HSC
database. Their formula is the same as the corresponding hydrogen formula, but deuterium is marked with the D
character.
If there is a double bond in the compound there may be a chance that there are two different stereoisomers, cis and
trans or Z and E. These isomers are named and marked as different compounds and the c, t, Z or E character is located
before the actual compound name. If there is a chiral C-atom in the hydrocarbon then the compound is optically
active. The absolute configuration of the compound is determined by D and R characters before the actual name of
the compound. Optically active isomers interact with plane polarized light a different way, and that is marked by - and
+ in the isomer name.
Large hydrocarbon compounds can be very complicated. The appendage group may have its own appendage groups
and there might be parentheses in the compound name; parentheses are not, however, used in the suffix.
Table 1.
Chemical Name Suffix Formula
1-Butyl-2-methylbenzene 1B2MB C11H16
3-Ethyl-2,2-dimethylpentane 3E22DMP C9H20
Tridecylcyclohexane TCH C19H38
29.1.1 Appendage groups

Common alkane type appendage groups are the iso-group, sec-group and tert-group. These are used in the common
name, but not in the chemical name.
Table 1.1.
Chemical Name Common Name Suffix Formula Structural formula
1,1-Dimethylethyl- tert-Butyl- TB- -C(CH3)3
1-Methylethyl- Isopropyl- IP- -CH(CH3)2
2-Chlorobutane sec-Butyl chloride SBC C4H9Cl CH3CH2CHClCH3
29.1.2 Aromatic compounds

Benzenes are marked B. In the large compounds there might be a need to consider benzene as an appendage group in
which case it is marked P, phenyl-.
If there are only two appendage groups, the name of the benzene compound can be formed by the ortho- meta-
para-system. Ortho- (shortened -o-), appendage groups are in the 1 and 2 positions, in meta- (shortened -m-), they are
in the 1 and 3 positions and in para- (shortened -p-) they are in the 1 and 4 positions. In the HSC database
orto-meta-para derived names are used only in the common names. Many aromatic compounds have specific common
names.
Table 1.2.
1,2-(1,8-Naphthalene)benzene Fluoranthene FLU C16H10
1,2-Dimethylbenzene o-Xylene OXY C8H10 C(CH3)C(CH3)CHCHCHCH
1,3-Dimethylbenzene m-Xylene MXY C8H10 C(CH3)CHC(CH3)CHCHCH
1,4-Dimethylbenzene p-Xylene PXY C8H10 H3C(C6H4)CH3
1H-Indene Indene IN C9H8 (C6H4)(C3H4)
1-Methylethylbenzene Cumene CUM C9H12 (C6H5)CH(CH3)2
Anthracene Anthracene A C14H10 (C6H4)(C2H2)(C6H4)
Benzene Benzene B C6H6
Benzo(a)phenathrene Chrysene CR C18H12
Benzo(def)phenanthrene Pyrene PYR C16H10
Bicyclo(2.2.1)hept-2-ene 2-Norbornene 2NOR C7H10
Bicyclo(5.3.0)deca-2,4,6,8,10-pentaene Azulene AZE C10H8
Dibenz(de,kl)anthracene Perylene PER C20H12
Ethenylbenzene Styrene STY C8H8 C6H5CHCH2
Methylbenzene Toluene TLU C7H8 C6H5CH3
Naphthalene Naphthalene N C10H8 (C6H4)(C4H4)
Phenanthrene Phenanthrene PA C14H10
Phenylbenzene Biphenyl BP C12H10 (C6H5)2
29.2 Halogen compounds

All the halogen compounds containing the carbon atom are named hydrocarbons. If there is more than one halogen,
halogens follow the alphabetical order. Halogens are also marked with single letters derived from the name.
Table 2.
Bromotriiodomethane Bromotriiodomethane BTIM CBrI3
Chloromethane Methyl chloride CM CH3Cl
29.3 Hydrocarbons containing nitrogen
29.3.1 Amines, R-NH2, R1-NH-R2, R1,R2-N-R3
Amines are marked with A. For example, the hexanamine is marked HA. In an amine, the hydrogen atoms of nitrogen
can be substituted by different appendage groups. If there is more than one substituent the place of the substituent is
informed by the N character. The name of the compound is determined by the most complicated substituent in the
amine. Many cyclic amines have specific names.
Table 3.1.

1H-Indole Indole IND C8H7N
1H-Pyrrole Azole PYR C4H5N CHCHNCHCH
4-Methylbenzenamine p-Toluidine PTO C7H9N (C6H4)CH3NH2
Benzenamine Aniline ANI C6H7N C6H5NH2
Benzo(b)pyridine Quinoline QUI C9H7N
Isoquinoline Isoquinoline IQL C9H7N
Pyridine Azine PYR C5H5N NCHCHCHCHCH
29.3.2 Amino acids

Amino acids have specific names.
Table 3.2.
2-Amino-3-hydroxy- butanoic acid Threonine THR C4H9NO3
2-Amino-3-indolepropanoic acid Tryptophan TRP C11H12N2O2
2-Amino-3-methylbutanoic acid Valine VAL C5H11NO2
2-Amino-3-phenyl- propanoic acid Phenylalanine PHE C9H11NO2
2-Aminopentanoic acid Glutamic acid GLU C5H9NO4
2-Aminopropanoic acid Alanine ALA C3H7NO2 CH3CH(NH2)COOH
2,6-Diaminohexanoic acid Lysine LYS C6H14N2O2 H2N(CH2)4CH(NH2)CO2H
2-Aninosuccinamic acid Asparagine ASN C4H8N2O3 H2NCOCH2CH(NH2)COOH
2-Aminobutanedioic acid Aspartic acid ASP C4H7NO4
3-(4-Hydroxyphenyl)alanine Tyrosine TYR C9H11NO3
Aminoacetic acid Glysine GLY C2H5NO2 H2NCH2COOH
S-2-amino-3-hydroxy- Serine SER C3H7NO3
propanoic acid
S-2-amino-4-methyl- Leucine LEU C6H13NO2
pentanoic acid
S-2,5-diamino-5-oxo-pentanoic acid Glutamine GLN C5H10N2O3
29.3.3 Hydrazines, R-NH-NH2
Hydrazines are marked with H character.

Table 3.3.
1,1-Dimethylhydrazine 1,1-Dimethyl-hydrazine 11DMH C2H8N (CH3)2NNH2
Methylhydrazine Methylhydrazine MH CN2H6 H3CNHNH2

29.3.4 Amides, R-C=0 - NH2
Amides are marked with A. In an amide the hydrogen atoms of nitrogen can be substituted by different appendage
groups. If there is more than one substituent the place of the substituent is informed by the N character. The name of
the compound is determined by the most complicated substituent in the amide.
Table 3.4.
Hexanamide Hexanamide HA C6H13NO CH3(CH2)4CONH2
Methanamide Methanamide MA CH3NO HCONH2
29.3.5 Nitriles, R≡ N
Nitriles are marked with N. Sometimes nitriles are called cyano-compounds, but in the HSC database cyano- is not
used. Pyridine, which is a cyclic nitrile compound, is marked with P.
Table 3.5.
2,2-Dimethylpropanenitrile tert-Butyl cyanide 22DMPN C5H9N (CH3)3CCN
Hexanenitrile Pentyl cyanide HN C6H11N CH3(CH2)4CN
Propanenitrile Ethyl cyanide PN C3H5N CH3CH2CN
29.3.6 Nitro-compounds, nitrates, R-NO2
Nitro-compounds are marked with N.
Table 3.6.
1-Nitrobutane 1-Nitrobutane 1NB C4H9NO2 CH3CH2CH2CH2NO2
1-Nitropropane 1-Nitropropane 1NP C3H7NO2 CH3CH2CH2NO2
29.4 Hydrocarbons containing oxygen
29.4.1 Ethers, R1-O-R2
Ethers are marked with E. For example, the ethyl methyl ether is marked EME. If there is more than one ether-oxygen in
the compound the compound is given an oxy-prefix. Some ethers have specific names.
Table 4.1.
Ethoxybenzene Phenetole PLE C8H10O C6H5OCH2CH3
Ethyl methyl ether Methoxyethane EME C3H8O CH3OCH2CH3
Furan Furan F C4H4O CHOCHCHCH (cyclic)
Methyl phenyl ether Anisole, Methoxybenzene ANS C7H8O C6H5OCH3
Oxirane Ethylene oxide OXI C2H4O OCH2CH2 (cyclic)
Oxetane Trimethylene oxide OXE C3H6O OCH2CH2CH2 (cyclic)
Tetrahydrofuran Oxolane THF C4H8O
29.4.2 Aldehydes, R-C=0 -H
The end of the aldehyde name is the suffix-nal, AL stands for an aldehyde.
Table 4.2.

Acetaldehyde Ethanal ACE C2H4O CH3CHO
Formaldehyde Methanal CH2O HCHO, H2CO
Hexanal Caproaldehyde HAL C6H12O CH3(CH2)4CHO
Propanal Propionaldehyde PAL C3H6O CH3CH2CHO
29.4.3 Ketones, R1-C=O -R2
The suffix one is used at the end of ketone names. N stands for a ketone in the formula suffix. Ketones are named as
straight chain alkanes, not like ethers or by the oxo-prefix.
Table 4.3.
3-Pentanone Diethyl ketone 3PN C5H10O CH3CH2COCH2CH3
Butanone Ethyl methyl ketone BN C4H8O CH3CH2COCH3
Propanone Acetone PN C3H6O CH3COCH3
29.4.4 Esters
Esters are marked by taking one letter from the alcohol-derived name and two letters from the acid-derived name. In
the HSC database methanoates and ethanoates are formates and acetates as they are commonly named.
Table 4.4.
Butyl acetate Butyl acetate BAC C6H12O2 CH3COOCH2CH2CH2CH3
Methyl 2-methyl-2-propenoate Methyl methacrylate M2M2PR C5H8O2 CH2C(CH3)COOCH3
Octyl formate Octyl formate OFO C9H18O2 HCOO(CH2)7CH3
Propyl propanoate Propyl propionate PPR C6H12O2 CH3CH2COOCH2CH2CH3
29.4.5 Alcohols and carbohydrates
Alcohols are marked with OL. Diols and triols are marked respectively DOL and TOL, if they do not have a specific
common name. Many carbohydrates have specific names like glucose and mannose
Table 4.5.
1,2,3-Propanetriol Glycerol GLY C3H8O3 CH2OHCHOHCH2OH
1,2-Ethanediol Ethyleneglycol EGL C2H6O2 CH2OHCH2OH
Ethanol Ethanol EOL C2H6O CH3CH2OH
D-(+)-glucose D-(+)-glucose DGLU C6H12O6

29.4.6 Phenols
Many phenol-derived compounds have specific common names.
Table 4.6.
1,2-Benzenediol Catechol CAT C6H6O2 HO(C6H4)OH
1,3-Benzenediol Resorcinol RES C6H6O2 HO(C6H4)OH
1,4-Benzenediol Hydroquinone HQU C6H6O2 HO(C6H4)OH
2-Methoxyphenol Guiacol GUA C7H8O2 CH3O(C6H4)OH
2-Methylphenol o-Cresol OCR C7H8O C(OH)C(CH3)CHCHCHCH
3-Methylphenol m-Cresol MCR C7H8O C(OH)CHC(CH3)CHCHCH
4-Methylphenol p-Cresol PCR C7H8O H3C(C6H4)OH
Phenol Phenol PHE C6H6O C6H5OH
29.4.7 Acids
Acids are marked with A character and diacids with DA.
Table 4.7.
Butanedioic acid Succinic acid SUC C4H8O2 CH3CH2CH2COOH
Ethanoic acid Acetic acid ACE C2H4O2 CH3COOH
Methanoic acid Formic acid FOR CH2O2 CHOOH
Propanoic acid Propionic acid PA C3H6O2 CH3CH2COOH

29.5 Hydrocarbons containing sulfide
29.5.1 Thiols, R-SH

Thiols are marked with T.
Table 5.1.
1,4-Butanedithiol Tetramethylenedithiol 14BDT C4H10S2 CH2SHCH2CH2CH2SH
Ethanethiol Ethyl mercaptan ET C2H6S CH3CH2SH
29.5.2 Sulfides, thia-compounds, R1-S-R2

Thia-compounds are named like ethers. Thiophene, which is a cyclic sulfide compound, is marked with TH.
Table 5.2.
Dimethyl sulfide 2-Thiapropane DMS C2H6S CH3SCH3
Ethyl methyl sulfide 2-Thiabutane EMS C3H8S CH3SCH2CH3
29.5.3 Disulfides, dithia-compounds, R1-S-S-R2

Disulfides are named like ethers and marked with DS.
Table 5.3.
Ethyl methyl disulfide 2,3-Dithiapentane EMDS C3H8S2 CH3SSCH2CH3
29.5.4 Sulfoxides
Sulfoxides are named like ethers and marked with SX.
Table 5.4.
Diethyl sulfoxide 1,1’-Sulfinyl-bis(ethane) DESX C4H10SO (CH3CH2)2SO
29.5.5 Sulfones
Sulfones are named like ethers and marked with SN.
Table 5.5.
Dimethyl sulfone Sulfonylbismethane DMSN C2H6SO2 (CH3)2SO2
29.6 Reference
Streitweiser, A., Heatcock, C. H., Introduction to Organic Chemistry, Macmillan Publishing Company, New York, 1989.
30. ACKNOWLEDGMENTS
Although HSC Chemistry is a product of Outokumpu Research Oy (ORC), the
development of many important calculation modules as well as the large database would
not have been possible without the co-operation and help from other sources. I would like
to express my deep gratitude especially to the following people who have played an
important role in the development of HSC 5.0 and previous versions:
− Ahokainen Tapio, Helsinki Univ. of Tech.: Gas Radiation Calculator, HeatLoss-testing
− Andersin Erik, Outokumpu Engineering Contractors Oy: Tpp-module (original code)
− Anttila Kai, ORC: EpH- and Tpp-modules
− Björklund Peter, Helsinki Univ. of Tech.: Balance-, HeatLoss- and Water-modules
− Eskelinen Jari, Helsinki Univ. of Tech. (HUT): GIBBS-routine
− Fine Alan, Russell W. Univ. of Kentucky: Lpp-module
− Haung H-H, Montana Tech.: EpH-module (original code)
− Lampinen Markku and Vuorisalo Jari, HUT: CELL- and other modules
− Mansikka-aho Jarkko, Satakunta Polytechnic: Graphics- and Help-routines
− Morris Arthur and Murphy D.P., Univ. of Missouri-Rolla: Lpp-module
− Shah N, Univ. of Kentucky: Lpp-module
− Syväjärvi Timo, Pyroprocess Ky: GIBBS-routine
− Talonen Timo, Outokumpu Research Oy: GIBBS-routine (original code)
− Taskinen Pekka, ORC: supervision, comments, ideas, G-conversion, etc.
− Teppo Osmo, HUT: modifications in SOLGASMIX-routine
Appreciation is also expressed to these who have made contributions to HSC database
development. I am especially indebted to the following people:
− Jalkanen Heikki, Helsinki Univ. of Tech.
− Kobylin Petri, Helsinki Univ. of Tech.
− Kolhinen Tero, Helsinki Univ. of Tech.
− Koskinen Heli, Åbo Akademi
− Kujala Jukka, Pori School of Technology and Economics
− Liikanen Olli, Helsinki Univ.
− Lindström Matti, Tech. Univ. of Lappeenranta
− Nurminen Jaana, ORC
− Paloranta Matias, Univ. of Oulu
− Parpala Katja, Univ. of Joensuu
− Riikonen Päivi, Tech. Univ. of Lappeenranta
− Seppänen Jukka, Helsinki Univ. of Tech.
− Talonen Tarja, Univ. of Turku
− Taskinen Pekka, ORC
− Torikka Hanna, Univ. of Turku
− Öpik Andres, Tallinn Tech. Univ.
I am also especially grateful to Pekka Taskinen, Markku Kytö, Timo Talonen, Sigmund
Fugleberg and Heikki Eerola for reviewing the manuscript and the program. I thank them
for their many valuable comments and suggestions.
Special thanks belong also to Prof. Erik Rosen of Umeå University for permission to use
SOLGASMIX with HSC Chemistry and also to Osmo Teppo for gram modification. The
algorithm has been originally written by Gunnar Eriksson in the Univ. of Umeå, Sweden.

The original GIBBS-solver has been written by Timo Talonen, Jari Eskelinen and Timo
Syväjärvi. The CELL program was created by the following authors:
- Lampinen, M.J; Theory behind the program *)
- Vuorisalo, J; Program *)
*) Helsinki University of Technology, Department of Energy Engineering.
The PSD program was made by:
- Fine A. Russell W and Shah N, Univ. of Kentucky: Original code
- Morris A and Murphy, Univ. of Missouri-Rolla: Improvements
The Eh-pH-program is based on STABCAL - program - Stability Calculations for
Aqueous Systems - developed by H.H. Haung, at Montana Tech., USA.
All the credits of successful marketing, sales and customer service of HSC Chemistry
belong to Satu Mansikka.
Modification and integration of all the programs and database into HSC Chemistry
software was carried out by Antti Roine.
The ne w Sim module de ve lopme nt te am is:
- Tuukka Kotiranta
- Pertti Lamberg
- Jarkko Mansikka-aho
- Jussi-Pekka Kentala
- Peter Bjorklund
- Tarja Talonen
- Antti Roine
Expertize of several other persons have also be utilize:
- Reijo Ahlberg
- Antti Grön
- Olli Saarinen
- Jorma Myyri
- Jussi Sipilä
- Asmo Vartiainen
- etc.
31. THERMOCHEMICAL DATA SOURCES

Traditionally, the thermochemical data of species has been measured experimentally using
many different kinds of devices and by processing the data obtained by various calculation
procedures. In some cases thermochemical data can also be reliably estimated using
theoretical methods, but in most cases experimental methods produce the most accurate
data.
The data in the HSC Chemistry Main database is not critically evaluated or always
internally consistent. However, the accuracy is usually good enough for most
thermo-chemical calculations. HSC provides fast access to data and references found in
literature. The following principles have been used in HSC database development work:
1. Where possible, the compiled data has always been taken from the most recent
reliable source if the data differs from the older sources.
2. If the same data values in a new source have been published earlier, the old original
source is mentioned as a reference.
3. If major discrepancies are found with the data sources, a simple evaluation of the
best data has been carried out.
The critical evaluation of the data means that particular data has been collected from many
different sources and cross-checked with several different thermochemical dependencies.
Errors due to different measurement methods also have be taken into account. All the
species must be compared with each others in order to get internally consistent data.
The data in HSC database is not always internally consistent because the data has been
collected from more than 900 different sources. However, the data should be more
consistent with the external (absolute) scales because the most reliable and recent H, S
and Cp data sources have been used. Figure 1 illustrates the meaning of internal and
external consistency of house height data.
Fig. 1: Internal vs. external (absolute) height scales of the house.

The HSC Main database with some 17000 species is of course incomplete, because the
number of different substances is infinite. However, it does offer a fairly good source of
thermochemical data for many common substances.
If you do not find some specific compound in the HSC database, you can try to make a
computer search from international reference databanks, because thermodynamic data can
be found in many articles in scientific journals. For example, you can search from the
Chemical Abstracts database, which you can find in DIALOG or STN databanks. Key
words can be, for example: compound name, thermodynamics, enthalpy, heat capacity, etc.
Of course you need a modem to carry out the search and you have to be a registered user
of DIALOG or STN.
The reference lists in Chapte rs 32 and 33 give a review of thermochemical data
sources. Most of the references have been used to collect data for the HSC Main
database. The abbreviations used in the HSC database have been given in the left column
in alphabetical order.
If you have some new thermochemical data, which is missing from the HSC 5 database,
please send it to Outokumpu Research Oy. We can then make it available for other HSC
users in future HSC versions.
32. REFERENCES
1. Barin I, Knacke O, and Kubaschewski O: Thermodynamic Properties of Inorganic
Substances, Springer-Verlag, Berlin, 1973, Supplement 1977
2. Pankratz L.B.: Thermodynamic Properties of Halides, U.S. Dept. of the Interior, Bureau
of Mines, Bulletin 674, 1984.
3. Eriksson G.: Thermodynamic Studies of High Temperature Equilibria XII. SOLGASMIX,
a computer program for calculation of equilibrium compositions in multiphase systems.
Chem. Scripta 8(1975), pp. 100-103
4. Eriksson G., Hack K.: ChemSage - A Computer Program for the Calculation of Complex
Chemical Equilibria. Metall. Trans. 21B(1990), pp. 1013-23
5. White W.B., Johnson S.M. and Dantzig G.B.: Chemical Equilibrium in Complex Mixtures.
Journal of Chemical Physics 28(1958), pp. 751-755
6. Eriksson G.: Quantitative Equilibrium Calculations in Multiphase Systems at High
Temperatures, with Special Reference to the Roasting of Chalcopyrite. Ph.D. Thesis,
Univ. Umeå, Sweden, 1975
7. Lampinen M.J., Vuorisalo J.: Thermodynamic Analysis of Chemical and Electrochemical
Systems with a Computer Program; Basic Theory with Illustrations. Acta Polytechn.
Scand., Series No. 202, Helsinki 1992.
8. Lampinen M.J., Vuorisalo J.: Mathematical analysis of phase rule for systems with
electrostatic energy. J. Chem. Phys. 95(1991)11, pp. 8401-9.
9. Haung, H.: Construction of Eh - pH and other stability diagrams of uranium in a
multicomponent system with a microcomputer - I. Domains of predominance diagrams.
Canadian Metallurgical Quarterly, 28(1989), July-September, pp. 225-234.
10. Haung, H.: Construction of Eh - pH and other stability diagrams of uranium in a
multicomponent system with a microcomputer - II. Distribution diagrams. Canadian
Metallurgical Quarterly, 28(1989), July-September, pp. 235-239.
11. Criss C.M. and Cobble J.W.: The Thermodynamic Properties of High Temperature
Aqueous Solutions. V. The Calculation of Ionic Heat Capacities up to 200 °C. Entropies
and Heat Capacities above 200 °C. J. Am. Chem. Soc. 86 (1964), pp. 5385-91, 90-93.
12. Pourbaix M: Atlas of Electrochemical Equilibria in Aqueous Solutions. Oxford University
Press, U.K., 1966.
13. Taylor D.F.: Thermodynamic Properties of Metal-Water Systems at Elevated
Temperatures, J. Electrochem. Soc. 125 (1978) 5, pp. 808-11.
14. Barner H.E. and Scheuerman R.V.: Handbook of Thermochemical Data for Compounds
and Aqueous Species, John Wiley & Sons Inc., New York, 1978.
15. Archer, D. G., Wang, P.: The Dielectric Constant of Water and Debye-Hückel Limiting
Law Slopes. Journal of Physical Chemistry Reference Data 2(1990), Vol 19, pp. 371-411.
16. CRC Handbook of Chemistry and Physics, 75th Ed., CRC Press, 1995. pp. 6-15 - 6-16.
17. Tayer, L. L. Development and Interpretation of Computer-Generated Potential-pH
Diagrams. UMI Dissertation Services, Arizona State University, USA, 1995. pp. 1-25
18. Chen, C. M., Aral, K., Theus, G. J.: Computer-Calculated Potential pH Diagrams to 300
°C, Volume 1. Executive Summary. Alliance, The Babcock & Wilcox Company, USA,
1983. pp. 2-1 - 2-10, 3-1 - 3-10.
19. Hayes, P. C.: Process Selection in Extractive Metallurgy. Brisbane, Hayes Publishing Co,
Australia, 1985. pp. 189-192.


33. DATA REFERENCES
HSC 6 Thermochemical Data Sources (948 References)

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Alberty 85 Alberty R. A.. Standard Chemical T hermodynamic Properties of Alkylbenzene Isomer Groups. J. of P hys. and
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Alberty 89 Alberty R. A., et al. Standard Chemical T hermodynamic P roperties of Polycyclic Aromatic Hydrocarbons and
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Alcock 76 Alcock, C.B., et al., Zirconium : P hysico-Chemical Properties of its Compounds and Alloys. Atomic Energy
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Alcock 89 Alcock, C.B. T hermodynamic data for uranium and thorium intermetallic compounds: a historical perspective.
J. of nuclear materials, Vol 167, pp. 7-13, 1976.
Alcock 93 Alcock C. B., Chace M.W., Itkin V., T hermodynamic properties of the group IIA elements, J. of Phys. and
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Alekseev 84 Alekseev, A.I., Bukseev, V.V., Balabanovich, Ya.K., Rodina, N.I., T yulenev, A.V., Yur'eva, V.I.
T hermodynamic Data on Calcium Fluorosilicates of the Composition CaSiF6*nH2O. J. of Applied Chemistry
of the USSR, Vol. 57, No. 7, Part 1, pp. 1342-1346, 1984.

Alik 80 Alikhanyan, A.S., Steblevskii, A.V., Lazarev, V.B., Kalinnikov, V.T ., Grinberg, Ya.Kh., Zhukov, E.G.,
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Molar Enthalpy of Formation of HfMo2O8. J.of Alloys and Compounds, Vol. 230, No. 1, pp. 13-15, 1995.
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Bise 97 Bisengalieva, M.R., Kiseleva, I.A., Melchakova, L.V., Ogorodova, L.P ., Gurevich, A.M., T he molar heat
capacity of hydrous copper chloride: atacamite Cu2Cl(OH)3, J. Chem. T hermodynamics, Vol. 29, pp.
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Ac
Ac(g)
Ac(+3a)
Ac(+g)
AcBr3(g)
AcBr3(ia)
Ac2(C2O4)3(ia)
AcCl3
Ac(ClO4)3(ia)
AcF3
AcI3(ia)
Ac(NO3)3(ia)
Ac2O3
Ac(OH)3
Ac(OH)3(ia)
Ac2(SO4)3(ia)
Ag
Ag(l)
Ag(g)
Ag2(g)
Ag(+2a)
Ag(+g)
Ag(+a)
Ag3AsO4
Ag3AsO4(ia)
AgAt
Ag2BaS2
Ag4BaS3
AgBr
AgBr(g)
AgBr(ia)
AgBrO2
AgBrO3
AgBrO3(ia)
AgC2H4(+a)
AgCH3CO2
AgCH3CO2(ia)
AgCH3COO(a)
Ag(CH3COO)2(-a)
AgC2H3O2
Ag2C2H3O2
AgCHOO(ia)
AgCN
AgCN(ia)
Ag(CN)2(-a)
Ag(CN)3(-2a)
AgCNO
AgCNS
AgCO3
Ag2CO3
Ag2CO3(ia)
Ag2C2O4
Ag2C2O4(ia)
Ag(CO3)(-a)
Ag(CO3)2(-3a)
AgCd
AgCl
AgCl(g)
AgCl(a)
Ag3Cl3(g)
AgCl2(-a)
AgCl3(-2a)
AgCl4(-a)
AgCl4(-3a)
AgCl*NH3
AgClO2
AgClO2(ia)
AgClO3
AgClO3(ia)
AgClO4
AgClO4(ia)
AgCrO4
Ag2CrO4
Ag2CrO4(ia)
Ag2Cr2O7(ia)
AgD(g)
AgF
AgF(g)
AgF(a)
AgF2
AgF*H2O
AgF*2H2O
AgF*4H2O
AgH(g)
Ag(H3)(T g)
AgHS(a)
Ag(HS)2(-a)
AgI
AgI(g)
AgI(ia)
Ag3I3(g)
AgI3(-2a)
AgIO3
AgIO3(ia)
AgMnO4(ia)
Ag2MoO4
Ag2MoO4(ia)
AgN3
AgN3(ia)
Ag(NH3)2(+a)
Ag(NH3)2Br(ia)
Ag(NH2CH2COO)(a)
Ag(NH3)2Cl(ia)
Ag(NH3)2NO3(ia)
AgNO2
AgNO2(ia)
AgNO3
AgNO3(a)
Ag2N2O2
AgNbO3(ia)
AgO
AgO(g)
AgO2
Ag2O
Ag2O2
Ag2O3
AgO(-a)
AgOH(a)
AgP2
AgP3
Ag3PO4
Ag3PO4(ia)
AgReO4
AgS(g)
Ag1.64S
Ag2S
Ag2S(g)
Ag2S(A)
Ag2S(AC)
Ag2S(B)
AgSCN
AgSCN(ia)
Ag2SO3
Ag2SO3(ia)
Ag2SO4
Ag2SO4(ia)
AgSO4(-a)
AgS2O3(-a)
Ag(SO3)2(-3a)
Ag(SO3)3(-5a)
Ag(S2O3)2(-3a)
Ag3Sb
AgSe(g)
Ag2Se
Ag2Se(g)
Ag2SeO3
Ag2SeO3(ia)
Ag2SeO4
Ag2SeO4(a)
Ag2SeO4(ia)
AgT e
AgT e(g)
Ag1.64T e
Ag2T e
Ag2T e(g)
AgUF6
AgVO3(ia)
AgWO4
Ag2WO4
Ag2WO4(a)
Al
Al(g)
Al(FCC)
Al(HCP )
Al2(g)
Al(+3a)
Al(+3g)
Al(+3a)
Al(+g)
Al(-g)
Al(AlO2)3(ia)
AlAs
AlAs(g)
AlAsO4
AlAsO4(ia)
AlB2
AlB12
AlB3H12(l)
Al(BH4)3(l)
AlB3H12(g)
AlBO2(g)
Al4B2O9
Al18B4O33
Al6BeO10
Al6BeO10(l)
AlBr(g)
AlBr3
AlBr3(g)
AlBr3(ia)
Al2Br6
Al2Br6(g)
Al(BrO3)3(ia)
AlC(g)
AlC2(g)
Al2C2(g)
Al4C3
AlC3H9
AlC3H9(g)
AlC6H15
AlC8H19
AlC9H21
Al(CH3COO)3(a)
AlCH3COO(+2a)
Al(CH3COO)2(+a)
Al4C3*6H2O
Al(CHOO)3(ia)
Al(CN)3(ia)
Al2CO
Al2(CO3)3(ia)
Al2(C2O4)3(ia)
Al4CO4
Al2Ca
Al4Ca
Al2Ce
Al4Ce
AlCl(g)
AlCl2(g)
AlCl3
AlCl3(g)
AlCl3(a)
Al2Cl4(g)
Al2Cl6
Al2Cl6(g)
AlCl(+g)
AlCl2(+g)
AlCl2(-g)
AlClF(g)
AlClF2(g)
AlCl2F(g)
AlClF(+g)
AlClFH(g)
AlClH(g)
AlClH2(g)
AlCl2H(g)
AlCl3*6H2O
AlClO
AlClO(g)
Al(ClO)3(ia)
Al(ClO2)3(ia)
Al(ClO3)3(ia)
Al(ClO4)3(ia)
AlCl(OH)(g)
AlCl(OH)2(g)
AlCl2(OH)(g)
AlCo
Al5Co2
Al2(CrO4)3(ia)
Al2(Cr2O7)3(ia)
AlCuS(g)
AlCuS2(g)
AlD(g)
AlF(g)
AlF2(g)
AlF3
AlF3(g)
AlF3(a)
Al2F6(g)
AlF(+2a)
AlF(+g)
AlF2(+a)
AlF2(+g)
AlF2(-g)
AlF4(-g)
AlF4(-a)
AlF5(-2a)
AlF6(-3a)
AlFH(g)
AlFH2(g)
AlF2H(g)
AlF3*0.5H2O
AlF3*3H2O
AlF4Na(g)
AlFO(g)
AlF2O(g)
AlF(OH)(g)
AlF(OH)2(g)
AlF2(OH)(g)
AlH(g)
AlH2(g)
AlH3
AlH3(g)
Al(H3)(T g)
AlH4K
Al(HO2)3(ia)
AlI(g)
AlI3
AlI3(g)
AlI3(ia)
Al(I3)3(ia)
Al2I6
Al2I6(g)
(AlI3)3(g)
Al(IO3)3(ia)
Al5K3H6(PO4)8*18H2O
Al2La
AlLi
Al4Mg2Si5O18
Al(MnO4)3(ia)
Al2(MoO4)3
AlN
AlN(g)
Al(NO2)3(ia)
Al(NO3)3(ia)
Al(NO3)3*6H2O
AlNi
AlNi3
Al3Ni
Al3Ni2
AlO
AlO(g)
AlO2(g)
Al2O(g)
Al2O2(g)
Al2O3
Al2O3(l)
Al2O3(g)
Al2O3(C)
Al2O3(D)
Al2O3(G)
Al2O3(K)
AlO(+g)
AlO(+a)
AlO(-g)
AlO2(-g)
AlO2(-a)
Al2O(+g)
Al2O2(+g)
Al(OCN)3(ia)
AlOCl
AlOCl(g)
AlOCl2(g)
AlOF(g)
AlOF2(g)
AlOH(g)
Al(OH)2(g)
Al(OH)3
Al(OH)3(g)
Al(OH)3(a)
Al(OH)3(G)
AlOH(+2a)
AlOH(+g)
AlOH(-g)
Al(OH)2(+a)
Al(OH)4(-a)
Al2(OH)2(+4a)
Al3(OH)4(+5a)
Al(OH)F2(a)
Al(OH)2F(a)
Al(OH)F(+a)
Al(OH)3F(-a)
Al2O3*H2O
Al2O3*H2O(B)
Al2O3*3H2O
Al2O3*3H2O(B)
AlO(OH)(g)
AlO(OH)(B)
AlO(OH)(D)
Al13O4(OH)24(+7a)
Al2O3*SiO2(D)
Al2O3*2SiO2
*3Al2O3*2SiO2
Al2O3*2SiO2*2H2O
Al2O3*SrO
Al2O3*SrO(ia)
Al2O3*T iO2
AlP
AlP(g)
AlP2(g)
AlPO4
Al4(P2O7)3(ia)
AlPO4*2H2O
AlS(g)
AlS2(g)
Al2S(g)
(AlS)2(g)
Al2S3
Al2S3(ia)
Al(SCN)3(ia)
Al2(SO3)3(ia)
Al2(SO4)3
Al2(SO4)3(ia)
Al2(S2O3)3(ia)
Al2(SO4)3*6H2O
Al2(SO4)3*6H2O(B)
AlSb
AlSe(g)
Al2Se(g)
Al2Se2(g)
Al2Se3
Al2Se3(ia)
Al(SeCN)3(ia)
Al2(SeO3)3(ia)
Al2(SeO4)3(ia)
Al4SiC4
Al2(SiF6)3(ia)
Al2SiO5(A)
Al2SiO5(K)
Al2SiO5(S)
Al2Si2O7*2H2O(D)
Al2Si2O7*2H2O(H)
Al2Si2O5(OH)4
Al2Si4O10(OH)2
AlT e(g)
AlT e2(g)
Al2T e(g)
Al2T e2(g)
Al2T e3
Al2(T eO3)3(ia)
Al3T h
AlT i
Al3T i
Al2U
Al3U
Al4U
Am
Am(g)
Am(+4a)
Am(+3a)
Am(+2a)
Am(+g)
AmBr3
AmBr3(ia)
Am2C3
AmCH3COO(+2a)
Am2(CO3)3
Am2(C2O4)3(ia)
AmCO3(+a)
Am(CO3)2(-a)
AmCO3OH*0.5H2O
AmCl3
AmCl(+2a)
AmCl2(+a)
Am(ClO4)3(ia)
AmF3
AmF3(g)
AmF3(a)
AmF4
AmF(+2a)
AmF2(+a)
AmH2
AmHCO3(+2a)
Am(HCO3)2(+a)
AmI3
AmI3(ia)
Am(NO3)3(ia)
AmO2
Am2O3
AmO2(+2a)
AmO2(+a)
AmOBr
AmOCl
Am(OH)3
Am(OH)3(a)
AmOH(+2a)
Am(OH)2(+a)
Am(OH)CO3
Am(SCN)3(a)
AmSCN(+2a)
Am(SCN)2(+a)
Am2(SO4)3(ia)
AmSO4(+a)
Am(SO4)2(-a)
Ar(g)
Ar(a)
Ar(0.01barg)
Ar(0.05barg)
Ar(0.1barg)
Ar(0.5barg)
Ar(10000bar)
Ar(1000bar)
Ar(100bar)
Ar(10bar)
Ar(10barg)
Ar(1barg)
Ar(2000bar)
Ar(200bar)
Ar(20bar)
Ar(20barg)
Ar(3000bar)
Ar(300bar)
Ar(30bar)
Ar(30barg)
Ar(4000bar)
Ar(400bar)
Ar(40bar)
Ar(40barg)
Ar(5000bar)
Ar(500bar)
Ar(50bar)
Ar(5bar)
Ar(5barg)
Ar(6000bar)
Ar(600bar)
Ar(60bar)
Ar(7000bar)
Ar(700bar)
Ar(70bar)
Ar(8000bar)
Ar(800bar)
Ar(80bar)
Ar(9000bar)
Ar(900bar)
Ar(90bar)
Ar(+g)
As
As(l)
As(g)
As(A)
As(Y)
As2(g)
As3(g)
As4(g)
As(+5g)
As(+3g)
As(+g)
AsBr3
AsBr3(l)
AsBr3(g)
As(CH3)3
As(CH3)3(g)
AsCl3(l)
AsCl3(g)
AsD3(g)
AsD(H3)2(T g)
AsD2(H3)(T g)
AsF(g)
AsF3(l)
AsF3(g)
AsF5(g)
AsH(g)
AsH2(g)
AsH3(g)
AsH3(a)
As(H3)3(T g)
AsHD2(g)
AsH2D(g)
AsHD(H3)(T g)
AsH(H3)2(T g)
AsH2(H3)(T g)
AsI(g)
AsI2(g)
AsI3
AsI3(g)
As2I4(g)
As2I6(g)
AsN(g)
AsO(g)
AsO2(g)
As2O3
As2O3(l)
As2O3(g)
As2O3(A)
As2O3(C)
As2O3(OR)
As2O4
As2O5
As4O6
As4O6(g)
As4O6(C)
As4O6(M)
As4O7(g)
As4O8(g)
As4O9(g)
As4O10(g)
AsO2(-a)
AsO4(-3a)
AsO4F(-3a)
As(OH)3(a)
As(OH)4(-a)
As2O5*4H2O
AsP (g)
AsP 3(g)
As2P 2(g)
As3P (g)
AsS
AsS(g)
As2S2
As2S3
As2S3(l)
As2S3(g)
As4S4
As4S4(g)
As4S4(B)
As4S6
AsSb3O6
As2Sb2O6
As3SbO6
AsSb3S6
AsSe
AsSe(g)
As2Se3
AsT e(g)
As2T e3
At(g)
At2
At2(g)
At(+g)
At(-g)
Au
Au(g)
Au2(g)
Au(+3a)
Au(+g)
Au(+a)
AuAl
AuAl2
Au3AsO4
AuBr
AuBr3
AuBr2(-a)
AuBr4(-a)
AuC(g)
AuCH3COO(a)
Au(CH3COO)2(-a)
Au(CN)2(-a)
AuCd
AuCl
AuCl(g)
AuCl(a)
AuCl2
AuCl3
Au2Cl2(g)
Au2Cl6(g)
AuCl2(-a)
AuCl3(-2a)
AuCl4(-a)
AuCl3*2H2O
AuCu
AuCu3
AuD(g)
AuF(g)
AuF2
AuF3
AuH(g)
Au(H3)(T g)
Au(HS)2(-a)
AuI
AuO(g)
Au2O3
Au(OH)3
Au(OH)3(P)
Au2P3
AuPb2
AuS(g)
AuSb2
AuSe
AuSe(g)
AuSe(B)
Au2(SeO3)3
Au0.5Sn0.5
AuSn
AuSn2
AuSn4
AuT e(g)
AuT e2
B
B(g)
B(A)
B(B)
B(GL)
B2(g)
B(+3g)
B(+g)
B(-g)
BAs
B2BI4(l)
B2BI4(g)
BBr(g)
BBr2(g)
BBr3(l)
BBr3(g)
BBrCl(g)
BBrCl2(g)
BBr2Cl(g)
BBrF(g)
BBrF2(g)
BBr2F(g)
BBr2H(g)
BBrO(g)
BC(g)
BC2(g)
B2C(g)
B4C
B(CH3)3
B(CH3)3(g)
B(C2H5)3(l)
B(C2H5)3(g)
BCO(g)
BCl(g)
BCl2(g)
BCl3(l)
BCl3(g)
B2Cl4(l)
B2Cl4(g)
BCl(+g)
BCl2(+g)
BCl2(-g)
BClF(g)
BClF2(g)
BCl2F(g)
BCl2H(g)
BClO(g)
B(Cl)OB(Cl)OB(Cl)O(g)
BCsO2
BD(g)
BD3(g)
B2D6(g)
BF(g)
BF2(g)
BF3(g)
B2F4(g)
BF2(+g)
BF2(-g)
BF4(-g)
BF4(-a)
BFO(g)
B2F4O(g)
BF2OH(g)
BF3OH(-a)
BH(g)
BH2(g)
BH3(g)
B(H3)(T g)
B2H6(g)
B4H4(g)
B5H3(l)
B5H3(g)
B5H9(l)
B5H9(g)
B5H11(g)
B6H10(g)
B8H14(g)
B10H14
B10H14(g)
B12H13(g)
BH4(-g)
BH4(-a)
BHBr2(g)
BH3CO(g)
BHCl(g)
BHCl2(g)
BH2Cl(g)
BHF(g)
BHF2(g)
BH2F(g)
B3H3F3(g)
BHFCl(g)
BH4Li
B3H3N3(g)
B3H6N3(l)
B3H6N3(g)
BH3*N(CH3)3
BH3*N(C2H5)3(l)
BH3NH3(g)
BH2O(g)
B3H3O8
B3H3O8(g)
BH(OCH3)2(g)
BI(g)
BI2(g)
BI3
BI3(l)
BI3(g)
BN
BN(g)
BNH6
BO(g)
BO2(g)
B2O(g)
B2O2(g)
(BO)2(g)
B2O3
B2O3(g)
B2O3(A)
B2O3(G)
BO(-g)
BO2(-g)
BO2(-a)
B(OCH3)3(l)
B(OCH3)3(g)
BOCl(g)
(BOCl)3(g)
B3O3Cl3(g)
(BOCl)3(g)
BOF(g)
B3O3F3
B3O3F3(g)
B3O3FCl2(g)
B3O3F2Cl(g)
BOH(g)
B(OH)2(g)
B(OH)3
B(OH)3(g)
B(OH)3(a)
B2(OH)4
B2(OH)4(g)
B3O3H3
(BOH)3(l)
B3O3H3(g)
B(OH)4(-a)
B3O3HF2(g)
B3O3H2F(g)
BP
BS(g)
BS2
BS2(g)
B2S(g)
(BS)2(g)
B2S3
B2S3(g)
B2S4(g)
B4S6(g)
B4S8(g)
BSe(g)
B4Si
B6Si
BT e(g)
Ba
Ba(g)
Ba2(g)
Ba(+2a)
Ba(+2g)
Ba(+2a)
Ba(+g)
BaAl4
BaAl2O4
BaAl2O4(ia)
BaAl12O19
Ba3Al2O6
BaAl2O4*H2O
BaAl2Si2O8
Ba(AsO2)2
Ba3(AsO4)2
Ba3(AsO4)2(ia)
BaBO2(g)
Ba3B2O6
Ba(BiO2)2
BaBr(g)
BaBr2
BaBr2(g)
BaBr2(ia)
BaBr2*H2O
BaBr2*2H2O
Ba(BrO3)2
Ba(BrO3)2(ia)
BaBr(OH)(g)
Ba(BrO3)2*H2O
BaC2
Ba(CH3CO2)2(ia)
Ba(CH3COO)2(a)
BaCH3COO(+a)
Ba(C2H4NO2)2(a)
Ba(C3H6NO2)2(a)
BaC2H4NO2(+a)
BaC3H6NO2(+a)
Ba(CHO2)2(a)
Ba(C2H3O3)2(a)
Ba(C3H5O2)2(a)
Ba(C3H5O3)2(a)
Ba(C4H7O2)2(a)
Ba(C5H9O2)2(a)
BaCHO2(+a)
BaC2H3O3(+a)
BaC3H5O2(+a)
BaC3H5O3(+a)
Ba(C4H7O2)(+a)
BaC5H9O2(+a)
Ba(CN)2(ia)
BaCO3
BaCO3(a)
BaCO3(ia)
BaC2O4(ia)
BaC2O4*0.5H2O
BaC2O4*2H2O
BaC2O4*3.5H2O
BaCeO3
BaCl(g)
BaCl2
BaCl2(g)
BaCl2(ia)
BaCl(+a)
BaCl(+g)
BaCl2*BaO*3H2O
BaCl2*H2O
BaCl2*2H2O
Ba(ClO)2(ia)
Ba(ClO2)2
Ba(ClO3)2(ia)
Ba(ClO4)2
Ba(ClO4)2(ia)
BaCl(OH)(g)
Ba(ClO4)2*3H2O
BaCrO4
BaCrO4(ia)
BaCr2O7(ia)
BaCuO2
BaF(g)
BaF2
BaF2(g)
BaF2(ia)
BaF(+g)
BaF(+a)
BaFCl
BaF(OH)(g)
Ba3Fe2(CN)12(ia)
Ba2Fe(CN)6*6H2O
BaFeO3
BaGeO3
Ba2GeO4
Ba3GeO5
BaH(g)
BaH2
Ba(HCO3)2(ia)
BaHCO3(+a)
BaHfO3
Ba2HfO4
BaI(g)
BaI2
BaI2(g)
BaI2(ia)
Ba(I3)2(ia)
BaI2*H2O
BaI2*2H2O
Ba(IO3)2
Ba(IO3)2(ia)
BaI(OH)(g)
Ba(IO3)2*H2O
Ba(MnO4)2
BaMoO3
BaMoO4
BaMoO4(g)
BaMoO4(ia)
Ba2MoO5
Ba3MoO6
Ba(N3)2
Ba3N2
Ba(N3)2*H2O
Ba(NO2)2(ia)
Ba(NO3)2
Ba(NO3)2(ia)
BaNO3(+a)
BaNb2O6(ia)
BaO
BaO(g)
BaO2
Ba2O
Ba2O(g)
Ba2O2(g)
BaO*Al2O3
*3BaO*Al2O3
BaO*B2O3
BaO*2B2O3
*2BaO*CaO*NpO3
*2BaO*CaO*P uO3
*2BaO*CaO*UO3
BaO*Fe2O3
BaOH(g)
Ba(OH)2
Ba(OH)2(g)
Ba(OH)2(a)
BaOH(+g)
BaOH(+a)
Ba(OH)2*H2O
Ba(OH)2*3H2O
Ba(OH)2*8H2O
*2BaO*MgO*PuO3
BaO*P rO2
BaO*P uO2
*3BaO*P uO3
*2BaO*SrO*NpO3
*2BaO*SrO*PuO3
*2BaO*SrO*UO3
BaO*T bO2
BaO*T iO2
*2BaO*T iO2
BaO*UO2
BaO*UO3
BaO*2UO3
*2BaO*UO2*UO3
BaO*V2O5
BaO*V2O5(ia)
BaO*WO3
Ba3P 2
Ba2P 2O7(ia)
Ba3(P O4)2
Ba3(P O4)2(ia)
BaP b3
Ba2P b
BaP dS2
Ba(ReO4)2(ia)
Ba(ReO4)2*4H2O
BaS
BaS(g)
BaS(ia)
Ba2S2(g)
Ba(SCN)2(ia)
BaSO3(ia)
BaSO4
BaSO4(ia)
BaS2O3(ia)
Ba(SbO3)2
Ba2Sb2O7
Ba3(SbO4)2
BaSc2O4
Ba3Sc4O9
BaSe
BaSe(ia)
BaSeO3
BaSeO3(ia)
BaSeO4
BaSeO4(ia)
BaSiF6
BaSiF6(ia)
BaSiO3
BaSiO3(g)
BaSi2O5
Ba2SiO4
Ba2Si3O8
BaSn3
Ba2Sn
Ba0.543Sr0.457T iO3
BaSrT iO4
BaT e
BaT eO3
BaT eO3(ia)
BaU2O7
Ba2U2O7
Ba3UO6
Ba(UO2)2(P O4)2
Ba3(VO4)2
BaWO4
BaWO4(ia)
Ba2WO5
Ba3WO6
Ba3Yb4O9
BaZrO3
Ba2ZrO4
Be
Be(g)
Be2(g)
Be(+2g)
Be(+2a)
Be(+g)
BeAl2Cl8(g)
BeAl2O4
BeAl2O4(ia)
BeAl6O10
Be3(AsO4)2
BeBO2(g)
Be(BO2)2(g)
Be3B2O6
BeBr(g)
BeBr2
BeBr2(g)
BeBr2(ia)
Be(BrO3)2(ia)
BeBrOH(g)
BeC2(g)
Be2C
Be(CH3COO)2(a)
Be(CH3COO)2(ia)
Be(CH3COO)(+a)
Be(CN)2(ia)
BeCO3
BeCO3(ia)
BeC2O4(ia)
Be(C2O4)2(-2a)
BeCl(g)
BeCl2
BeCl2(g)
BeCl2(a)
BeCl2(A)
BeCl2(B)
Be2Cl4(g)
BeCl(+g)
BeCl(+a)
BeClF(g)
Be(ClO)2(ia)
Be(ClO2)2(ia)
Be(ClO3)2(ia)
Be(ClO4)2(ia)
BeClOH(g)
BeCrO4(ia)
BeCr2O7(ia)
BeF(g)
BeF2
BeF2(g)
BeF2(a)
BeF2(V)
BeF2(ia)
Be2F4(g)
BeF(+a)
BeF3(-a)
BeF4(-2a)
BeF4(NH4)2
BeFOH(a)
BeF(OH)2(-a)
Be2Fe(CN)6(ia)
Be3Fe2(CN)12(ia)
BeH(g)
BeH2
BeH2(g)
BeH(+g)
Be(HCOO)2(ia)
BeI(g)
BeI2
BeI2(g)
BeI2(ia)
Be(I3)2(ia)
Be(IO3)2(ia)
BeIOH(g)
Be(MnO4)2(ia)
BeMoO4
BeMoO4(ia)
BeN(g)
Be3N2
Be(NO2)2(ia)
Be(NO3)2(ia)
Be(NbO3)2
Be(NbO3)2(ia)
BeO
BeO(g)
BeO(a)
BeO(A)
BeO(B)
Be2O(g)
Be2O2(g)
Be3O3(g)
Be4O4(g)
Be5O5(g)
Be6O6(g)
BeO2(-2a)
BeOH(g)
Be(OH)2
Be(OH)2(g)
Be(OH)2(A)
Be(OH)2(B)
Be(OH)2(ia)
BeOH(+g)
BeOH(+a)
Be(OH)3(-a)
Be2OH(+3a)
Be3(OH)3(+3a)
BeP 2O7(ia)
Be3(P O4)2(ia)
Be(ReO4)2(ia)
BeS
BeS(g)
Be(SCN)2(ia)
BeSO3(ia)
BeSO4
BeSO4(A)
BeSO4(B)
BeSO4(G)
BeSO4(ia)
BeS2O3(ia)
BeSO4*H2O
BeSO4*2H2O
BeSO4*3H2O
BeSO4*4H2O
BeSe
BeSe(ia)
BeSeO3(ia)
BeSeO4(ia)
BeSeO4*2H2O
BeSeO4*4H2O
BeSiF6(ia)
BeSiO3
Be2SiO4
BeT e
BeT eO3(ia)
Be13U
Be(VO3)2(ia)
BeWO4
BeWO4(ia)
Bi
Bi(l)
Bi(g)
Bi2(g)
Bi3(g)
Bi4(g)
Bi(+3g)
Bi(+3a)
Bi(+g)
Bi(AlO2)3(ia)
BiAs
BiAs(g)
Bi2As2(g)
Bi3As(g)
BiAsO4
BiBr(g)
BiBr3
BiBr3(g)
Bi(C2H5)3
Bi(C2H5)3(G)
Bi(C2H5)3(SC)
Bi(CH3COO)3(a)
BiCH3COO(+2a)
Bi(CH3COO)2(+a)
Bi(CN)3(ia)
Bi2(CO3)3(ia)
Bi2(C2O4)3(ia)
BiCl
BiCl(g)
BiCl3
BiCl3(g)
BiD(g)
Bi2DyO4Br
Bi2DyO4Cl
Bi2DyO4I
Bi2ErO4Br
Bi2ErO4Cl
Bi2ErO4I
Bi2EuO4Br
Bi2EuO4Cl
Bi2EuO4I
BiF(g)
BiF3
BiF3(g)
BiF4
Bi2GdO4Br
Bi2GdO4Cl
Bi2GdO4I
BiH(g)
BiH3(g)
Bi(HCO3)3(ia)
Bi(HCOO)3(ia)
Bi(HSiF6)3(ia)
Bi2HoO4Br
Bi2HoO4Cl
Bi2HoO4I
BiI
BiI(g)
BiI3
BiI3(g)
BiK3
Bi2LaO4I
Bi2LuO4Br
Bi2LuO4Cl
Bi2LuO4I
BiMn
Bi2NdO4Br
Bi2NdO4Cl
Bi2NdO4I
BiNi
BiO
BiO(g)
Bi2O(Bg)
Bi2O(Lg)
Bi2O2(g)
Bi2O3
Bi2O3(g)
Bi3O4(g)
Bi4O6(g)
BiO(+a)
BiO2(-a)
BiOBr
Bi3O4Br
Bi4O5Br2
Bi24O31Br10
Bi(OCN)3(ia)
BiOCl
Bi3O4Cl
Bi4O5Cl2
Bi12O17Cl2
Bi24O31Cl10
Bi(OH)3
BiOH(+2a)
Bi(OH)2Br(g)
Bi(OH)2Cl(g)
Bi(OH)2I(g)
BiOI
Bi4O5I2
Bi5O7I
Bi7O9I3
Bi2O2Se
Bi4O4SeCl2
Bi10O12SeCl4
Bi22O28SeCl8
Bi2O3*SeO2
Bi2O3*3SeO2
Bi2O3*4SeO2
*5Bi2O3*2SeO2
*6Bi2O3*SeO2
*8Bi2O3*5SeO2
Bi2O2T e
Bi2O3*T eO2
Bi2O3*2T eO2
Bi2O3*4T eO2
*5Bi2O3*2T eO2
*6Bi2O3*T eO2
*8Bi2O3*5T eO2
Bi2P rO4Br
Bi2P rO4Cl
Bi2P rO4I
BiS(g)
(BiS)2(g)
Bi2S3
Bi2S3(g)
Bi(SCN)3(ia)
Bi2(SO4)3
BiSe
BiSe(g)
Bi2Se
Bi2Se3
Bi(SeCN)3(ia)
BiSeCl
Bi8Se9Cl6
BiSeI
Bi2(SiF6)3(ia)
Bi2SmO4Br
Bi2SmO4Cl
Bi2SmO4I
Bi2T bO4Br
Bi2T bO4Cl
Bi2T bO4I
BiT e
BiT e(g)
BiT e1.22
BiT e1.33
Bi2T e
Bi2T e3
BiT eBr
BiT eCl
BiT l4
Bi3T l2
Bi2T mO4Br
Bi2T mO4Cl
Bi2T mO4I
BiU
Bi2U
Bi4U3
Bi2YO4Br
Bi2YO4Cl
Bi2YO4I
Bi2YbO4Br
Bi2YbO4Cl
Bi2YbO4I
Bk
Bk(+3ia)
Bk(+g)
BkBr3(ia)
BkCH3COO(+2a)
Bk2(C2O4)3(ia)
BkCl3(ia)
Bk(ClO4)3(ia)
BkF3(ia)
BkI3(ia)
Bk(NO3)3(ia)
Bk(OH)3(ia)
BkSCN(+2a)
Bk2(SO4)3(ia)
Br
Br(g)
Br2
Br2(l)
Br2(g)
Br2(a)
Br3(a)
Br(+g)
Br(-g)
Br(-a)
Br2(+2g)
Br2(+g)
Br3(-a)
Br5(-a)
BrBrO(g)
Br(CF2)7CF3
Br(CF2)7CF3(g)
BrCN(g)
BrCl(g)
Br2Cl(a)
Br2Cl(-a)
BrD(g)
BrF(g)
BrF3
BrF3(l)
BrF3(g)
BrF5(l)
BrF5(g)
BrI2(-a)
BrO(g)
BrO(a)
BrO3(g)
BrO(-a)
BrO3(-a)
BrO4(-a)
BrOBr(g)
BrOO(g)
Br4Pa
C
C(g)
C(A)
C(D)
C2(g)
C3(g)
C4(g)
C5(g)
C60
C60(g)
C(+g)
C(-g)
C2(+g)
C2(-g)
CBr(g)
CBr2(g)
CBr3(g)
CBr4
CBr4(g)
CBr4(T BMg)
C2Br6(g)
C6Br6(HBBg)
CBrCl3(g)
CBr2Cl2(DBDCMg)
CBr3Cl(T BCMg)
CBrCl2D(g)
CBrClF2(g)
CBrCl2F(g)
CBrCl2F(BDCFMg)
CBr2ClF(g)
CBr2ClF(DBCFMg)
CBrClI2(BCDIMg)
CBr2ClI(DBCIMg)
CBrF3(g)
CBr2F2(g)
CBr3F(T BFMg)
C2BrF3(BFEg)
C2Br2F4(12DBEg)
C6BrF5(l)
CBrI3(g)
CBrI3(BT IMg)
CBr2I2(g)
CBr3I(g)
CBr3I(T BIMg)
C2CF(g)
CCN(g)
CCl(g)
CCl2(g)
CCl3(g)
CCl4(l)
CCl4(g)
C2Cl(g)
C2Cl2(g)
C2Cl3(g)
C2Cl4
C2Cl4(g)
C2Cl4(Bl)
C2Cl5(g)
C2Cl6
C2Cl6(g)
C4Cl6(13HCBg)
C5Cl6(HCDg)
C6Cl6
C6Cl6(l)
C6Cl6(g)
C12Cl10(DCBPg)
CCl2BrI(g)
CClF3(g)
CClF3(0.01bar)
CClF3(0.01barg)
CClF3(0.05bar)
CClF3(0.05barg)
CClF3(0.1bar)
CClF3(0.1barg)
CClF3(0.5bar)
CClF3(0.5barg)
CClF3(100bar)
CClF3(10bar)
CClF3(10barg)
CClF3(150bar)
CClF3(1bar)
CClF3(1barg)
CClF3(200bar)
CClF3(20bar)
CClF3(20barg)
CClF3(300bar)
CClF3(30bar)
CClF3(30barg)
CClF3(350bar)
CClF3(35bar)
CClF3(35barg)
CClF3(45bar)
CClF3(50bar)
CClF3(5bar)
CClF3(5barg)
CClF3(60bar)
CClF3(70bar)
CClF3(80bar)
CClF3(90bar)
CCl2F2(g)
CCl2F2(0.01bar)
CCl2F2(0.01barg)
CCl2F2(0.05bar)
CCl2F2(0.05barg)
CCl2F2(0.1bar)
CCl2F2(0.1barg)
CCl2F2(0.5bar)
CCl2F2(0.5barg)
CCl2F2(1000bar)
CCl2F2(100bar)
CCl2F2(10bar)
CCl2F2(10barg)
CCl2F2(150bar)
CCl2F2(1bar)
CCl2F2(1barg)
CCl2F2(2000bar)
CCl2F2(200bar)
CCl2F2(20bar)
CCl2F2(20barg)
CCl2F2(300bar)
CCl2F2(30bar)
CCl2F2(30barg)
CCl2F2(35bar)
CCl2F2(35barg)
CCl2F2(400bar)
CCl2F2(500bar)
CCl2F2(50bar)
CCl2F2(5bar)
CCl2F2(5barg)
CCl2F2(600bar)
CCl2F2(60bar)
CCl2F2(700bar)
CCl2F2(70bar)
CCl2F2(800bar)
CCl2F2(80bar)
CCl2F2(900bar)
CCl2F2(90bar)
CCl3F(l)
CCl3F(g)
CCl3F(0.01bar)
CCl3F(0.01barg)
CCl3F(0.05bar)
CCl3F(0.05barg)
CCl3F(0.1bar)
CCl3F(0.1barg)
CCl3F(0.5bar)
CCl3F(0.5barg)
CCl3F(100bar)
CCl3F(10bar)
CCl3F(10barg)
CCl3F(150bar)
CCl3F(1bar)
CCl3F(1barg)
CCl3F(200bar)
CCl3F(20bar)
CCl3F(20barg)
CCl3F(300bar)
CCl3F(30bar)
CCl3F(30barg)
CCl3F(40bar)
CCl3F(40barg)
CCl3F(50bar)
CCl3F(5bar)
CCl3F(5barg)
CCl3F(60bar)
CCl3F(70bar)
CCl3F(80bar)
CCl3F(90bar)
C2ClF3(g)
C2ClF5(0.01barg)
C2ClF5(0.05bar)
C2ClF5(0.05barg)
C2ClF5(0.1bar)
C2ClF5(0.1barg)
C2ClF5(0.5bar)
C2ClF5(0.5barg)
C2ClF5(100bar)
C2ClF5(10bar)
C2ClF5(10barg)
C2ClF5(150bar)
C2ClF5(1bar)
C2ClF5(1barg)
C2ClF5(200bar)
C2ClF5(20bar)
C2ClF5(20barg)
C2ClF5(25bar)
C2ClF5(25barg)
C2ClF5(300bar)
C2ClF5(400bar)
C2ClF5(40bar)
C2ClF5(500bar)
C2ClF5(50bar)
C2ClF5(5bar)
C2ClF5(5barg)
C2ClF5(600bar)
C2ClF5(60bar)
C2ClF5(70bar)
C2ClF5(80bar)
C2ClF5(90bar)
C2ClF5(CFEg)
C2Cl2F4(l)
C2Cl2F4(0.01barg)
C2Cl2F4(0.05barg)
C2Cl2F4(0.1barg)
C2Cl2F4(0.5barg)
C2Cl2F4(100bar)
C2Cl2F4(10bar)
C2Cl2F4(10barg)
C2Cl2F4(11T C1222T FEg)
C2Cl2F4(12DCFg)
C2Cl2F4(150bar)
C2Cl2F4(1bar)
C2Cl2F4(1barg)
C2Cl2F4(200bar)
C2Cl2F4(20bar)
C2Cl2F4(20barg)
C2Cl2F4(210bar)
C2Cl2F4(30bar)
C2Cl2F4(30barg)
C2Cl2F4(40bar)
C2Cl2F4(50bar)
C2Cl2F4(5bar)
C2Cl2F4(5barg)
C2Cl2F4(60bar)
C2Cl2F4(70bar)
C2Cl2F4(80bar)
C2Cl2F4(90bar)
C2Cl3F3(l)
C2Cl3F3(0.01barg)
C2Cl3F3(0.05bar)
C2Cl3F3(0.05barg)
C2Cl3F3(0.1bar)
C2Cl3F3(0.1barg)
C2Cl3F3(0.5bar)
C2Cl3F3(0.5barg)
C2Cl3F3(1000bar)
C2Cl3F3(100bar)
C2Cl3F3(10bar)
C2Cl3F3(10barg)
C2Cl3F3(111T C222T FEg)
C2Cl3F3(112T CFg)
C2Cl3F3(150bar)
C2Cl3F3(1bar)
C2Cl3F3(1barg)
C2Cl3F3(2000bar)
C2Cl3F3(200bar)
C2Cl3F3(20bar)
C2Cl3F3(20barg)
C2Cl3F3(300bar)
C2Cl3F3(30bar)
C2Cl3F3(30barg)
C2Cl3F3(400bar)
C2Cl3F3(40bar)
C2Cl3F3(500bar)
C2Cl3F3(50bar)
C2Cl3F3(5bar)
C2Cl3F3(5barg)
C2Cl3F3(600bar)
C2Cl3F3(60bar)
C2Cl3F3(700bar)
C2Cl3F3(70bar)
C2Cl3F3(800bar)
C2Cl3F3(80bar)
C2Cl3F3(900bar)
C2Cl3F3(90bar)
C2Cl4F2(l)
C2Cl4F2(1112T ECg)
C2Cl4F2(1122T CEg)
C2Cl5F(PCFEg)
C6ClF5(l)
C6ClF5(CP FBg)
C6Cl3F3(l)
CClI3(g)
CClI3(CT IMg)
CCl2I2(g)
CCl3I(g)
C2Cl4O(T CCg)
C12Cl8O2(OCDB14DOg)
CD(g)
CD3(g)
CD4(g)
C2D2(g)
C2D4(g)
C2D6(g)
C4D6(13BDg)
C10D4
C10D8(ODNg)
C14D10(DDAg)
CDBr3(g)
CD2Br2(g)
CD3Br(g)
CDCl3(g)
CD2Cl2(g)
CD3Cl(g)
CDCl2Br(g)
CD2ClBr(g)
CDF3(g)
CD2F2(g)
CD3F(g)
CDFCl2(g)
CDF2Cl(g)
CDFO(g)
CD(H3)3(T g)
CD2(H3)2(T g)
CD3(H3)(T g)
CD3I(g)
CD2N2(g)
C5D5N(PYRDg)
CD3N2CD3(g)
CD3ND2(g)
CD2NO2(g)
CD3NO2(T DNMg)
CD2O(DDMALg)
CD4O(T DDMg)
C2D2O(DDKNg)
C2D2O2(DDEDALl)
C2D2O2(DDEDALg)
C2D4O(T DEALl)
C2D4O(T DEALg)
C2D4O(T DOXIg)
C2D6O(HDDMEg)
C4D4O(FURDg)
C4D4S(T HIDg)
CF(g)
CF2(g)
CF3(g)
CF4(g)
CF4(a)
CF4(0.01bar)
CF4(0.01barg)
CF4(0.05bar)
CF4(0.05barg)
CF4(0.1bar)
CF4(0.1barg)
CF4(0.5bar)
CF4(0.5barg)
CF4(100bar)
CF4(10bar)
CF4(10barg)
CF4(150bar)
CF4(1bar)
CF4(1barg)
CF4(200bar)
CF4(20bar)
CF4(20barg)
CF4(300bar)
CF4(30barg)
CF4(400bar)
CF4(45bar)
CF4(500bar)
CF4(50bar)
CF4(5bar)
CF4(5barg)
CF4(60bar)
CF4(70bar)
CF4(80bar)
CF4(90bar)
C2F(g)
C2F2(g)
C2F3(g)
C2F4(g)
C2F5(g)
C2F6(g)
C2F6(0.01barg)
C2F6(0.05barg)
C2F6(0.1barg)
C2F6(0.5bar)
C2F6(0.5barg)
C2F6(100bar)
C2F6(10bar)
C2F6(10barg)
C2F6(150bar)
C2F6(1bar)
C2F6(1barg)
C2F6(200bar)
C2F6(20bar)
C2F6(20barg)
C2F6(25bar)
C2F6(25barg)
C2F6(300bar)
C2F6(400bar)
C2F6(40bar)
C2F6(500bar)
C2F6(50bar)
C2F6(5bar)
C2F6(5barg)
C2F6(60bar)
C2F6(70bar)
C2F6(80bar)
C2F6(90bar)
C3F7(HFPg)
C4F8(0.01barg)
C4F8(0.05barg)
C4F8(0.1barg)
C4F8(0.5bar)
C4F8(0.5barg)
C4F8(100bar)
C4F8(10bar)
C4F8(10barg)
C4F8(150bar)
C4F8(1bar)
C4F8(1barg)
C4F8(200bar)
C4F8(20bar)
C4F8(20barg)
C4F8(25bar)
C4F8(25barg)
C4F8(300bar)
C4F8(35bar)
C4F8(400bar)
C4F8(40bar)
C4F8(500bar)
C4F8(50bar)
C4F8(5bar)
C4F8(5barg)
C4F8(600bar)
C4F8(60bar)
C4F8(70bar)
C4F8(80bar)
C4F8(90bar)
C4F8(OFBg)
C4F8(OFCg)
C4F10(DFBg)
C6F6(l)
C6F6(g)
C7F8(PFT FMBg)
C12F10
CF(+g)
CF2(+g)
CF3(+g)
CFBr3(g)
CFBrI2(g)
CFBrI2(BFDIMg)
CFBr2I(g)
CF2BrI(g)
CF2CDF(g)
CF2CHF2(g)
CF3CN(g)
CFCl(g)
CFCl2(g)
CF2Cl(g)
C2FCl(g)
C2FCl3(g)
C2F2Cl2(11DFDg)
C2F2Cl2(CDFg)
C2F2Cl2(DFDg)
C2F2Cl2(T DFg)
CFClBrI(g)
CFClI2(g)
CFCl2I(g)
CF2ClI(g)
CFI3(g)
CF2I2(g)
C5F11N(PFP l)
C3F6O(HFAg)
CF3OF(g)
CF3SF5(g)
CH(g)
CH2(g)
CH3(g)
C(H3)(T g)
CH4(g)
CH4(a)
CH4(0.01barg)
CH4(0.05barg)
CH4(0.1barg)
CH4(0.5bar)
CH4(0.5barg)
CH4(10000bar)
CH4(1000bar)
CH4(100bar)
CH4(10bar)
CH4(10barg)
CH4(1500bar)
CH4(1bar)
CH4(1barg)
CH4(2000bar)
CH4(200bar)
CH4(20bar)
CH4(20barg)
CH4(3000bar)
CH4(300bar)
CH4(30bar)
CH4(30barg)
CH4(4000bar)
CH4(400bar)
CH4(40barg)
CH4(5000bar)
CH4(500bar)
CH4(50bar)
CH4(5bar)
CH4(5barg)
CH4(6000bar)
CH4(600bar)
CH4(60bar)
CH4(7000bar)
CH4(700bar)
CH4(70bar)
CH4(8000bar)
CH4(800bar)
CH4(80bar)
CH4(9000bar)
CH4(900bar)
CH4(90bar)
C(H3)4(T g)
C2H(g)
C2H2(g)
C2H2(a)
C2H3(g)
C2H4(g)
C2H4(a)
C2H5(g)
C2H6(g)
C2H6(a)
C2H6(0.01bar)
C2H6(0.01barg)
C2H6(0.05bar)
C2H6(0.05barg)
C2H6(0.1bar)
C2H6(0.1barg)
C2H6(0.5bar)
C2H6(0.5barg)
C2H6(100bar)
C2H6(10bar)
C2H6(10barg)
C2H6(1bar)
C2H6(1barg)
C2H6(200bar)
C2H6(20bar)
C2H6(20barg)
C2H6(300bar)
C2H6(30bar)
C2H6(30barg)
C2H6(400bar)
C2H6(40bar)
C2H6(40barg)
C2H6(500bar)
C2H6(50bar)
C2H6(5bar)
C2H6(5barg)
C2H6(600bar)
C2H6(60bar)
C2H6(700bar)
C2H6(70bar)
C2H6(80bar)
C2H6(90bar)
C3H4(a)
C3H4(ALEg)
C3H4(CP g)
C3H4(PP Yg)
C3H6(0.01bar)
C3H6(0.01barg)
C3H6(0.05bar)
C3H6(0.05barg)
C3H6(0.1bar)
C3H6(0.1barg)
C3H6(0.5bar)
C3H6(0.5barg)
C3H6(1000bar)
C3H6(100bar)
C3H6(10bar)
C3H6(10barg)
C3H6(1900bar)
C3H6(1PEa)
C3H6(1bar)
C3H6(1barg)
C3H6(200bar)
C3H6(20bar)
C3H6(20barg)
C3H6(300bar)
C3H6(30bar)
C3H6(30barg)
C3H6(400bar)
C3H6(40bar)
C3H6(40barg)
C3H6(500bar)
C3H6(50bar)
C3H6(5bar)
C3H6(5barg)
C3H6(600bar)
C3H6(60bar)
C3H6(700bar)
C3H6(70bar)
C3H6(800bar)
C3H6(80bar)
C3H6(900bar)
C3H6(90bar)
C3H6(CP Aa)
C3H6(CP Ag)
C3H6(PP E)
C3H6(PP Yg)
C3H7(1MEg)
C3H7(Pg)
C3H8(a)
C3H8(0.01bar)
C3H8(0.01barg)
C3H8(0.05bar)
C3H8(0.05barg)
C3H8(0.1bar)
C3H8(0.1barg)
C3H8(0.5bar)
C3H8(0.5barg)
C3H8(1000bar)
C3H8(100bar)
C3H8(10bar)
C3H8(10barg)
C3H8(1bar)
C3H8(1barg)
C3H8(200bar)
C3H8(20bar)
C3H8(20barg)
C3H8(300bar)
C3H8(30bar)
C3H8(30barg)
C3H8(35bar)
C3H8(35barg)
C3H8(400bar)
C3H8(40bar)
C3H8(40barg)
C3H8(500bar)
C3H8(50bar)
C3H8(5bar)
C3H8(5barg)
C3H8(600bar)
C3H8(60bar)
C3H8(700bar)
C3H8(70bar)
C3H8(800bar)
C3H8(80bar)
C3H8(900bar)
C3H8(90bar)
C3H8(PP Eg)
C4H2(BDYg)
C4H4(13CBg)
C4H4(1B3Yg)
C4H6(12Bg)
C4H6(13Bg)
C4H6(13Ba)
C4H6(13Bl)
C4H6(13Bg)
C4H6(1BT a)
C4H6(1BYg)
C4H6(1MCP g)
C4H6(2BT l)
C4H6(2BYg)
C4H6(CBl)
C4H6(CBg)
C4H6(MCP g)
C4H8(a)
C4H8(1BT g)
C4H8(1BT a)
C4H8(2MPg)
C4H8(C2Bg)
C4H8(CBAg)
C4H8(MCP g)
C4H8(T 2Bg)
C4H9(11DMEg)
C4H9(2MPg)
C4H9(Bg)
C4H10(a)
C4H10(0.01bar)
C4H10(0.01barg)
C4H10(0.05bar)
C4H10(0.05barg)
C4H10(0.1bar)
C4H10(0.1barg)
C4H10(0.5bar)
C4H10(0.5barg)
C4H10(100bar)
C4H10(10bar)
C4H10(10barg)
C4H10(1bar)
C4H10(1barg)
C4H10(200bar)
C4H10(20bar)
C4H10(20barg)
C4H10(2MPg)
C4H10(2MPa)
C4H10(2MP0.01bar)
C4H10(2MP0.01barg)
C4H10(2MP0.05bar)
C4H10(2MP0.05barg)
C4H10(2MP0.1bar)
C4H10(2MP0.1barg)
C4H10(2MP0.5bar)
C4H10(2MP0.5barg)
C4H10(2MP100bar)
C4H10(2MP10bar)
C4H10(2MP10barg)
C4H10(2MP150bar)
C4H10(2MP1bar)
C4H10(2MP1barg)
C4H10(2MP200bar)
C4H10(2MP20bar)
C4H10(2MP20barg)
C4H10(2MP250bar)
C4H10(2MP300bar)
C4H10(2MP30bar)
C4H10(2MP30barg)
C4H10(2MP350bar)
C4H10(2MP40bar)
C4H10(2MP50bar)
C4H10(2MP5bar)
C4H10(2MP5barg)
C4H10(2MP60bar)
C4H10(2MP70bar)
C4H10(2MP80bar)
C4H10(2MP90bar)
C4H10(300bar)
C4H10(30bar)
C4H10(30barg)
C4H10(400bar)
C4H10(40bar)
C4H10(500bar)
C4H10(50bar)
C4H10(5bar)
C4H10(5barg)
C4H10(600bar)
C4H10(60bar)
C4H10(690bar)
C4H10(70bar)
C4H10(80bar)
C4H10(90bar)
C4H10(Bl)
C4H10(NBAg)
C5H6(13CP a)
C5H6(13CP l)
C5H6(13CP g)
C5H6(13PNYg)
C5H6(14PNYg)
C5H6(213MBYg)
C5H8(a)
C5H8(12Pl)
C5H8(12Pg)
C5H8(14Pg)
C5H8(14Pa)
C5H8(14Pl)
C5H8(14Pg)
C5H8(1PYg)
C5H8(1PYl)
C5H8(1PYa)
C5H8(1PYg)
C5H8(23Pl)
C5H8(23Pg)
C5H8(2M13Bg)
C5H8(2M13Bl)
C5H8(2M13Bg)
C5H8(2PYl)
C5H8(2PYg)
C5H8(31MBYg)
C5H8(3M12Bl)
C5H8(3M12Bg)
C5H8(3M1Bl)
C5H8(C13P l)
C5H8(C13P g)
C5H8(CP Eg)
C5H8(CP Ea)
C5H8(CP l)
C5H8(CP Eg)
C5H8(MCBl)
C5H8(MCBg)
C5H8(SP Al)
C5H8(SP Eg)
C5H8(T 13Pl)
C5H8(t13PDEg)
C5H10(11DMCP g)
C5H10(12DMCP cg)
C5H10(12DMCP tg)
C5H10(1PEg)
C5H10(1PEl)
C5H10(1PEg)
C5H10(1PEa)
C5H10(2M1Bl)
C5H10(2M1Bg)
C5H10(2M2Ba)
C5H10(2M2Bl)
C5H10(2M2Bg)
C5H10(2PEl)
C5H10(2PEg)
C5H10(2PEa)
C5H10(3M1Bg)
C5H10(3M1Ba)
C5H10(3M1Bl)
C5H10(3M1Bg)
C5H10(C2P l)
C5H10(C2P g)
C5H10(CP Ag)
C5H10(CP Aa)
C5H10(CP l)
C5H10(CP Ag)
C5H10(MCBl)
C5H10(T 2Pl)
C5H10(T 2Pg)
C5H11(22DMPg)
C5H12(22Dg)
C5H12(22Da)
C5H12(22Dl)
C5H12(22Dg)
C5H12(2MBl)
C5H12(2MBg)
C5H12(2MBa)
C5H12(NPAl)
C5H12(NPAa)
C5H12(PENg)
C6H2(135HT g)
C6H5(g)
C6H6(a)
C6H6(BZE)
C6H6(BZEl)
C6H6(BZEg)
C6H8(13CHl)
C6H8(13CHg)
C6H8(14CHl)
C6H8(14CHa)
C6H8(14CHg)
C6H8(E135Hg)
C6H8(EQ135Hg)
C6H8(MECYg)
C6H8(Z135Hg)
C6H10(14HEXg)
C6H10(15HEXg)
C6H10(15HEXl)
C6H10(15HEXa)
C6H10(1HEg)
C6H10(1HEl)
C6H10(1HEg)
C6H10(1HEa)
C6H10(1MCl)
C6H10(1MCP l)
C6H10(1MCP g)
C6H10(23DMBl)
C6H10(23DMBg)
C6H10(24HXDg)
C6H10(24T HDg)
C6H10(2Hl)
C6H10(2Hg)
C6H10(33DM1Bl)
C6H10(33DM1Bg)
C6H10(3Hl)
C6H10(3Hg)
C6H10(3Ha)
C6H10(3M1Pl)
C6H10(3MCP l)
C6H10(3MCP g)
C6H10(3RSM1Pg)
C6H10(4M1Pl)
C6H10(4M1Pg)
C6H10(4M2Pl)
C6H10(4M2Pg)
C6H10(4MCP l)
C6H10(4MCP g)
C6H10(CHEl)
C6H10(CHEa)
C6H10(CHEg)
C6H10(MCP l)
C6H10(MCP g)
C6H12(1HEg)
C6H12(1HEl)
C6H12(1HEg)
C6H12(1HEa)
C6H12(23D1Bl)
C6H12(23D1Bg)
C6H12(23D2Bl)
C6H12(23D2Bg)
C6H12(23DM2Bl)
C6H12(2E1Bl)
C6H12(2E1Bg)
C6H12(2M1Pa)
C6H12(2M1Pl)
C6H12(2M1Pg)
C6H12(2M2Pl)
C6H12(2M2Pg)
C6H12(31MEP g)
C6H12(32MPCg)
C6H12(32MT Pg)
C6H12(33D1Bg)
C6H12(33D1Bl)
C6H12(3M1Pl)
C6H12(3T HXg)
C6H12(4M1Pg)
C6H12(4M1Pa)
C6H12(4M1Pl)
C6H12(4M1Pg)
C6H12(C2Hl)
C6H12(C2Hg)
C6H12(C3Hl)
C6H12(C3Hg)
C6H12(C3M2P l)
C6H12(C3M2P g)
C6H12(C4M2P l)
C6H12(C4M2P g)
C6H12(CHA)
C6H12(CHAg)
C6H12(CHAa)
C6H12(CHAl)
C6H12(CHAg)
C6H12(ECBl)
C6H12(MCP )
C6H12(MCP a)
C6H12(MCP l)
C6H12(MCP g)
C6H12(T 2Hl)
C6H12(T 2Hg)
C6H12(T 3Hl)
C6H12(T 3M2Pl)
C6H12(T 4M2Pl)
C6H12(T 4M2Pg)
C6H14(22DMBl)
C6H14(22DMBg)
C6H14(22DMBa)
C6H14(23DMBl)
C6H14(23DMBg)
C6H14(23DMBa)
C6H14(2MPl)
C6H14(2MPa)
C6H14(2MPg)
C6H14(3MPl)
C6H14(3MPg)
C6H14(3MPa)
C6H14(HXAl)
C6H14(HXAg)
C6H14(NHEa)
C6H40(PO14P H)
C7H7(PMg)
C7H8(135Ca)
C7H8(135Cl)
C7H8(135Cg)
C7H8(16Hl)
C7H8(16Hg)
C7H8(16Ha)
C7H8(BC221H25Dg)
C7H8(T LUa)
C7H8(T LUl)
C7H8(T LUg)
C7H10(13CHg)
C7H10(2NOBg)
C7H12(a)
C7H12(12DMCP l)
C7H12(12DMCP g)
C7H12(13DMCP l)
C7H12(13DMCP g)
C7H12(14DMCP l)
C7H12(14DMCP g)
C7H12(15DMCP l)
C7H12(15DMCP g)
C7H12(16Hl)
C7H12(16Hg)
C7H12(16Ha)
C7H12(1ECl)
C7H12(1Hg)
C7H12(1Hl)
C7H12(1Hg)
C7H12(1MCg)
C7H12(1MCa)
C7H12(1MCl)
C7H12(2Hl)
C7H12(2Hg)
C7H12(2Ha)
C7H12(2M3Hl)
C7H12(2M3Hg)
C7H12(2M3Ha)
C7H12(33DM1Pl)
C7H12(33DM1Pg)
C7H12(33DMCP l)
C7H12(33DMCP g)
C7H12(34DM1Pl)
C7H12(34ccDMCP g)
C7H12(34ttDMCP g)
C7H12(35ccDMCP g)
C7H12(35ttDMCP g)
C7H12(3E1P l)
C7H12(3E1P g)
C7H12(3Hl)
C7H12(3Hg)
C7H12(3M1Hl)
C7H12(3RS4DM1Pg)
C7H12(3RSM1Hg)
C7H12(44DM1Pl)
C7H12(44DM1Pg)
C7H12(44DM2Pl)
C7H12(44DM2Pg)
C7H12(4M1Hl)
C7H12(4M2Hl)
C7H12(4RSM1Hg)
C7H12(4RSM2Hg)
C7H12(5M1Hl)
C7H12(5M1Hg)
C7H12(5M2Hl)
C7H12(5M2Hg)
C7H12(BC221Hg)
C7H12(CHa)
C7H12(CHl)
C7H12(CYP g)
C7H12(ECPl)
C7H12(EDCl)
C7H12(MCHl)
C7H14(11DMCP )
C7H14(11DMCP l)
C7H14(11DMCP g)
C7H14(12DMCP cl)
C7H14(12DMCP tl)
C7H14(13DMCP cl)
C7H14(13DMCP tl)
C7H14(13DMClg)
C7H14(13T DCg)
C7H14(1HEg)
C7H14(1HEl)
C7H14(1HEg)
C7H14(1HEa)
C7H14(21ET P g)
C7H14(21MEXg)
C7H14(233T 1Bl)
C7H14(233T 1Bg)
C7H14(23DM2Pg)
C7H14(23RSDM1Pg)
C7H14(24D1Pl)
C7H14(24D2Pl)
C7H14(24DM1Pg)
C7H14(24DM2Pg)
C7H14(2E3M1P g)
C7H14(2Hl)
C7H14(2Hg)
C7H14(2Ha)
C7H14(2M2Hg)
C7H14(2T HPg)
C7H14(31ET P g)
C7H14(31MEXg)
C7H14(33DM1Pg)
C7H14(3E2P g)
C7H14(3Htl)
C7H14(3M2E1Bl)
C7H14(3MC3Hl)
C7H14(3MT 3Hl)
C7H14(3RS4DM1Pg)
C7H14(3T HPg)
C7H14(41MEXg)
C7H14(44DM2Pg)
C7H14(5M1Hg)
C7H14(C12DMCP)
C7H14(C12DMCPl)
C7H14(C12DMCPg)
C7H14(C13DMCPg)
C7H14(C2Hl)
C7H14(C2Hg)
C7H14(C2M3Hg)
C7H14(C34DM2P g)
C7H14(C3Hl)
C7H14(C3Hg)
C7H14(C3M2Hg)
C7H14(C3M3Hg)
C7H14(C44DM2P l)
C7H14(C44DM2P g)
C7H14(C4RSM2Hg)
C7H14(CHAa)
C7H14(CHAl)
C7H14(CHAg)
C7H14(ECP)
C7H14(ECPl)
C7H14(ECPg)
C7H14(MCH)
C7H14(MCHa)
C7H14(MCHl)
C7H14(MCHg)
C7H14(T 12DMCP )
C7H14(T 12DMCP l)
C7H14(T 12DMCP g)
C7H14(T 13DMCP l)
C7H14(T 2Hl)
C7H14(T 2M3Hg)
C7H14(T 34DM2Pg)
C7H14(T 3Hl)
C7H14(T 3M2Hg)
C7H14(T 3M3Hg)
C7H14(T 44DM2Pl)
C7H14(T 44DM2Pg)
C7H14(T 4RSM2Hg)
C7H16(a)
C7H16(223T MBl)
C7H16(223T MBg)
C7H16(22DMPl)
C7H16(22DMPa)
C7H16(22DMPg)
C7H16(23DMPl)
C7H16(23DMPg)
C7H16(23DMPa)
C7H16(24DMPl)
C7H16(24DMPa)
C7H16(24DMPg)
C7H16(2MHl)
C7H16(2MHg)
C7H16(2MHa)
C7H16(33DMPl)
C7H16(33DMPg)
C7H16(33DMPa)
C7H16(3EP l)
C7H16(3EP g)
C7H16(3MHl)
C7H16(3MHg)
C7H16(3MHa)
C7H16(HT Al)
C7H16(HT Ag)
C8H2(1357OT g)
C8H6(EYBg)
C8H8(COT l)
C8H8(COT g)
C8H8(ST Yl)
C8H8(ST Yg)
C8H9(1PEg)
C8H9(23DMPg)
C8H9(24DMPg)
C8H9(25DMPg)
C8H9(2MPMg)
C8H9(2PEg)
C8H9(34DMPg)
C8H9(35DMPg)
C8H9(3MPMg)
C8H9(4EP g)
C8H9(4MPMg)
C8H10(13Dl)
C8H10(14Dl)
C8H10(17Ol)
C8H10(EBZa)
C8H10(EBZl)
C8H10(EBZg)
C8H10(EE1357OT g)
C8H10(MXYg)
C8H10(MXYa)
C8H10(OXYa)
C8H10(OXYl)
C8H10(OXYg)
C8H10(PXYa)
C8H10(PXYg)
C8H10(ZZ1357OT g)
C8H12(13COg)
C8H12(15COl)
C8H12(15COg)
C8H12(CC13COg)
C8H12(CC15COg)
C8H12(s2)
C8H14(a)
C8H14(1ECl)
C8H14(1OCg)
C8H14(1OCl)
C8H14(1OCg)
C8H14(22DM3Hg)
C8H14(22DM3Hl)
C8H14(22DM3Hg)
C8H14(22DM3Ha)
C8H14(25DM3Hg)
C8H14(2M3Hg)
C8H14(2Og)
C8H14(334T M1Pg)
C8H14(33DM1Hg)
C8H14(3E3M1P g)
C8H14(3Og)
C8H14(3RS44T M1Pg)
C8H14(3RS4RSDM1Hg)
C8H14(3RS5DM1Hg)
C8H14(3RSE1Hg)
C8H14(3RSE4M1P g)
C8H14(3RSM1Hg)
C8H14(44DM1Hg)
C8H14(44DM2Hg)
C8H14(4E1Hg)
C8H14(4E2Hg)
C8H14(4Og)
C8H14(4RS5DM1Hg)
C8H14(4RS5DM2Hg)
C8H14(4RSM1Hg)
C8H14(4RSM2Hg)
C8H14(55DM1Hg)
C8H14(55DM2Hg)
C8H14(5RSM1Hg)
C8H14(5RSM2Hg)
C8H14(5RSM3Hg)
C8H14(6M1Hg)
C8H14(6M2Hg)
C8H14(6M3Hg)
C8H14(ACP l)
C8H14(CYEg)
C8H14(E2MBC221Hg)
C8H14(ECHl)
C8H14(EX2MBC221Hg)
C8H14(VCHl)
C8H14(s10)
C8H16(a)
C8H16(112T MCP g)
C8H16(113T MCP l)
C8H16(113T MCP g)
C8H16(113T MCP a)
C8H16(11DMCH)
C8H16(11DMCHl)
C8H16(11DMCHg)
C8H16(13DMCHcl)
C8H16(14DMCHcl)
C8H16(1E1Ml)
C8H16(1E1MCPg)
C8H16(1E2MCPg)
C8H16(1OCg)
C8H16(1OCl)
C8H16(1OCg)
C8H16(233T M1Pg)
C8H16(234T M2Pg)
C8H16(23DM1Hg)
C8H16(23DM2Hg)
C8H16(23RS4T M1Pg)
C8H16(23RSDM1Hg)
C8H16(244T 1Pl)
C8H16(244T 2Pl)
C8H16(244T M1Pg)
C8H16(244T M2Pg)
C8H16(24RSDM1Hg)
C8H16(24RSDM2Hg)
C8H16(25DM1Hg)
C8H16(25DM2Hg)
C8H16(2E1Hg)
C8H16(2E33DM1Bg)
C8H16(2E3RSM1P g)
C8H16(2E4M1P g)
C8H16(2M1Hg)
C8H16(2M2Hg)
C8H16(2M3E1P l)
C8H16(2M3MHg)
C8H16(2P1P g)
C8H16(334T M1Pg)
C8H16(33DM1Hg)
C8H16(3E2M1P g)
C8H16(3E2M2P g)
C8H16(3E3Hg)
C8H16(3E3M1P g)
C8H16(3M2IP4Bg)
C8H16(3RS44T M1Pg)
C8H16(3RS4RSDM1Hg)
C8H16(3RS5DM1Hg)
C8H16(3RSE1Hg)
C8H16(3RSE4M1P g)
C8H16(3RSM1Hg)
C8H16(44DM1Hg)
C8H16(4E1Hg)
C8H16(4RS5DM1Hg)
C8H16(4RSM1Hg)
C8H16(55DM1Hg)
C8H16(5RSM1Hg)
C8H16(6M1Hg)
C8H16(C12DMCH)
C8H16(C12DMCHg)
C8H16(C12DMCHa)
C8H16(C12DMCHl)
C8H16(C12DMCHg)
C8H16(C13Dg)
C8H16(C14Dg)
C8H16(C1E2Ml)
C8H16(C1E3Ml)
C8H16(C1E3MCP g)
C8H16(C22DM3Hl)
C8H16(C22DM3Hg)
C8H16(C23DM3Hg)
C8H16(C25DM3Hl)
C8H16(C25DM3Hg)
C8H16(C2M3Hg)
C8H16(C2Ol)
C8H16(C2Og)
C8H16(C344T M2P g)
C8H16(C34DM3Hg)
C8H16(C34RSDM2Hg)
C8H16(C35DM2Hg)
C8H16(C3E2Hg)
C8H16(C3E4M2Pg)
C8H16(C3M2Hg)
C8H16(C3M3Hg)
C8H16(C3Og)
C8H16(C44DM2Hg)
C8H16(C4E2Hg)
C8H16(C4Og)
C8H16(C4RS5DM2Hg)
C8H16(C4RSM2Hg)
C8H16(C55DM2Hg)
C8H16(C5RSM2Hg)
C8H16(C5RSM3Hg)
C8H16(C6M2Hg)
C8H16(C6M3Hg)
C8H16(CC123T MCP g)
C8H16(CC124T MCP g)
C8H16(COAl)
C8H16(COa)
C8H16(COAa)
C8H16(CT 124T MCPg)
C8H16(CYAg)
C8H16(ECH)
C8H16(ECHl)
C8H16(ECHg)
C8H16(IPCg)
C8H16(PCP)
C8H16(PCPg)
C8H16(PCPa)
C8H16(PCPl)
C8H16(PCPg)
C8H16(T 12Dg)
C8H16(T 12D)
C8H16(T 12Dl)
C8H16(T 13Dl)
C8H16(T 13Dg)
C8H16(T 14Dl)
C8H16(T 14Da)
C8H16(T 14Dg)
C8H16(T 1E2Ml)
C8H16(T 1E3Ml)
C8H16(T 1E3MCPg)
C8H16(T 22DM3Hl)
C8H16(T 22DM3Hg)
C8H16(T 23DM3Hg)
C8H16(T 25DM3Hl)
C8H16(T 25DM3Hg)
C8H16(T 2M3Hg)
C8H16(T 2Ol)
C8H16(T 2Og)
C8H16(T 344T M2Pg)
C8H16(T 34DM2Hg)
C8H16(T 34DM3Hg)
C8H16(T 35DM2Hg)
C8H16(T 3E2Hg)
C8H16(T 3E4M2P g)
C8H16(T 3M2Hg)
C8H16(T 3M3Hg)
C8H16(T 3Og)
C8H16(T 44DM2Hg)
C8H16(T 4E2Hg)
C8H16(T 4Og)
C8H16(T 4RS5DM2Hg)
C8H16(T 4RSM2Hg)
C8H16(T 55DM2Hg)
C8H16(T 5RSM2Hg)
C8H16(T 5RSM3Hg)
C8H16(T 6M2Hg)
C8H16(T 6M3Hg)
C8H16(T T 123T MCP g)
C8H16(T T 124T MCP g)
C8H16(c14DCHg)
C8H18(a)
C8H18(2233T l)
C8H18(2233T MB)
C8H18(2233T MBg)
C8H18(223T l)
C8H18(223T g)
C8H18(224T l)
C8H18(224T g)
C8H18(224T a)
C8H18(22Dl)
C8H18(22Dg)
C8H18(233T l)
C8H18(233T g)
C8H18(234T l)
C8H18(234T g)
C8H18(234T a)
C8H18(23Dl)
C8H18(23Dg)
C8H18(24Dl)
C8H18(24Dg)
C8H18(25Dl)
C8H18(25Dg)
C8H18(2MHl)
C8H18(2MHg)
C8H18(33Dl)
C8H18(33Dg)
C8H18(34Dl)
C8H18(34Dg)
C8H18(3E2Ml)
C8H18(3E2Mg)
C8H18(3E3Ml)
C8H18(3E3Mg)
C8H18(3EHl)
C8H18(3EHg)
C8H18(3MHl)
C8H18(3MHg)
C8H18(3MHa)
C8H18(3RS4RSDMHg)
C8H18(4MHl)
C8H18(4MHg)
C8H18(OCT l)
C8H18(OCT g)
C9H8(INDg)
C9H10(a)
C9H10(1MEBl)
C9H10(C1P Bl)
C9H10(C1P Bg)
C9H10(INDl)
C9H10(INDg)
C9H10(IPBg)
C9H10(MMSl)
C9H10(MMSg)
C9H10(OMSl)
C9H10(OMSg)
C9H10(PMSl)
C9H10(PMSg)
C9H10(T 1PBl)
C9H10(T 1PBg)
C9H12(123T l)
C9H12(123T g)
C9H12(123T a)
C9H12(124T l)
C9H12(124T g)
C9H12(124T a)
C9H12(135T g)
C9H12(135T a)
C9H12(135T l)
C9H12(135T g)
C9H12(18Nl)
C9H12(18Ng)
C9H12(18Na)
C9H12(1E2MBg)
C9H12(1E3MBg)
C9H12(1M2Ea)
C9H12(1M2El)
C9H12(1M3El)
C9H12(1M3Eg)
C9H12(1M4El)
C9H12(1M4Eg)
C9H12(CUMa)
C9H12(CUMg)
C9H12(IPBl)
C9H12(PBZl)
C9H12(PBZg)
C9H12(PBZa)
C9H16(1NOl)
C9H16(1NOg)
C9H16(1NOa)
C9H16(225T 3Hl)
C9H16(225T 3Hg)
C9H16(225T 3Ha)
C9H16(ACHl)
C9H16(CHHl)
C9H16(CHHI)
C9H16(CHHIl)
C9H16(T HHl)
C9H16(T HHI)
C9H16(T HHIl)
C9H18(1122T MCP g)
C9H18(112T MCHg)
C9H18(1133T MCP g)
C9H18(113T MCHl)
C9H18(113T MCHg)
C9H18(113T MCHa)
C9H18(11DECPg)
C9H18(135T MCg)
C9H18(135T MCHccl)
C9H18(135T MCHctl)
C9H18(1DMECPg)
C9H18(1E1MCHg)
C9H18(1E33DMCPg)
C9H18(1MPCPg)
C9H18(1NOg)
C9H18(1NOa)
C9H18(1NOl)
C9H18(1NOg)
C9H18(1P1MCPg)
C9H18(BCP)
C9H18(BCPl)
C9H18(C12DECP g)
C9H18(C13DECP g)
C9H18(C1E12DMCP g)
C9H18(C1E2MCHg)
C9H18(C1E3MCHg)
C9H18(C1E4MCHg)
C9H18(C1IP 2MCP g)
C9H18(C1IP 3MCP g)
C9H18(C1P 2MCP g)
C9H18(C1P 3MCP g)
C9H18(CC123T MCHg)
C9H18(CC124T MCHg)
C9H18(CC1E15DMCPg)
C9H18(CC1E23DMCPg)
C9H18(CC1E24DMCPg)
C9H18(CC1E34DMCPg)
C9H18(CCC1234T MCPg)
C9H18(CT 124T MCHg)
C9H18(CT 1E15DMCP g)
C9H18(CT T 1234T MCPg)
C9H18(E22DMCPg)
C9H18(IBCPg)
C9H18(IPCHg)
C9H18(NBP g)
C9H18(PCH)
C9H18(PCHl)
C9H18(PCHg)
C9H18(T 12DECPg)
C9H18(T 13DECPg)
C9H18(T 1E12DMCPg)
C9H18(T 1E2MCHg)
C9H18(T 1E3MCHg)
C9H18(T 1E4MCHg)
C9H18(T 1IP2MCPg)
C9H18(T 1IP3MCPg)
C9H18(T 1P2MCPg)
C9H18(T 1P3MCPg)
C9H18(T C123T MCHg)
C9H18(T C124T MCHg)
C9H18(T C1E23DMCP g)
C9H18(T CC1234T MCP g)
C9H18(T CT 1234T MCPg)
C9H18(T T 123T MCHg)
C9H18(T T 124T MCHg)
C9H18(T T 1E15DMCPg)
C9H18(T T C1234T MCPg)
C9H18(T T T 1234T MCP g)
C9H18(cc135T MCg)
C9H20(2233T MPl)
C9H20(2233T MPg)
C9H20(2234T MPl)
C9H20(2234T MPg)
C9H20(223T MHl)
C9H20(223T MHg)
C9H20(2244T MPl)
C9H20(2244T MPg)
C9H20(224T MHl)
C9H20(224T MHg)
C9H20(225T MHg)
C9H20(225T MHa)
C9H20(225T MHl)
C9H20(225T MHg)
C9H20(22DMHl)
C9H20(22DMHg)
C9H20(2334T MPl)
C9H20(2334T MPg)
C9H20(233T MHl)
C9H20(233T MHg)
C9H20(234T MHl)
C9H20(234T MHg)
C9H20(235T MHl)
C9H20(235T MHg)
C9H20(23DMHl)
C9H20(23DMHg)
C9H20(244T MHl)
C9H20(244T MHg)
C9H20(24DMHl)
C9H20(24DMHg)
C9H20(25DMHl)
C9H20(25DMHg)
C9H20(26DMHl)
C9H20(26DMHg)
C9H20(2MOg)
C9H20(2MOa)
C9H20(2MOl)
C9H20(2MOg)
C9H20(334T MHl)
C9H20(334T MHg)
C9H20(33Dl)
C9H20(33DEP l)
C9H20(33DEP g)
C9H20(33DMHl)
C9H20(33DMHg)
C9H20(34DMHl)
C9H20(34DMHg)
C9H20(35DMHl)
C9H20(35DMHg)
C9H20(3E22DMg)
C9H20(3E22DMP l)
C9H20(3E23DMP l)
C9H20(3E23DMP g)
C9H20(3E24DMg)
C9H20(3E24DMP l)
C9H20(3E2MHl)
C9H20(3E2MHg)
C9H20(3E3MHl)
C9H20(3E3MHg)
C9H20(3E4MHl)
C9H20(3E4MHg)
C9H20(3EHl)
C9H20(3EHg)
C9H20(3MOl)
C9H20(3MOg)
C9H20(44DMHl)
C9H20(44DMHg)
C9H20(4E2MHl)
C9H20(4E2MHg)
C9H20(4EHl)
C9H20(4EHg)
C9H20(4MOa)
C9H20(4MOl)
C9H20(4MOg)
C9H20(NONa)
C9H20(NONl)
C9H20(NONg)
C10H2(13579DPg)
C10H6(g)
C10H7(g)
C10H7(4EP 1Vg)
C10H8(AZEg)
C10H8(NPH)
C10H8(NPHl)
C10H8(NPHg)
C10H9(g)
C10H10(12DHNg)
C10H10(14DHNg)
C10H12(1234T HNl)
C10H12(1234T HNg)
C10H14(1234T MBl)
C10H14(1234T MBg)
C10H14(1235T l)
C10H14(1235T g)
C10H14(1245T )
C10H14(1245T g)
C10H14(1245T a)
C10H14(1245T l)
C10H14(1245T g)
C10H14(12DEBl)
C10H14(12DEBg)
C10H14(13DEBl)
C10H14(13DEBg)
C10H14(14DEBl)
C10H14(14DEBg)
C10H14(1E23DMBg)
C10H14(1E24DMBg)
C10H14(1E25DMBg)
C10H14(1E26DMBg)
C10H14(1E34DMBg)
C10H14(1E35DMBg)
C10H14(1IP2MBg)
C10H14(1IP2MBa)
C10H14(1IP3MBg)
C10H14(1IP4MBg)
C10H14(1M2Il)
C10H14(1M2Pl)
C10H14(1M3Ia)
C10H14(1M3Il)
C10H14(1M3Pl)
C10H14(1M4Ia)
C10H14(1M4Il)
C10H14(1M4Pl)
C10H14(1MPa)
C10H14(1MPl)
C10H14(1P2MBg)
C10H14(1P3MBg)
C10H14(1P4MBg)
C10H14(1RSMPBg)
C10H14(2E13Dl)
C10H14(2E14Dl)
C10H14(2MPa)
C10H14(2MPBg)
C10H14(2MPl)
C10H14(2MPBg)
C10H14(3E12Dl)
C10H14(4E12Dl)
C10H14(4E13Dl)
C10H14(5E13Dl)
C10H14(BBZg)
C10H14(BBZa)
C10H14(BBZl)
C10H14(BBZg)
C10H14(T BBg)
C10H14(T BBa)
C10H14(T BBl)
C10H14(T BBg)
C10H16(APHl)
C10H16(APHg)
C10H16(APHa)
C10H16(APIg)
C10H16(APIl)
C10H16(APIa)
C10H16(AT l)
C10H16(AT g)
C10H16(AT a)
C10H16(BMl)
C10H16(BMg)
C10H16(BMa)
C10H16(BP Ig)
C10H16(BP Il)
C10H16(BP Ia)
C10H16(C)
C10H16(Cg)
C10H16(Ca)
C10H16(GT l)
C10H16(GT g)
C10H16(GT a)
C10H16(Ll)
C10H16(La)
C10H16(Sl)
C10H16(Sg)
C10H16(Sa)
C10H16(T l)
C10H16(T g)
C10H16(T a)
C10H16(T C)
C10H16(T Cg)
C10H16(T Ca)
C10H18(1DYl)
C10H18(1DYg)
C10H18(2255T 3Hl)
C10H18(2255T 3Hg)
C10H18(2255T 3Ha)
C10H18(BCPl)
C10H18(CDA)
C10H18(CDAl)
C10H18(CDEl)
C10H18(CDEg)
C10H18(T DA)
C10H18(T DAl)
C10H18(T DEl)
C10H18(T DEg)
C10H20(1122T MCHg)
C10H20(1133T MCHg)
C10H20(1144T MCHg)
C10H20(11D2Al)
C10H20(11DECHg)
C10H20(11DMECHg)
C10H20(1DEl)
C10H20(1DEg)
C10H20(1E22DMCHg)
C10H20(1E33DMCHg)
C10H20(1E44DMCHg)
C10H20(1IP1MCHg)
C10H20(1MPCHg)
C10H20(1P1MCHg)
C10H20(BCH)
C10H20(BCHl)
C10H20(BCHg)
C10H20(C1123T MCHg)
C10H20(C1124T MCHg)
C10H20(C1134T MCHg)
C10H20(C1135T MCHg)
C10H20(C1223T MCHg)
C10H20(C1224T MCHg)
C10H20(C12DECHg)
C10H20(C13DECHg)
C10H20(C1E12DMCHg)
C10H20(C1E13DMCHg)
C10H20(C1E14DMCHg)
C10H20(C1IP 2MCHg)
C10H20(C1IP 3MCHg)
C10H20(C1IP 4MCHg)
C10H20(C1P 2MCHg)
C10H20(C1P 3MCHg)
C10H20(C1P 4MCHg)
C10H20(CC1E23DMCHg)
C10H20(CC1E24DMCHg)
C10H20(CC1E25DMCHg)
C10H20(CC1E26DMCHg)
C10H20(CC1E34DMCHg)
C10H20(CC1E35DMCHg)
C10H20(CCC1234T MCHg)
C10H20(CCT 1234T MCHg)
C10H20(CCT 1235T MCHg)
C10H20(CT 1E23DMCHg)
C10H20(CT C1235T MCHg)
C10H20(CT T 1234T MCHg)
C10H20(IBCHg)
C10H20(PCP)
C10H20(PCPg)
C10H20(PCPa)
C10H20(PCPl)
C10H20(PCPg)
C10H20(T 1123T MCHg)
C10H20(T 12DECHg)
C10H20(T 13DECHg)
C10H20(T 14DECHg)
C10H20(T 1E12DMCHg)
C10H20(T 1E13DMCHg)
C10H20(T 1E14DMCHg)
C10H20(T 1IP2MCHg)
C10H20(T 1IP3MCHg)
C10H20(T 1IP4MCHg)
C10H20(T 1P2MCHg)
C10H20(T 1P3MCHg)
C10H20(T 1P4MCHg)
C10H20(T C1E23DMCHg)
C10H20(T CC1234T MCHg)
C10H20(T CT 1234T MCHg)
C10H20(T T 1E23DMCHg)
C10H20(T T C1234T MCHg)
C10H20(T T T 1235T MCHg)
C10H20(T T T 1245T MCHg)
C10H22(22334PMP l)
C10H22(22334PMP g)
C10H22(2233T MHl)
C10H22(2233T MHg)
C10H22(22344Pl)
C10H22(22344Pg)
C10H22(2234T MHl)
C10H22(2234T MHg)
C10H22(2235T MHl)
C10H22(2235T MHg)
C10H22(223T MHl)
C10H22(223T MHg)
C10H22(2244T MHl)
C10H22(2244T MHg)
C10H22(2245T MHl)
C10H22(2245T MHg)
C10H22(224T MHl)
C10H22(224T MHg)
C10H22(2255T MHl)
C10H22(2255T MHg)
C10H22(225T MHl)
C10H22(225T MHg)
C10H22(226T MHl)
C10H22(226T MHg)
C10H22(22DMOl)
C10H22(22DMOg)
C10H22(2334T MHl)
C10H22(2334T MHg)
C10H22(2335T MHl)
C10H22(2335T MHg)
C10H22(233T MHl)
C10H22(233T MHg)
C10H22(2344T MHl)
C10H22(2344T MHg)
C10H22(2345T MHl)
C10H22(2345T MHg)
C10H22(234T MHl)
C10H22(234T MHg)
C10H22(235T MHl)
C10H22(235T MHg)
C10H22(236T MHl)
C10H22(236T MHg)
C10H22(23DMOl)
C10H22(23DMOg)
C10H22(23RS4RS5T MHg)
C10H22(244T MHl)
C10H22(244T MHg)
C10H22(245T MHl)
C10H22(245T MHg)
C10H22(246T MHl)
C10H22(246T MHg)
C10H22(24DM3Ig)
C10H22(24DMOl)
C10H22(24DMOg)
C10H22(255T MHl)
C10H22(255T MHg)
C10H22(25DMOl)
C10H22(25DMOg)
C10H22(26DMOl)
C10H22(26DMOg)
C10H22(27Dl)
C10H22(27Dg)
C10H22(2MNl)
C10H22(2MNg)
C10H22(3344T MHl)
C10H22(3344T MHg)
C10H22(334T MHl)
C10H22(334T MHg)
C10H22(335T MHl)
C10H22(335T MHg)
C10H22(33DE2Mg)
C10H22(33DE2MP l)
C10H22(33DEHl)
C10H22(33DEHg)
C10H22(33DMOl)
C10H22(33DMOg)
C10H22(344T MHl)
C10H22(344T MHg)
C10H22(345T MHl)
C10H22(345T MHg)
C10H22(34DEHl)
C10H22(34DEHg)
C10H22(34DMOl)
C10H22(34DMOg)
C10H22(35DMOl)
C10H22(35DMOg)
C10H22(36DMOl)
C10H22(36DMOg)
C10H22(3E223T MP l)
C10H22(3E223T MP g)
C10H22(3E224T MP l)
C10H22(3E224T MP g)
C10H22(3E22DMHl)
C10H22(3E22DMHg)
C10H22(3E233T MP g)
C10H22(3E234T MP l)
C10H22(3E234T MP g)
C10H22(3E23DMHl)
C10H22(3E23DMHg)
C10H22(3E24DMHl)
C10H22(3E24DMHg)
C10H22(3E25DMHl)
C10H22(3E25DMHg)
C10H22(3E2MHl)
C10H22(3E2MHg)
C10H22(3E34DMHl)
C10H22(3E34DMHg)
C10H22(3E3MHl)
C10H22(3E3MHg)
C10H22(3E4MHl)
C10H22(3E4MHg)
C10H22(3E5MHl)
C10H22(3E5MHg)
C10H22(3EOl)
C10H22(3EOg)
C10H22(3IP24DMP l)
C10H22(3IP2Mg)
C10H22(3IP2MHl)
C10H22(3MNl)
C10H22(3MNg)
C10H22(3RS45RST MHg)
C10H22(3RS4SRDMOg)
C10H22(44DMOl)
C10H22(44DMOg)
C10H22(45DMOl)
C10H22(45DMOg)
C10H22(4E22DMHl)
C10H22(4E22DMHg)
C10H22(4E23DMHl)
C10H22(4E23DMHg)
C10H22(4E24DMHl)
C10H22(4E24DMHg)
C10H22(4E2MHl)
C10H22(4E2MHg)
C10H22(4E33DMHl)
C10H22(4E33DMHg)
C10H22(4E3MHl)
C10H22(4E3MHg)
C10H22(4E4MHl)
C10H22(4E4MHg)
C10H22(4EOl)
C10H22(4EOg)
C10H22(4IPl)
C10H22(4IPg)
C10H22(4MNl)
C10H22(4MNg)
C10H22(4PHl)
C10H22(4PHg)
C10H22(4SRE3MHg)
C10H22(5E2MHl)
C10H22(5E2MHg)
C10H22(5MNl)
C10H22(5MNg)
C10H22(DECa)
C10H22(DECl)
C10H22(DECg)
C11H9(g)
C11H10(1MNl)
C11H10(1MNg)
C11H10(2MN)
C11H10(2MNl)
C11H10(2MNg)
C11H16(11DMPBl)
C11H16(11DMPBg)
C11H16(11RSMP2MBg)
C11H16(11RSMP3MBg)
C11H16(11RSMP4MBg)
C11H16(12DE3MBl)
C11H16(12DE3MBg)
C11H16(12DE4MBl)
C11H16(12DE4MBg)
C11H16(12DM3PBl)
C11H16(12DM4PBl)
C11H16(12DM4PBg)
C11H16(12DMPBl)
C11H16(13DE2MBl)
C11H16(13DE2MBg)
C11H16(13DE4MBl)
C11H16(13DE4MBg)
C11H16(13DE5MBl)
C11H16(13DE5MBg)
C11H16(13DM2PBl)
C11H16(13DM4PBl)
C11H16(13DM5PBl)
C11H16(14DE2MBl)
C11H16(14DE2MBg)
C11H16(14DM2PBl)
C11H16(1B2MBl)
C11H16(1B2MBg)
C11H16(1B3MBl)
C11H16(1B3MBg)
C11H16(1B4MBl)
C11H16(1B4MBg)
C11H16(1E2345T MBg)
C11H16(1E234T MBl)
C11H16(1E234T MBg)
C11H16(1E235T MBl)
C11H16(1E235T MBg)
C11H16(1E236T MBl)
C11H16(1E236T MBg)
C11H16(1E245T MBl)
C11H16(1E245T MBg)
C11H16(1E246T MBl)
C11H16(1E246T MBg)
C11H16(1E2IP Bl)
C11H16(1E2IP Bg)
C11H16(1E2P Bl)
C11H16(1E2P Bg)
C11H16(1E345T MBl)
C11H16(1E3IP Bl)
C11H16(1E3IP Bg)
C11H16(1E3P Bl)
C11H16(1E3P Bg)
C11H16(1E4IP Bl)
C11H16(1E4IP Bg)
C11H16(1E4P Bl)
C11H16(1E4P Bg)
C11H16(1EP Bl)
C11H16(1EP Bg)
C11H16(1IB2MBl)
C11H16(1IB2MBg)
C11H16(1IB3MBl)
C11H16(1IB3MBg)
C11H16(1IB4MBl)
C11H16(1IB4MBg)
C11H16(1IP23DMBl)
C11H16(1IP23DMBg)
C11H16(1IP24DMBl)
C11H16(1IP24DMBg)
C11H16(1IP25DMBg)
C11H16(1IP26DMBg)
C11H16(1IP35DMBl)
C11H16(1IP35DMBg)
C11H16(1MBBl)
C11H16(1P23DMBg)
C11H16(1P24DMBg)
C11H16(1P25DMBg)
C11H16(1P26DMBg)
C11H16(1RS2DMPBg)
C11H16(1RSMBBg)
C11H16(1SB2MBl)
C11H16(1SB3MBl)
C11H16(1SB4MBl)
C11H16(1T B2MBl)
C11H16(1T B2MBg)
C11H16(1T B3MBl)
C11H16(1T B3MBg)
C11H16(1T B4MBl)
C11H16(1T B4MBg)
C11H16(22DMPBl)
C11H16(2IP13DMBl)
C11H16(2IP14DMBl)
C11H16(2MBBl)
C11H16(2RSMBBg)
C11H16(4IP12DMBl)
C11H16(4IP12DMBg)
C11H16(IPBl)
C11H16(IPBg)
C11H16(NPBg)
C11H16(PBZg)
C11H16(PBZa)
C11H16(PBZl)
C11H16(PMB)
C11H16(PMBl)
C11H16(PMBg)
C11H16(T PBg)
C11H20(1Ul)
C11H20(1Ug)
C11H20(CP Cl)
C11H20(DCP l)
C11H22(1CP Hg)
C11H22(1Ul)
C11H22(1Ug)
C11H22(HCP )
C11H22(HCP l)
C11H22(HCP g)
C11H22(PCH)
C11H22(PCHl)
C11H22(PCHg)
C11H24(223344HMPl)
C11H24(223344HMPg)
C11H24(22334PMHl)
C11H24(22334PMHg)
C11H24(22335PMHl)
C11H24(22335PMHg)
C11H24(2233T MHl)
C11H24(2233T MHg)
C11H24(22344PMHl)
C11H24(22344PMHg)
C11H24(22345PMHl)
C11H24(22345PMHg)
C11H24(2234T MHl)
C11H24(2234T MHg)
C11H24(22355PMHl)
C11H24(22355PMHg)
C11H24(2235T MHl)
C11H24(2235T MHg)
C11H24(2236T MHl)
C11H24(2236T MHg)
C11H24(223T MOl)
C11H24(223T MOg)
C11H24(22445PMHl)
C11H24(22445PMHg)
C11H24(2244T MHl)
C11H24(2244T MHg)
C11H24(2245T MHl)
C11H24(2245T MHg)
C11H24(2246T MHl)
C11H24(2246T MHg)
C11H24(224T MOl)
C11H24(224T MOg)
C11H24(2255T MHl)
C11H24(2255T MHg)
C11H24(2256T MHl)
C11H24(2256T MHg)
C11H24(225T MOl)
C11H24(225T MOg)
C11H24(2266T MHl)
C11H24(2266T MHg)
C11H24(226T MOl)
C11H24(226T MOg)
C11H24(227T MOl)
C11H24(227T MOg)
C11H24(22DMNl)
C11H24(22DMNg)
C11H24(23344PMHl)
C11H24(23344PMHg)
C11H24(23345PMHl)
C11H24(23345PMHg)
C11H24(2334T MHl)
C11H24(2334T MHg)
C11H24(2335T MHl)
C11H24(2335T MHg)
C11H24(2336T MHl)
C11H24(2336T MHg)
C11H24(233T MOl)
C11H24(233T MOg)
C11H24(2344T MHl)
C11H24(2344T MHg)
C11H24(2345T MHl)
C11H24(2345T MHg)
C11H24(2346T MHl)
C11H24(2346T MHg)
C11H24(234T MOl)
C11H24(234T MOg)
C11H24(2355T MHl)
C11H24(2355T MHg)
C11H24(2356T MHl)
C11H24(2356T MHg)
C11H24(235T MOl)
C11H24(235T MOg)
C11H24(236T MOl)
C11H24(236T MOg)
C11H24(237T MOl)
C11H24(237T MOg)
C11H24(23DMNl)
C11H24(23DMNg)
C11H24(2445T MHl)
C11H24(2445T MHg)
C11H24(2446T MHl)
C11H24(2446T MHg)
C11H24(244T MOl)
C11H24(244T MOg)
C11H24(2455T MHl)
C11H24(2455T MHg)
C11H24(245T MOl)
C11H24(245T MOg)
C11H24(246T MOl)
C11H24(246T MOg)
C11H24(247T MOl)
C11H24(247T MOg)
C11H24(24DMNl)
C11H24(24DMNg)
C11H24(255T MOl)
C11H24(255T MOg)
C11H24(256T MOl)
C11H24(256T MOg)
C11H24(25DMNl)
C11H24(25DMNg)
C11H24(266T MOl)
C11H24(266T MOg)
C11H24(26DMNl)
C11H24(26DMNg)
C11H24(27DMNl)
C11H24(27DMNg)
C11H24(28DMNl)
C11H24(28DMNg)
C11H24(2M4PHl)
C11H24(2M4PHg)
C11H24(2MDl)
C11H24(3344T MHl)
C11H24(3344T MHg)
C11H24(3345T MHl)
C11H24(3345T MHg)
C11H24(334T MOl)
C11H24(334T MOg)
C11H24(3355T MHl)
C11H24(3355T MHg)
C11H24(335T MOl)
C11H24(335T MOg)
C11H24(336T MOl)
C11H24(336T MOg)
C11H24(33DE22DMP l)
C11H24(33DE22DMP g)
C11H24(33DE24DMP l)
C11H24(33DE24DMP g)
C11H24(33DE2MHl)
C11H24(33DE2MHg)
C11H24(33DE4MHl)
C11H24(33DE4MHg)
C11H24(33DEHl)
C11H24(33DEHg)
C11H24(33DMNl)
C11H24(33DMNg)
C11H24(3445T MHl)
C11H24(3445T MHg)
C11H24(344T MOl)
C11H24(344T MOg)
C11H24(345T MOl)
C11H24(345T MOg)
C11H24(346T MOl)
C11H24(346T MOg)
C11H24(34DE2MHl)
C11H24(34DE2MHg)
C11H24(34DE3MHl)
C11H24(34DE3MHg)
C11H24(34DEHl)
C11H24(34DEHg)
C11H24(34DMNl)
C11H24(34DMNg)
C11H24(355T MOl)
C11H24(355T MOg)
C11H24(35DEHl)
C11H24(35DEHg)
C11H24(35DMNl)
C11H24(35DMNg)
C11H24(36DMNl)
C11H24(36DMNg)
C11H24(37DMNl)
C11H24(37DMNg)
C11H24(3E2234T MP l)
C11H24(3E2234T MP g)
C11H24(3E223T MHl)
C11H24(3E223T MHg)
C11H24(3E2244T MP l)
C11H24(3E2244T MP g)
C11H24(3E224T MHl)
C11H24(3E224T MHg)
C11H24(3E225T MHl)
C11H24(3E225T MHg)
C11H24(3E22DMHl)
C11H24(3E22DMHg)
C11H24(3E234T MHl)
C11H24(3E234T MHg)
C11H24(3E235T MHl)
C11H24(3E235T MHg)
C11H24(3E23DMHl)
C11H24(3E23DMHg)
C11H24(3E244T MHl)
C11H24(3E244T MHg)
C11H24(3E24DMHl)
C11H24(3E24DMHg)
C11H24(3E25DMHl)
C11H24(3E25DMHg)
C11H24(3E26DMHl)
C11H24(3E26DMHg)
C11H24(3E2MOl)
C11H24(3E2MOg)
C11H24(3E344T MHl)
C11H24(3E344T MHg)
C11H24(3E34DMHl)
C11H24(3E34DMHg)
C11H24(3E35DMHl)
C11H24(3E35DMHg)
C11H24(3E3MOl)
C11H24(3E3MOg)
C11H24(3E44DMHl)
C11H24(3E44DMHg)
C11H24(3E45DMHl)
C11H24(3E45DMHg)
C11H24(3E4MOl)
C11H24(3E4MOg)
C11H24(3E5MOl)
C11H24(3E5MOg)
C11H24(3E6MOl)
C11H24(3E6MOg)
C11H24(3ENl)
C11H24(3ENg)
C11H24(3IP224T MP l)
C11H24(3IP224T MP g)
C11H24(3IP22DMHl)
C11H24(3IP22DMHg)
C11H24(3IP234T MP l)
C11H24(3IP234T MP g)
C11H24(3IP23DMHl)
C11H24(3IP23DMHg)
C11H24(3IP24DMHl)
C11H24(3IP24DMHg)
C11H24(3IP25DMHl)
C11H24(3IP25DMHg)
C11H24(3IP2MHl)
C11H24(3IP2MHg)
C11H24(3M4PHl)
C11H24(3M4PHg)
C11H24(3MDl)
C11H24(3MDg)
C11H24(445T MOl)
C11H24(445T MOg)
C11H24(44DE2MHl)
C11H24(44DE2MHg)
C11H24(44DEHl)
C11H24(44DEHg)
C11H24(44DMNl)
C11H24(44DMNg)
C11H24(45DMNl)
C11H24(45DMNg)
C11H24(46DMNl)
C11H24(46DMNg)
C11H24(4E223T MHl)
C11H24(4E223T MHg)
C11H24(4E224T MHl)
C11H24(4E224T MHg)
C11H24(4E225T MHl)
C11H24(4E225T MHg)
C11H24(4E22DMHl)
C11H24(4E22DMHg)
C11H24(4E233T MHl)
C11H24(4E233T MHg)
C11H24(4E234T MHl)
C11H24(4E234T MHg)
C11H24(4E235T MHl)
C11H24(4E235T MHg)
C11H24(4E23DMHl)
C11H24(4E23DMHg)
C11H24(4E24DMHl)
C11H24(4E24DMHg)
C11H24(4E25DMHl)
C11H24(4E25DMHg)
C11H24(4E26DMHl)
C11H24(4E26DMHg)
C11H24(4E2MOl)
C11H24(4E2MOg)
C11H24(4E33DMHl)
C11H24(4E33DMHg)
C11H24(4E34DMHl)
C11H24(4E34DMHg)
C11H24(4E35DMHl)
C11H24(4E35DMHg)
C11H24(4E3MOl)
C11H24(4E3MOg)
C11H24(4E4MOl)
C11H24(4E4MOg)
C11H24(4E5MOl)
C11H24(4E5MOg)
C11H24(4ENl)
C11H24(4ENg)
C11H24(4IP2MHl)
C11H24(4IP2MHg)
C11H24(4IP3MHl)
C11H24(4IP3MHg)
C11H24(4IP4MHl)
C11H24(4IP4MHg)
C11H24(4IPOl)
C11H24(4IPOg)
C11H24(4M4PHl)
C11H24(4M4PHg)
C11H24(4MDl)
C11H24(4MDg)
C11H24(4POl)
C11H24(4POg)
C11H24(4T BHl)
C11H24(4T BHg)
C11H24(55DMNl)
C11H24(55DMNg)
C11H24(5E22DMHl)
C11H24(5E22DMHg)
C11H24(5E23DMHl)
C11H24(5E23DMHg)
C11H24(5E24DMHl)
C11H24(5E24DMHg)
C11H24(5E25DMHl)
C11H24(5E25DMHg)
C11H24(5E2MOl)
C11H24(5E2MOg)
C11H24(5E33DMHl)
C11H24(5E33DMHg)
C11H24(5E3MOl)
C11H24(5E3MOg)
C11H24(5ENl)
C11H24(5ENg)
C11H24(5MDl)
C11H24(5MDg)
C11H24(6E2MOl)
C11H24(6E2MOg)
C11H24(UNDa)
C11H24(UNDl)
C11H24(UNDg)
C12H2(1357911DHg)
C12H7(1ENRg)
C12H8(1ENg)
C12H8(ANPHg)
C12H8(BP g)
C12H9(1VNAg)
C12H9(1VNBg)
C12H10(1VNg)
C12H10(ANg)
C12H10(BP Hl)
C12H10(BP Hg)
C12H10(BP H)
C12H11(Ag)
C12H11(Bg)
C12H12(12Dl)
C12H12(12Dg)
C12H12(12D)
C12H12(13Dl)
C12H12(13Dg)
C12H12(13D)
C12H12(14Dl)
C12H12(14Dg)
C12H12(14D)
C12H12(15Dl)
C12H12(15Dg)
C12H12(16Dl)
C12H12(16Dg)
C12H12(17Dl)
C12H12(17Dg)
C12H12(18D)
C12H12(18Dl)
C12H12(18Dg)
C12H12(1ENl)
C12H12(1ENg)
C12H12(23D)
C12H12(23Dl)
C12H12(23Dg)
C12H12(26D)
C12H12(26Dl)
C12H12(26Dg)
C12H12(27Dg)
C12H12(27D)
C12H12(27Dl)
C12H12(2ENl)
C12H12(2ENg)
C12H14(123T MEg)
C12H18(112T MPBg)
C12H18(11DMBBg)
C12H18(11EP 2MBg)
C12H18(11EP 3MBg)
C12H18(11EP 4MBg)
C12H18(11RS2DMP2MBg)
C12H18(11RSMB2MBg)
C12H18(11RSMB3MBg)
C12H18(11RSMB4MBg)
C12H18(11RSMP23DMBg)
C12H18(122DMP2MBg)
C12H18(122DMP3MBg)
C12H18(122DMP4MBg)
C12H18(123T l)
C12H18(123T g)
C12H18(124T l)
C12H18(124T g)
C12H18(12DE34DMBg)
C12H18(12DE35DMBg)
C12H18(12DE36DMBg)
C12H18(12DE45DMBg)
C12H18(12RSMB2MBg)
C12H18(12RSMB3MBg)
C12H18(12RSMB4MBg)
C12H18(135T l)
C12H18(135T g)
C12H18(135T a)
C12H18(13DE24DMBg)
C12H18(13DE25DMBg)
C12H18(13DE45DMBg)
C12H18(13DE46DMBg)
C12H18(13MB2MBg)
C12H18(13MB3MBg)
C12H18(13MB4MBg)
C12H18(14DE23DMBg)
C12H18(14DE25DMBg)
C12H18(14DE26DMBg)
C12H18(1B23DMBg)
C12H18(1B24DMBg)
C12H18(1B25DMBg)
C12H18(1B26DMBg)
C12H18(1B34DMBg)
C12H18(1B35DMBg)
C12H18(1E1MP Bg)
C12H18(1E2345T MBg)
C12H18(1E2346T MBg)
C12H18(1E2356T MBg)
C12H18(1IB23DMBg)
C12H18(1IB24DMBg)
C12H18(1IB25DMBg)
C12H18(1IB26DMBg)
C12H18(1IB34DMBg)
C12H18(1IB35DMBg)
C12H18(1IP234T MBg)
C12H18(1IP235T MBg)
C12H18(1IP236T MBg)
C12H18(1IP245T MBg)
C12H18(1IP246T MBg)
C12H18(1IP345T MBg)
C12H18(1P234T MBg)
C12H18(1P235T MBg)
C12H18(1P236T MBg)
C12H18(1P245T MBg)
C12H18(1P246T MBg)
C12H18(1P2MBg)
C12H18(1P345T MBg)
C12H18(1P3MBg)
C12H18(1P4MBg)
C12H18(1RS2RSDMBBg)
C12H18(1RS3DMBBg)
C12H18(1RSM22DMPBg)
C12H18(1RSMPBg)
C12H18(1T B23DMBg)
C12H18(1T B24DMBg)
C12H18(1T B25DMBg)
C12H18(1T B26DMBg)
C12H18(1T B34DMBg)
C12H18(1T B35DMBg)
C12H18(22DMBBg)
C12H18(2RS3DMBBg)
C12H18(2RSMPBg)
C12H18(33DMBBg)
C12H18(39Dl)
C12H18(3RSMPBg)
C12H18(4MPBg)
C12H18(HBZg)
C12H18(HBZa)
C12H18(HBZl)
C12H18(HMB)
C12H18(HMBl)
C12H18(HMBg)
C12H22(1Dl)
C12H22(1Dg)
C12H22(BCHl)
C12H22(CP Cl)
C12H24(1CHHg)
C12H24(1Da)
C12H24(1Dl)
C12H24(1Dg)
C12H24(HCH)
C12H24(HCHl)
C12H24(HCP g)
C12H24(HCP )
C12H24(HCP l)
C12H26(223344HMHl)
C12H26(223344HMHg)
C12H26(223345HMHl)
C12H26(223345HMHg)
C12H26(22334PMHl)
C12H26(22334PMHg)
C12H26(223355HMHl)
C12H26(223355HMHg)
C12H26(22335PMHl)
C12H26(22335PMHg)
C12H26(22336PMHl)
C12H26(22336PMHg)
C12H26(2233T MOl)
C12H26(2233T MOg)
C12H26(223445HMHl)
C12H26(223445HMHg)
C12H26(22344PMHl)
C12H26(22344PMHg)
C12H26(223455HMHl)
C12H26(223455HMHg)
C12H26(22345PMHl)
C12H26(22345PMHg)
C12H26(22346PMHl)
C12H26(22346PMHg)
C12H26(2234T MOl)
C12H26(2234T MOg)
C12H26(22355PMHl)
C12H26(22355PMHg)
C12H26(22356PMHl)
C12H26(22356PMHg)
C12H26(2235T MOl)
C12H26(2235T MOg)
C12H26(22366PMHl)
C12H26(22366PMHg)
C12H26(2236T MOl)
C12H26(2236T MOg)
C12H26(2237T MOl)
C12H26(2237T MOg)
C12H26(223T MNl)
C12H26(223T MNg)
C12H26(22445PMHl)
C12H26(22445PMHg)
C12H26(22446PMHl)
C12H26(22446PMHg)
C12H26(2244T MOl)
C12H26(2244T MOg)
C12H26(22455PMHl)
C12H26(22455PMHg)
C12H26(22456PMHl)
C12H26(22456PMHg)
C12H26(2245T MOl)
C12H26(2245T MOg)
C12H26(22466PMHl)
C12H26(22466PMHg)
C12H26(2246T MOl)
C12H26(2246T MOg)
C12H26(2247T MOl)
C12H26(2247T MOg)
C12H26(224T MNl)
C12H26(224T MNg)
C12H26(22556PMHl)
C12H26(22556PMHg)
C12H26(2255T MOl)
C12H26(2255T MOg)
C12H26(2256T MOl)
C12H26(2256T MOg)
C12H26(2257T MOl)
C12H26(2257T MOg)
C12H26(225T MNl)
C12H26(225T MNg)
C12H26(2266T MOl)
C12H26(2266T MOg)
C12H26(2267T MOl)
C12H26(2267T MOg)
C12H26(226T MNl)
C12H26(226T MNg)
C12H26(2277T MOl)
C12H26(2277T MOg)
C12H26(227T MNl)
C12H26(227T MNg)
C12H26(228T MNl)
C12H26(228T MNg)
C12H26(22DM4PHl)
C12H26(22DM4PHg)
C12H26(22DMDl)
C12H26(22DMDg)
C12H26(233445HMHl)
C12H26(233445HMHg)
C12H26(23344PMHl)
C12H26(23344PMHg)
C12H26(23345PMHl)
C12H26(23345PMHg)
C12H26(23346PMHl)
C12H26(23346PMHg)
C12H26(2334T MOl)
C12H26(2334T MOg)
C12H26(23355PMHl)
C12H26(23355PMHg)
C12H26(23356PMHl)
C12H26(23356PMHg)
C12H26(2335T MOl)
C12H26(2335T MOg)
C12H26(2336T MOl)
C12H26(2336T MOg)
C12H26(2337T MOl)
C12H26(2337T MOg)
C12H26(233T MNl)
C12H26(233T MNg)
C12H26(23445PMHl)
C12H26(23445PMHg)
C12H26(23446PMHl)
C12H26(23446PMHg)
C12H26(2344T MOl)
C12H26(2344T MOg)
C12H26(23455PMHl)
C12H26(23455PMHg)
C12H26(23456PMHl)
C12H26(23456PMHg)
C12H26(2345T MOl)
C12H26(2345T MOg)
C12H26(2346T MOl)
C12H26(2346T MOg)
C12H26(2347T MOl)
C12H26(2347T MOg)
C12H26(234T MNl)
C12H26(234T MNg)
C12H26(2355T MOl)
C12H26(2355T MOg)
C12H26(2356T MOl)
C12H26(2356T MOg)
C12H26(2357T MOl)
C12H26(2357T MOg)
C12H26(235T MNl)
C12H26(235T MNg)
C12H26(2366T MOl)
C12H26(2366T MOg)
C12H26(2367T MOl)
C12H26(2367T MOg)
C12H26(236T MNl)
C12H26(236T MNg)
C12H26(237T MNl)
C12H26(237T MNg)
C12H26(238T MNl)
C12H26(238T MNg)
C12H26(23DM4PHl)
C12H26(23DM4PHg)
C12H26(23DMDl)
C12H26(23DMDg)
C12H26(24455PMHl)
C12H26(24455PMHg)
C12H26(2445T MOl)
C12H26(2445T MOg)
C12H26(2446T MOl)
C12H26(2446T MOg)
C12H26(2447T MOl)
C12H26(2447T MOg)
C12H26(244T MNl)
C12H26(244T MNg)
C12H26(2455T MOl)
C12H26(2455T MOg)
C12H26(2456T MOl)
C12H26(2456T MOg)
C12H26(2457T MOl)
C12H26(2457T MOg)
C12H26(245T MNl)
C12H26(245T MNg)
C12H26(2466T MOl)
C12H26(2466T MOg)
C12H26(246T MNl)
C12H26(246T MNg)
C12H26(247T MNl)
C12H26(247T MNg)
C12H26(248T MNl)
C12H26(248T MNg)
C12H26(24DM4PHl)
C12H26(24DM4PHg)
C12H26(24DMDl)
C12H26(24DMDg)
C12H26(2556T MOl)
C12H26(2556T MOg)
C12H26(255T MNl)
C12H26(255T MNg)
C12H26(2566T MOl)
C12H26(2566T MOg)
C12H26(256T MNl)
C12H26(256T MNg)
C12H26(257T MNl)
C12H26(257T MNg)
C12H26(258T MNl)
C12H26(258T MNg)
C12H26(25DM4PHl)
C12H26(25DM4PHg)
C12H26(25DMDl)
C12H26(25DMDg)
C12H26(266T MNl)
C12H26(266T MNg)
C12H26(267T MNl)
C12H26(267T MNg)
C12H26(26DM4PHl)
C12H26(26DM4PHg)
C12H26(26DMDl)
C12H26(26DMDg)
C12H26(277T MNl)
C12H26(277T MNg)
C12H26(27DMDl)
C12H26(27DMDg)
C12H26(28DMDl)
C12H26(28DMDg)
C12H26(29DMDl)
C12H26(29DMDg)
C12H26(2M4POl)
C12H26(2M4POg)
C12H26(2M5POl)
C12H26(2M5POg)
C12H26(2MUl)
C12H26(2MUg)
C12H26(33445PMHl)
C12H26(33445PMHg)
C12H26(3344T MOl)
C12H26(3344T MOg)
C12H26(33455PMHl)
C12H26(33455PMHg)
C12H26(3345T MOl)
C12H26(3345T MOg)
C12H26(3346T MOl)
C12H26(3346T MOg)
C12H26(334T EHl)
C12H26(334T EHg)
C12H26(334T MNl)
C12H26(334T MNg)
C12H26(3355T MOl)
C12H26(3355T MOg)
C12H26(3356T MOl)
C12H26(3356T MOg)
C12H26(335T MNl)
C12H26(335T MNg)
C12H26(3366T MOl)
C12H26(3366T MOg)
C12H26(336T MNl)
C12H26(336T MNg)
C12H26(337T MNl)
C12H26(337T MNg)
C12H26(33DE224T MP l)
C12H26(33DE224T MP g)
C12H26(33DE22DMHl)
C12H26(33DE22DMHg)
C12H26(33DE24DMHl)
C12H26(33DE24DMHg)
C12H26(33DE25DMHl)
C12H26(33DE25DMHg)
C12H26(33DE2MHl)
C12H26(33DE2MHg)
C12H26(33DE44DMHl)
C12H26(33DE44DMHg)
C12H26(33DE4MHl)
C12H26(33DE4MHg)
C12H26(33DE5MHl)
C12H26(33DE5MHg)
C12H26(33DEOl)
C12H26(33DEOg)
C12H26(33DM4PHl)
C12H26(33DM4PHg)
C12H26(33DMDl)
C12H26(33DMDg)
C12H26(3445T MOl)
C12H26(3445T MOg)
C12H26(3446T MOl)
C12H26(3446T MOg)
C12H26(344T MNl)
C12H26(344T MNg)
C12H26(3455T MOl)
C12H26(3455T MOg)
C12H26(3456T MOl)
C12H26(3456T MOg)
C12H26(345T MNl)
C12H26(345T MNg)
C12H26(346T MNl)
C12H26(346T MNg)
C12H26(347T MNl)
C12H26(347T MNg)
C12H26(34DE22DMHl)
C12H26(34DE22DMHg)
C12H26(34DE23DMHl)
C12H26(34DE23DMHg)
C12H26(34DE24DMHl)
C12H26(34DE24DMHg)
C12H26(34DE25DMHl)
C12H26(34DE25DMHg)
C12H26(34DE2MHl)
C12H26(34DE2MHg)
C12H26(34DE34DMHl)
C12H26(34DE34DMHg)
C12H26(34DE3MHl)
C12H26(34DE3MHg)
C12H26(34DE4MHl)
C12H26(34DE4MHg)
C12H26(34DE5MHl)
C12H26(34DE5MHg)
C12H26(34DEOl)
C12H26(34DEOg)
C12H26(34DM4PHl)
C12H26(34DM4PHg)
C12H26(34DMDl)
C12H26(34DMDg)
C12H26(355T MNl)
C12H26(355T MNg)
C12H26(356T MNl)
C12H26(356T MNg)
C12H26(357T MNl)
C12H26(357T MNg)
C12H26(35DE2MHl)
C12H26(35DE2MHg)
C12H26(35DE3MHl)
C12H26(35DE3MHg)
C12H26(35DE4MHl)
C12H26(35DE4MHg)
C12H26(35DEOl)
C12H26(35DEOg)
C12H26(35DM4PHl)
C12H26(35DM4PHg)
C12H26(35DMDl)
C12H26(35DMDg)
C12H26(366T MNl)
C12H26(366T MNg)
C12H26(36DEOl)
C12H26(36DEOg)
C12H26(36DMDl)
C12H26(36DMDg)
C12H26(37DMDl)
C12H26(37DMDg)
C12H26(38DMDl)
C12H26(38DMDg)
C12H26(3E22344P MPl)
C12H26(3E22344P MPg)
C12H26(3E2234T MHl)
C12H26(3E2234T MHg)
C12H26(3E2235T MHl)
C12H26(3E2235T MHg)
C12H26(3E223T MHl)
C12H26(3E223T MHg)
C12H26(3E2244T MHl)
C12H26(3E2244T MHg)
C12H26(3E2245T MHl)
C12H26(3E2245T MHg)
C12H26(3E224T MHl)
C12H26(3E224T MHg)
C12H26(3E2255T MHl)
C12H26(3E2255T MHg)
C12H26(3E225T MHl)
C12H26(3E225T MHg)
C12H26(3E226T MHl)
C12H26(3E226T MHg)
C12H26(3E22DMOl)
C12H26(3E22DMOg)
C12H26(3E2344T MHl)
C12H26(3E2344T MHg)
C12H26(3E2345T MHl)
C12H26(3E2345T MHg)
C12H26(3E234T MHl)
C12H26(3E234T MHg)
C12H26(3E235T MHl)
C12H26(3E235T MHg)
C12H26(3E236T MHl)
C12H26(3E236T MHg)
C12H26(3E23DMOl)
C12H26(3E23DMOg)
C12H26(3E244T MHl)
C12H26(3E244T MHg)
C12H26(3E245T MHl)
C12H26(3E245T MHg)
C12H26(3E246T MHl)
C12H26(3E246T MHg)
C12H26(3E24DMOl)
C12H26(3E24DMOg)
C12H26(3E255T MHl)
C12H26(3E255T MHg)
C12H26(3E256T MHl)
C12H26(3E256T MHg)
C12H26(3E25DMOl)
C12H26(3E25DMOg)
C12H26(3E26DMOl)
C12H26(3E26DMOg)
C12H26(3E27DMOl)
C12H26(3E27DMOg)
C12H26(3E2MNl)
C12H26(3E2MNg)
C12H26(3E344T MHl)
C12H26(3E344T MHg)
C12H26(3E345T MHl)
C12H26(3E345T MHg)
C12H26(3E34DMOl)
C12H26(3E34DMOg)
C12H26(3E355T MHl)
C12H26(3E355T MHg)
C12H26(3E35DMOl)
C12H26(3E35DMOg)
C12H26(3E36DMOl)
C12H26(3E36DMOg)
C12H26(3E3IP 24DMPl)
C12H26(3E3IP 24DMPg)
C12H26(3E3IP 2MHl)
C12H26(3E3IP 2MHg)
C12H26(3E3MNl)
C12H26(3E3MNg)
C12H26(3E445T MHl)
C12H26(3E445T MHg)
C12H26(3E44DMOl)
C12H26(3E44DMOg)
C12H26(3E45DMOl)
C12H26(3E45DMOg)
C12H26(3E46DMOl)
C12H26(3E46DMOg)
C12H26(3E4IP Hl)
C12H26(3E4IP Hg)
C12H26(3E4MNl)
C12H26(3E4MNg)
C12H26(3E4P Hl)
C12H26(3E4P Hg)
C12H26(3E55DMOl)
C12H26(3E55DMOg)
C12H26(3E5MNl)
C12H26(3E5MNg)
C12H26(3E6MNl)
C12H26(3E6MNg)
C12H26(3E7MNl)
C12H26(3E7MNg)
C12H26(3EDl)
C12H26(3EDg)
C12H26(3IP2234T MP l)
C12H26(3IP2234T MP g)
C12H26(3IP223T MHl)
C12H26(3IP223T MHg)
C12H26(3IP2244T MP l)
C12H26(3IP2244T MP g)
C12H26(3IP224T MHl)
C12H26(3IP224T MHg)
C12H26(3IP225T MHl)
C12H26(3IP225T MHg)
C12H26(3IP22DMHl)
C12H26(3IP22DMHg)
C12H26(3IP234T MHl)
C12H26(3IP234T MHg)
C12H26(3IP235T MHl)
C12H26(3IP235T MHg)
C12H26(3IP23DMHl)
C12H26(3IP23DMHg)
C12H26(3IP244T MHl)
C12H26(3IP244T MHg)
C12H26(3IP24DMHl)
C12H26(3IP24DMHg)
C12H26(3IP25DMHl)
C12H26(3IP25DMHg)
C12H26(3IP26DMHl)
C12H26(3IP26DMHg)
C12H26(3IP2MOl)
C12H26(3IP2MOg)
C12H26(3M4POl)
C12H26(3M4POg)
C12H26(3M5POl)
C12H26(3M5POg)
C12H26(3MUl)
C12H26(3MUg)
C12H26(3T B22DMHl)
C12H26(3T B22DMHg)
C12H26(4455T MOl)
C12H26(4455T MOg)
C12H26(445T MNl)
C12H26(445T MNg)
C12H26(446T MNl)
C12H26(446T MNg)
C12H26(44DE22DMHl)
C12H26(44DE22DMHg)
C12H26(44DE23DMHl)
C12H26(44DE23DMHg)
C12H26(44DE2MHl)
C12H26(44DE2MHg)
C12H26(44DE3MHl)
C12H26(44DE3MHg)
C12H26(44DEOl)
C12H26(44DEOg)
C12H26(44DMDl)
C12H26(44DMDg)
C12H26(455T MNl)
C12H26(455T MNg)
C12H26(456T MNl)
C12H26(456T MNg)
C12H26(45DE2MHl)
C12H26(45DE2MHg)
C12H26(45DEOl)
C12H26(45DEOg)
C12H26(45DMDl)
C12H26(45DMDg)
C12H26(46DMDl)
C12H26(46DMDg)
C12H26(47DMDl)
C12H26(47DMDg)
C12H26(4E2233T MHl)
C12H26(4E2233T MHg)
C12H26(4E2234T MHl)
C12H26(4E2234T MHg)
C12H26(4E2235T MHl)
C12H26(4E2235T MHg)
C12H26(4E223T MHl)
C12H26(4E223T MHg)
C12H26(4E2245T MHl)
C12H26(4E2245T MHg)
C12H26(4E224T MHl)
C12H26(4E224T MHg)
C12H26(4E225T MHl)
C12H26(4E225T MHg)
C12H26(4E226T MHl)
C12H26(4E226T MHg)
C12H26(4E22DMOl)
C12H26(4E22DMOg)
C12H26(4E2334T MHl)
C12H26(4E2334T MHg)
C12H26(4E2335T MHl)
C12H26(4E2335T MHg)
C12H26(4E233T MHl)
C12H26(4E233T MHg)
C12H26(4E234T MHl)
C12H26(4E234T MHg)
C12H26(4E235T MHl)
C12H26(4E235T MHg)
C12H26(4E236T MHl)
C12H26(4E236T MHg)
C12H26(4E23DMOl)
C12H26(4E23DMOg)
C12H26(4E245T MHl)
C12H26(4E245T MHg)
C12H26(4E246T MHl)
C12H26(4E246T MHg)
C12H26(4E24DMOl)
C12H26(4E24DMOg)
C12H26(4E255T MHl)
C12H26(4E255T MHg)
C12H26(4E25DMOl)
C12H26(4E25DMOg)
C12H26(4E26DMOl)
C12H26(4E26DMOg)
C12H26(4E27DMOl)
C12H26(4E27DMOg)
C12H26(4E2MNl)
C12H26(4E2MNg)
C12H26(4E334T MHl)
C12H26(4E334T MHg)
C12H26(4E335T MHl)
C12H26(4E335T MHg)
C12H26(4E33DMOl)
C12H26(4E33DMOg)
C12H26(4E345T MHl)
C12H26(4E345T MHg)
C12H26(4E34DMOl)
C12H26(4E34DMOg)
C12H26(4E35DMOl)
C12H26(4E35DMOg)
C12H26(4E36DMOl)
C12H26(4E36DMOg)
C12H26(4E3IP 2MHl)
C12H26(4E3IP 2MHg)
C12H26(4E3MNl)
C12H26(4E3MNg)
C12H26(4E45DMOl)
C12H26(4E45DMOg)
C12H26(4E4IP Hl)
C12H26(4E4IP Hg)
C12H26(4E4MNl)
C12H26(4E4MNg)
C12H26(4E4P Hl)
C12H26(4E4P Hg)
C12H26(4E5MNl)
C12H26(4E5MNg)
C12H26(4E6MNl)
C12H26(4E6MNg)
C12H26(4EDl)
C12H26(4EDg)
C12H26(4IP225T MHl)
C12H26(4IP225T MHg)
C12H26(4IP22DMHl)
C12H26(4IP22DMHg)
C12H26(4IP235T MHl)
C12H26(4IP235T MHg)
C12H26(4IP23DMHl)
C12H26(4IP23DMHg)
C12H26(4IP24DMHl)
C12H26(4IP24DMHg)
C12H26(4IP25DMHl)
C12H26(4IP25DMHg)
C12H26(4IP26DMHl)
C12H26(4IP26DMHg)
C12H26(4IP2MOl)
C12H26(4IP2MOg)
C12H26(4IP33DMHl)
C12H26(4IP33DMHg)
C12H26(4IP34DMHl)
C12H26(4IP34DMHg)
C12H26(4IP35DMHl)
C12H26(4IP35DMHg)
C12H26(4IP3MOl)
C12H26(4IP3MOg)
C12H26(4IP4MOl)
C12H26(4IP4MOg)
C12H26(4IPNl)
C12H26(4IPNg)
C12H26(4M4POl)
C12H26(4M4POg)
C12H26(4M5POl)
C12H26(4M5POg)
C12H26(4MUl)
C12H26(4MUg)
C12H26(4PNl)
C12H26(4PNg)
C12H26(4T B2MHl)
C12H26(4T B2MHg)
C12H26(4T B3MHl)
C12H26(4T B3MHg)
C12H26(4T B4MHl)
C12H26(4T B4MHg)
C12H26(4T BOl)
C12H26(4T BOg)
C12H26(55DE2MHl)
C12H26(55DE2MHg)
C12H26(55DMDl)
C12H26(55DMDg)
C12H26(56DMDl)
C12H26(56DMDg)
C12H26(5E223T MHl)
C12H26(5E223T MHg)
C12H26(5E224T MHl)
C12H26(5E224T MHg)
C12H26(5E225T MHl)
C12H26(5E225T MHg)
C12H26(5E226T MHl)
C12H26(5E226T MHg)
C12H26(5E22DMOl)
C12H26(5E22DMOg)
C12H26(5E233T MHl)
C12H26(5E233T MHg)
C12H26(5E234T MHl)
C12H26(5E234T MHg)
C12H26(5E235T MHl)
C12H26(5E235T MHg)
C12H26(5E23DMOl)
C12H26(5E23DMOg)
C12H26(5E244T MHl)
C12H26(5E244T MHg)
C12H26(5E245T MHl)
C12H26(5E245T MHg)
C12H26(5E24DMOl)
C12H26(5E24DMOg)
C12H26(5E25DMOl)
C12H26(5E25DMOg)
C12H26(5E26DMOl)
C12H26(5E26DMOg)
C12H26(5E2MNl)
C12H26(5E2MNg)
C12H26(5E334T MHl)
C12H26(5E334T MHg)
C12H26(5E33DMOl)
C12H26(5E33DMOg)
C12H26(5E34DMOl)
C12H26(5E34DMOg)
C12H26(5E35DMOl)
C12H26(5E35DMOg)
C12H26(5E3MNl)
C12H26(5E3MNg)
C12H26(5E44DMOl)
C12H26(5E44DMOg)
C12H26(5E4MNl)
C12H26(5E4MNg)
C12H26(5E5MNl)
C12H26(5E5MNg)
C12H26(5EDl)
C12H26(5EDg)
C12H26(5IP2MOl)
C12H26(5IP2MOg)
C12H26(5IP3MOl)
C12H26(5IP3MOg)
C12H26(5IP4MOl)
C12H26(5IP4MOg)
C12H26(5IPNl)
C12H26(5IPNg)
C12H26(5MUl)
C12H26(5MUg)
C12H26(5PNl)
C12H26(5PNg)
C12H26(6E22DMOl)
C12H26(6E22DMOg)
C12H26(6E23DMOl)
C12H26(6E23DMOg)
C12H26(6E24DMOl)
C12H26(6E24DMOg)
C12H26(6E25DMOl)
C12H26(6E25DMOg)
C12H26(6E26DMOl)
C12H26(6E26DMOg)
C12H26(6E2MNl)
C12H26(6E2MNg)
C12H26(6E33DMOl)
C12H26(6E33DMOg)
C12H26(6E34DMOl)
C12H26(6E34DMOg)
C12H26(6E3MNl)
C12H26(6E3MNg)
C12H26(6MUl)
C12H26(6MUg)
C12H26(7E2MNl)
C12H26(7E2MNg)
C12H26(DODl)
C12H26(DODg)
C13H10(BeIg)
C13H10(BfIg)
C13H10(Fg)
C13H12(2MBP )
C13H12(2MBP l)
C13H12(3MBP )
C13H12(3MBP l)
C13H12(4MB)
C13H12(DPM)
C13H12(DPMl)
C13H14(123T MN)
C13H14(123T MNg)
C13H14(124T MNl)
C13H14(124T MNg)
C13H14(125T MNg)
C13H14(126T MN)
C13H14(126T MNl)
C13H14(126T MNg)
C13H14(127T MNg)
C13H14(128T MNg)
C13H14(135T MN)
C13H14(135T MNl)
C13H14(135T MNg)
C13H14(136T MN)
C13H14(136T MNl)
C13H14(136T MNg)
C13H14(137T MNg)
C13H14(138T MNg)
C13H14(145T MNg)
C13H14(146T MNg)
C13H14(167T MNg)
C13H14(1E2MNg)
C13H14(1E3MNg)
C13H14(1E4MNg)
C13H14(1E5MNg)
C13H14(1E6MNg)
C13H14(1E7MNg)
C13H14(1E8MNg)
C13H14(1IPNg)
C13H14(1PNl)
C13H14(1PNg)
C13H14(236T MN)
C13H14(236T MNl)
C13H14(236T MNg)
C13H14(2E1MNg)
C13H14(2E3MNl)
C13H14(2E3MNg)
C13H14(2E6MN)
C13H14(2E6MNl)
C13H14(2E6MNg)
C13H14(2E7MNl)
C13H14(2E7MNg)
C13H14(2IPNg)
C13H14(2PNl)
C13H14(2PNg)
C13H14(3E1MNg)
C13H14(6E1MNg)
C13H14(7E1MNg)
C13H20(HBZl)
C13H20(HBZg)
C13H24(1T l)
C13H24(1T g)
C13H26(1T l)
C13H26(1T g)
C13H26(HCHg)
C13H26(HPCH)
C13H26(HPCHl)
C13H26(OCP )
C13H26(OCP l)
C13H26(OCP g)
C13H28(T DEg)
C13H28(T DEa)
C13H28(T DEl)
C13H28(T DEg)
C13H40(20EAAP REG)
C13H40(20EAAP REGl)
C14H8(Pg)
C14H10(Ag)
C14H10(A)
C14H10(Al)
C14H10(PAl)
C14H10(PAg)
C14H10(PA)
C14H12(12DHAg)
C14H12(12DHPHEg)
C14H12(14DHAg)
C14H12(14DHPHEg)
C14H12(34DHPHEg)
C14H12(910DHAg)
C14H12(910DHPHEg)
C14H12(CST l)
C14H12(Pg)
C14H12(T ST )
C14H12(T ST l)
C14H14(11Dl)
C14H14(11DPEl)
C14H14(1234T HAg)
C14H14(1234T HPHEg)
C14H14(12D)
C14H14(12Dl)
C14H14(23DMBP )
C14H14(23DMBP l)
C14H14(24DMBP )
C14H14(24DMBP l)
C14H14(26DMBP )
C14H14(26DMBP l)
C14H14(34DMBP )
C14H14(34DMBP l)
C14H14(35DMBP )
C14H14(35DMBP l)
C14H14(44D)
C14H14(4MDl)
C14H16(1234T MNg)
C14H16(1235T MNg)
C14H16(1236T MNg)
C14H16(1237T MNg)
C14H16(1238T MNg)
C14H16(1245T MNg)
C14H16(1246T MNg)
C14H16(1247T MNg)
C14H16(1248T MNg)
C14H16(1256T MNg)
C14H16(1257T MNg)
C14H16(1258T MNg)
C14H16(1267T MNg)
C14H16(1268T MNg)
C14H16(1278T MNg)
C14H16(12DENg)
C14H16(1357T MNg)
C14H16(1358T MNg)
C14H16(1367T MNg)
C14H16(1368T MNg)
C14H16(13DENg)
C14H16(1458T MNg)
C14H16(1467T MNg)
C14H16(14DENg)
C14H16(15DENg)
C14H16(16DENg)
C14H16(17DENg)
C14H16(18DENg)
C14H16(1BNl)
C14H16(1BNg)
C14H16(1E23DMNg)
C14H16(1E24DMNg)
C14H16(1E25DMNg)
C14H16(1E26DMNg)
C14H16(1E27DMNg)
C14H16(1E28DMNg)
C14H16(1E35DMNg)
C14H16(1E36DMNg)
C14H16(1E37DMNg)
C14H16(1E38DMNg)
C14H16(1E45DMNg)
C14H16(1E46DMNg)
C14H16(1E67DMNg)
C14H16(1IBNg)
C14H16(1IP2MNg)
C14H16(1IP3MNg)
C14H16(1IP4MNg)
C14H16(1IP5MNg)
C14H16(1IP6MNg)
C14H16(1IP7MNg)
C14H16(1IP8MNg)
C14H16(1M2PNg)
C14H16(1M3PNg)
C14H16(1M4PNg)
C14H16(1M5PNg)
C14H16(1M6PNg)
C14H16(1M7PNg)
C14H16(1M8PNg)
C14H16(1SBNg)
C14H16(1T BNg)
C14H16(2367T MNg)
C14H16(23DENg)
C14H16(26DENg)
C14H16(27DENg)
C14H16(2BNl)
C14H16(2BNg)
C14H16(2E13DMNg)
C14H16(2E14DMNg)
C14H16(2E15DMNg)
C14H16(2E16DMNg)
C14H16(2E17DMNg)
C14H16(2E18DMNg)
C14H16(2E36DMNg)
C14H16(2IBNg)
C14H16(2IP1MNg)
C14H16(2IP3MNg)
C14H16(2IP6MNg)
C14H16(2IP7MNg)
C14H16(2M1PNg)
C14H16(2M3PNg)
C14H16(2M6PNg)
C14H16(2M7PNg)
C14H16(2SBNg)
C14H16(2T BNg)
C14H16(3E12DMNg)
C14H16(3E15DMNg)
C14H16(3E16DMNg)
C14H16(3E17DMNg)
C14H16(3E18DMNg)
C14H16(3E26DMNg)
C14H16(3IP1MNg)
C14H16(3M1PNg)
C14H16(4E12DMNg)
C14H16(4E15DMNg)
C14H16(4E16DMNg)
C14H16(5E12DMNg)
C14H16(5E13DMNg)
C14H16(5E14DMNg)
C14H16(6E12DMNg)
C14H16(6E13DMNg)
C14H16(6E14DMNg)
C14H16(6E17DMNg)
C14H16(6E23DMNg)
C14H16(6IP1MNg)
C14H16(6M1PNg)
C14H16(7E12DMNg)
C14H16(7E13DMNg)
C14H16(7E16DMNg)
C14H16(7IP1MNg)
C14H16(7M1PNg)
C14H16(8E12DMNg)
C14H16(8E13DMNg)
C14H18(12344aa91010aaOg)
C14H18(12344aa91010abPg)
C14H18(12344aa99aa10OHg)
C14H18(12345678OHAg)
C14H18(12345678OHPHEg)
C14H18(t12344a99a10OHAg)
C14H22(1234T EBg)
C14H22(1235T EBg)
C14H22(1245T EBg)
C14H22(OBZl)
C14H22(OBZg)
C14H24(catPHP HEg)
C14H24(cstP HPHEg)
C14H24(ctP HAg)
C14H24(tatP HPHEg)
C14H24(tscP HPHEg)
C14H24(tstPHAg)
C14H26(1T l)
C14H26(1T g)
C14H26(BCHl)
C14H28(1T l)
C14H28(1T g)
C14H28(NCP )
C14H28(NCP l)
C14H28(NCP g)
C14H28(OCH)
C14H28(OCHl)
C14H28(OCHg)
C14H30(T DAa)
C14H30(T DAl)
C14H30(T DAg)
C15H10(45MPHEg)
C15H12(1MA)
C15H12(1MAl)
C15H12(1MPHl)
C15H12(1MPH)
C15H12(2MA)
C15H12(2MAl)
C15H12(2MPHl)
C15H12(2MPH)
C15H12(4MPHl)
C15H12(4MPH)
C15H16(25Dl)
C15H18(1PNl)
C15H18(1PNg)
C15H18(2PNl)
C15H18(2PNg)
C15H24(NBZl)
C15H24(NBZg)
C15H28(1Pl)
C15H28(1Pg)
C15H30(1Pl)
C15H30(1Pg)
C15H30(DCP )
C15H30(DCP l)
C15H30(DCP g)
C15H30(NCH)
C15H30(NCHl)
C15H30(NCHg)
C15H32(2610T MD)
C15H32(2610T MDl)
C15H32(PDAl)
C15H32(PDAg)
C16H10(AAg)
C16H10(APHEg)
C16H10(FLU)
C16H10(FLUg)
C16H10(Pg)
C16H10(PYR)
C16H10(PYRl)
C16H10(PYRg)
C16H12(AAg)
C16H12(APHEg)
C16H12(PHNg)
C16H14(13DMPHl)
C16H14(13DMPH)
C16H14(14D)
C16H14(14Dl)
C16H14(18DMPHl)
C16H14(18DMPH)
C16H14(23DMPHl)
C16H14(23DMPH)
C16H14(25DMPHl)
C16H14(25DMPH)
C16H14(26DMPHl)
C16H14(26DMPH)
C16H14(49DMPHl)
C16H14(49DMPH)
C16H16(22P)
C16H26(DCBg)
C16H26(DCBa)
C16H26(DCBl)
C16H26(DCBg)
C16H26(PEBl)
C16H26(PEBg)
C16H30(1HDl)
C16H30(1HDg)
C16H32(1CP Dg)
C16H32(1CP Ug)
C16H32(1HDl)
C16H32(1HDg)
C16H32(DCH)
C16H32(DCHl)
C16H32(DCHg)
C16H32(UCP )
C16H32(UCP l)
C16H34(2610T MT l)
C16H34(HDA)
C16H34(HDAl)
C16H34(HDAg)
C17H12(17HCP aP HEg)
C17H12(1HCP bAg)
C17H12(1HCP lP HEg)
C17H12(1MPYR)
C17H12(1MPYRl)
C17H12(2MPYR)
C17H12(2MPYRl)
C17H28(UDBl)
C17H28(UDBg)
C17H32(1Hl)
C17H32(1Hg)
C17H34(1CHDg)
C17H34(1CP Dg)
C17H34(1Hl)
C17H34(1Hg)
C17H34(DCP )
C17H34(DCP l)
C17H34(UCH)
C17H34(UCHl)
C17H36(HDA)
C17H36(HDAl)
C17H36(HDAg)
C18H10(BghiFg)
C18H10(CP cdPYRg)
C18H10(CP fgAAg)
C18H12(12B)
C18H12(BAg)
C18H12(BP Ag)
C18H12(Cg)
C18H12(CHR)
C18H12(CRl)
C18H12(Ng)
C18H12(NAP)
C18H12(NAPl)
C18H12(T Pg)
C18H12(T P)
C18H14(12DPHBZE)
C18H14(OT P)
C18H30(DDBl)
C18H30(DDBg)
C18H30(HEB)
C18H30(HEBl)
C18H30(HEBg)
C18H34(1ODYg)
C18H36(1ODg)
C18H36(1ODl)
C18H36(DCH)
C18H36(DCHl)
C18H36(DCHg)
C18H36(T CP g)
C18H36(T CP l)
C18H38(ODA)
C18H38(ODAl)
C18H38(ODAg)
C19H14(1MCR)
C19H14(1MCRl)
C19H14(2MCR)
C19H14(2MCRl)
C19H14(4MCR)
C19H14(4MCRl)
C19H16(T PM)
C19H26(NNPg)
C19H32(T DBg)
C19H32(AAAND)
C19H32(AAANDl)
C19H32(ABAND)
C19H32(ABANDl)
C19H32(BAAND)
C19H32(BAANDl)
C19H32(BBAND)
C19H32(BBANDl)
C19H32(T DBl)
C19H36(1NDYg)
C19H38(T CHg)
C19H38(T CP g)
C19H38(1Nl)
C19H38(1Ng)
C19H38(T CHl)
C19H38(T CP l)
C19H40(NDAl)
C19H40(NDAg)
C19H40(NDA)
C20H10(DCP cdfgP g)
C20H10(DCP cdjkP g)
C20H10(DCP cdmnP g)
C20H12(BaPg)
C20H12(BePg)
C20H12(BjAAg)
C20H12(BkFg)
C20H12(Pg)
C20H12(PER)
C20H12(PERs)
C20H14(Cg)
C20H14(T g)
C20H16(T PHg)
C20H18(112T PEl)
C20H18(112T PEg)
C20H28(DNPg)
C20H34(T Bl)
C20H34(T Bg)
C20H36(448101314HMPHP A)
C20H36(448101314HMPHP Al)
C20H38(1ESYg)
C20H40(1CHT g)
C20H40(1CP Pg)
C20H40(1ESEg)
C20H40(1ESE)
C20H40(PCPl)
C20H40(T CHl)
C20H42(2610T M73MBD)
C20H42(2610T M73MBDl)
C20H42(EIC)
C20H42(EICl)
C20H42(EICg)
C21H14(1HCP aCg)
C21H16(12D)
C21H16(12Dl)
C21H36(1PP Dg)
C21H36(AAPREG)
C21H36(AAPREGl)
C21H36(ABP REG)
C21H36(ABP REGl)
C21H36(BAP REG)
C21H36(BAP REGl)
C21H36(BBPREG)
C21H36(BBPREGl)
C21H36(PBl)
C21H38(4481013PM14EPHP A)
C21H38(481013PM14EPHP Al)
C21H42(1CHP g)
C21H42(HCP g)
C21H42(HCP l)
C21H44(261014T MH)
C21H44(261014T MHl)
C22H10(DCP ghipqrP g)
C22H10(T CP cdfgjkPg)
C22H12(BghiP g)
C22H12(DBdefmnoCg)
C22H12(I123cdFg)
C22H14(BCg)
C22H14(BCRgg)
C22H14(BNg)
C22H14(BT P g)
C22H14(BaT Pg)
C22H14(BbCg)
C22H14(BbT Pg)
C22H14(BcCg)
C22H14(DBAg)
C22H14(DBAacg)
C22H14(DBAcgg)
C22H14(DBP Ag)
C22H14(DBP Acgg)
C22H14(DBahAg)
C22H14(DahBAg)
C22H14(DajBAg)
C22H14(Pg)
C22H14(PCg)
C22H14(PP g)
C22H38(HBg)
C22H38(20MAAPREG)
C22H38(20MAAPREGl)
C22H38(20MABP REG)
C22H38(20MABP REGl)
C22H38(20MBAP REG)
C22H38(20MBAP REGl)
C22H38(20MBBPREG)
C22H38(20MBBPREGl)
C22H38(HBl)
C22H40(PP HPA)
C22H40(PP HPAl)
C22H44(1CHHg)
C22H46(261014T MO)
C22H46(261014T MOl)
C22H46(2MHENl)
C22H46(3MHENl)
C23H40(20EABPREG)
C23H40(20EABPREGl)
C23H40(20EBAPREG)
C23H40(20EBAPREGl)
C23H40(20EBBP REG)
C23H40(20EBBP REGl)
C23H42(BP HPA)
C23H42(BP HPAl)
C23H48(261014T MN)
C23H48(261014T MNl)
C23H52(3MOPHP A)
C24H10(T CP cdfgjkmnP g)
C24H12(BghiCPcdP g)
C24H12(BmnoI1765cdefCg)
C24H12(BmnoI5671defgCg)
C24H12(Cg)
C24H12(C)
C24H12(DBdefmnoCP hiCg)
C24H12(DCP cdlmPg)
C24H12(I5671pqraPg)
C24H14(BaPg)
C24H14(BbPg)
C24H14(BpqrPg)
C24H14(BrstP g)
C24H14(DBaeP g)
C24H14(DBbdefCg)
C24H14(DBcmnoCg)
C24H14(DBdefpCg)
C24H14(DBdemnNg)
C24H14(DBdeqrNg)
C24H14(DBfgopNg)
C24H14(N218qraNg)
C24H14(N812ghiCg)
C24H14(Zg)
C24H18(135T PHBZE)
C24H34(11Dl)
C24H42(AACHO)
C24H42(AACHOl)
C24H42(ABCHO)
C24H42(ABCHOl)
C24H42(BACHO)
C24H42(BACHOl)
C24H42(BBCHO)
C24H42(BBCHOl)
C24H44(3MBP HPA)
C24H44(3MBP HPAl)
C24H50(T CSg)
C24H50(T CS)
C24H50(T CSl)
C25H44(24MAACHO)
C25H44(24MAACHOl)
C25H44(24MABCHO)
C25H44(24MABCHOl)
C25H44(24MBACHO)
C25H44(24MBACHOl)
C25H44(24MBBCHO)
C25H44(24MBBCHOl)
C25H46(3MPP HPA)
C25H46(MPP HPAl)
C25H52(261014T M173MPP )
C25H52(261014T M73MPP l)
C25H52(PCS)
C25H52(PCSl)
C26H12(CP bcCg)
C26H14(BaAg)
C26H14(BbAg)
C26H14(BeAg)
C26H14(DBaghiPg)
C26H14(DBbghiPg)
C26H14(DBcd,lmPg)
C26H14(DBeghiPg)
C26H14(N1234ghiPg)
C26H14(N812bcdP g)
C26H14(Rg)
C26H20(T PEg)
C26H22(1122T l)
C26H22(1122T HE)
C26H22(1122T HEg)
C26H44(A22252930T KNHOP)
C26H44(A22252930T KNHOPl)
C26H44(AOKHHOPl)
C26H44(AT KHHOPl)
C26H44(B22252930T KNHOP )
C26H44(B22252930T KNHOP l)
C26H46(24NAACHO)
C26H46(24NAACHOl)
C26H46(24NABCHOST )
C26H46(24NABCHOST l)
C26H46(24NBACHOST )
C26H46(24NBACHOST l)
C26H46(24NBBCHOST )
C26H46(24NBBCHOST l)
C26H48(3MHPHP A)
C26H48(3MHPHP Al)
C26H52(11CP l)
C26H52(3CHl)
C26H52(9CHl)
C26H54(HCS)
C26H54(HCSl)
C27H46(A222930T NHOP)
C27H46(A222930T NHOPl)
C27H46(B222930T NHOP )
C27H46(B222930T NHOP l)
C27H48(AACHOST )
C27H48(AACHOST l)
C27H48(ABCHO)
C27H48(ABCHOl)
C27H48(BACHOST )
C27H48(BACHOST l)
C27H48(BBCHOST )
C27H48(BBCHOST l)
C27H50(3MHPHP A)
C27H50(3MHPHP Al)
C27H54(11Cl)
C28H12(DCP bchiCg)
C28H14(BaCg)
C28H14(BpqrN812bcdP g)
C28H14(DBcdfgAg)
C28H14(DBcdhiAg)
C28H14(DBcdlmAg)
C28H14(DBhiqrAg)
C28H14(N218hijAg)
C28H14(N812efgAg)
C28H14(PA11098opqraP g)
C28H16(A219qraT g)
C28H16(BaN218hijT g)
C28H16(BaN812cdeT g)
C28H16(BaN812fghT g)
C28H16(BaN812lmnT g)
C28H16(BaZg)
C28H16(BcN1234pqrT g)
C28H16(BcN812ghiT g)
C28H16(BcN812mnoT g)
C28H16(BdeN123qrT g)
C28H16(BfZg)
C28H16(BfgN321opT g)
C28H16(BvwxHg)
C28H16(DBaeP g)
C28H16(DBafPg)
C28H16(DBajP g)
C28H16(DBanPg)
C28H16(DBapqrP g)
C28H16(DBbcP g)
C28H16(DBbjP g)
C28H16(DBbtuvP g)
C28H16(DBcrstPg)
C28H16(DBdeijP g)
C28H16(DBdeklPg)
C28H16(DBdeqrPg)
C28H16(DBdestP g)
C28H16(DBdeuvPg)
C28H16(DBdeuvPCg)
C28H16(DBdeuvPP g)
C28H16(DBfgijPg)
C28H16(DBfgqrP g)
C28H16(DBfgstPg)
C28H16(DBfpqrPg)
C28H16(DBhrstP g)
C28H16(DBjpqrP g)
C28H16(DBorstP g)
C28H16(HZg)
C28H16(N1234bprP g)
C28H16(N1234rstPg)
C28H16(N12bP g)
C28H16(N12eP g)
C28H16(N218defPg)
C28H16(N218fghP g)
C28H16(N218jklPg)
C28H16(N21aP g)
C28H16(N23aP g)
C28H16(N812cdeP g)
C28H16(N812cdeP Pg)
C28H16(N812opqP g)
C28H16(P1234pqrT g)
C28H16(P9101hifT g)
C28H16(T BafgopT g)
C28H16(T BahimnT g)
C28H16(T BcmpqrT g)
C28H16(T BfijnoT g)
C28H16(T BfmpqrT g)
C28H26(1144T l)
C28H48(A2930DNHOP)
C28H48(A2930DNHOPl)
C28H48(B2930BNHOP)
C28H48(B2930BNHOPl)
C28H50(24MAACHOST )
C28H50(24MAACHOST l)
C28H50(24MABCHOST )
C28H50(24MABCHOST l)
C28H50(24MBACHOST )
C28H50(24MBACHOST l)
C28H50(24MBBCHOST )
C28H50(24MBBCHOST l)
C28H52(3MOPHP Al)
C28H58(NOCg)
C29H50(A3NHOP)
C29H50(A3NHOPl)
C29H50(B30NHOP )
C29H50(B30NHOP l)
C29H52(2324DMAACHOST )
C29H52(2324DMAACHOST l)
C29H52(2324DMABCHOST )
C29H52(2324DMABCHOST l)
C29H52(2324DMBACHOST )
C29H52(2324DMBACHOST l)
C29H52(2324DMBBCHOST )
C29H52(2324DMBBCHOST l)
C29H52(24EAACHOST )
C29H52(24EAACHOST l)
C29H52(24EABCHOST )
C29H52(24EABCHOST l)
C29H52(24EBACHOST )
C29H52(24EBACHOST l)
C29H52(24EBBCHOST )
C29H52(24EBBCHOST l)
C29H54(37DMOPHP A)
C29H54(37DMOPHP Al)
C30H12(T CP bchinoCg)
C30H14(DBbcefCg)
C30H14(DBbcklCg)
C30H14(N81abcCg)
C30H16(A1234ghiPg)
C30H16(A912bcdP g)
C30H16(BaN1234ghiPg)
C30H16(BaN218cdeP g)
C30H16(BaN218lmnPg)
C30H16(BaN812klmPg)
C30H16(BaPg)
C30H16(BdeN2187ijklPg)
C30H16(BdeN2187opqrPg)
C30H16(BdeN2187qrstPg)
C30H16(BeN1234ghiPg)
C30H16(BghiN12bPg)
C30H16(BghiN12ePg)
C30H16(BghiN21aPg)
C30H16(BghiN21bPg)
C30H16(BghiN21ePg)
C30H16(BghiN812cdePg)
C30H16(BijN2187defgPg)
C30H16(BlmN18abP g)
C30H16(BpqN812cdeP g)
C30H16(BpqrN218defPg)
C30H16(BqrN2187defgP g)
C30H16(BqrN2187fghiPg)
C30H16(BrstN218fghPg)
C30H16(BstN2187defgPg)
C30H16(BuvN2187defgP g)
C30H16(BuvN218defgP g)
C30H16(DBaeAg)
C30H16(DBakAg)
C30H16(DBanAg)
C30H16(DBbeAg)
C30H16(DBbkAg)
C30H16(DBbrAg)
C30H16(DBehAg)
C30H16(N12aAg)
C30H16(N12bAg)
C30H16(N12eAg)
C30H16(N21aAg)
C30H16(N21bAg)
C30H16(N21eAg)
C30H16(N23aAg)
C30H16(N23bAg)
C30H16(N23eAg)
C30H16(N812fghZg)
C30H16(Pg)
C30H16(P1234ghiP g)
C30H16(P3456fghijPg)
C30H16(T g)
C30H16(T BaeghiP g)
C30H16(T BaghikPg)
C30H16(T BbeghiP g)
C30H16(T BdehimnqrT g)
C30H16(T BdeijrstP g)
C30H16(T BfgijrstPg)
C30H52(AHOP)
C30H52(AHOPl)
C30H52(BHOP )
C30H52(BHOP l)
C30H54(24PAACHOST )
C30H54(24PAACHOST l)
C30H54(24PABCHOST )
C30H54(24PABCHOST l)
C30H54(24PBACHOST )
C30H54(24PBACHOST l)
C30H54(24PBBCHOST )
C30H54(24PBBCHOST l)
C30H56(37DMNPHP A)
C30H56(37DMNPHP Al)
C30H62(26101418PM73MP N)
C30H62(26101418PM73MP Nl)
C30H62(2610151923HMCSl)
C30H62(2610151923HMT CS)
C31H54(AHHOP)
C31H54(AHHOPl)
C31H54(BHHOP )
C31H54(BHHOP l)
C31H62(13Cl)
C32H14(Og)
C32H14(T CP bcefhinoCg)
C32H16(BaN218cdeAg)
C32H16(BaN218hijAg)
C32H16(BaN218lmnAg)
C32H16(BaN812efgAg)
C32H16(BaN812klmAg)
C32H16(BaN812nopAg)
C32H16(BbN218hijAg)
C32H16(BbN218lmnAg)
C32H16(BbN812efgAg)
C32H16(BbN812klmAg)
C32H16(BbN812nopAg)
C32H16(BcdN123hiAg)
C32H16(BcdN321fgAg)
C32H16(BcdN321hiAg)
C32H16(BeN218hijAg)
C32H16(BfgN18abAg)
C32H16(BghiT g)
C32H16(BhiN123qrAg)
C32H16(BlmN18abAg)
C32H16(BnN812bcdAg)
C32H16(BqrN321hiAg)
C32H16(DBadCg)
C32H16(DBagCg)
C32H16(DBajCg)
C32H16(DBbc,mnP g)
C32H16(DBbc,qrP g)
C32H16(DBghilmN18abP g)
C32H16(N1234ijkPg)
C32H16(N12aCg)
C32H16(N218bcdP g)
C32H16(N23aCg)
C32H16(N812abcP g)
C32H16(T BacdfgAg)
C32H16(T BacdhiAg)
C32H16(T BafgopAg)
C32H16(T BahiopAg)
C32H16(T BbfgopAg)
C32H16(T BbfgqrAg)
C32H16(T BbhiopAg)
C32H16(T BbhiqrAg)
C32H16(T BcdfgjAg)
C32H16(T BcdfgkAg)
C32H16(T BcdhikAg)
C32H16(T BehiopAg)
C32H16(T BehiqrAg)
C32H56(ABHHOP )
C32H56(ABHHOP l)
C32H56(AHKHHOPl)
C32H56(BBHHOP)
C32H56(BBHHOPl)
C32H66(DOT )
C32H66(DOT l)
C32H66(NDOg)
C33H58(AT HHOP)
C33H58(AT HHOPl)
C33H58(BT HHOP )
C33H58(BT HHOP l)
C33H58(BT KHHOP l)
C33H68(T T C)
C33H68(T T Cl)
C34H12(PCPbcefhiklnoCg)
C34H16(DBcdpqBAg)
C34H16(DBefpqBAg)
C34H60(AT KHHOP)
C34H60(BT KHHOP )
C35H62(APKHHOP )
C35H62(APKHHOP l)
C35H62(BP KHHOP)
C35H62(BP KHHOPl)
C36H12(HCP bcefhiklnoqCg)
C36H16(A198abcdBhiCg)
C36H16(BaOg)
C36H16(BcdDN2187g)
C36H16(BdOg)
C36H16(BopDN812g)
C36H16(DBefhiN812abcCg)
C36H16(DBefnoN812abcCg)
C36H16(DBhiklN812abcCg)
C36H16(DBklnoN812abcCg)
C36H16(DN2'1'8'efgg)
C36H16(DN2'1'8'hijg)
C36H16(DN2'1'8'klmg)
C36H16(DN2'1'8'nopg)
C36H16(DN8'1'2'ghig)
C36H16(DN8'1'2'jklg)
C36H16(DijktuvN812efgCg)
C36H16(P345abcCg)
C36H16(P432abcCg)
C36H16(T BbcefhiklCg)
C36H16(T BbcefklnoCg)
C36H64(AHKHHOP)
C36H64(AHKHHOPl)
C36H64(BHKHHOP )
C36H64(BHKHHOP l)
C36H74(NHXg)
C37H66(AHKHHOP)
C37H66(BHKHHOP )
C37H66(BHKHHOP l)
C38H16(CBPg)
C38H16(DBbcefOg)
C38H16(DBbcmnOg)
C38H16(DBbcstOg)
C38H16(DBbcuvOg)
C38H16(DBhistOg)
C38H16(DBhiuvOg)
C38H16(N218bcdOg)
C38H16(N218uvaOg)
C38H16(N812abcOg)
C38H68(AOKHHOP)
C38H68(BOKHHOP )
C38H68(BOKHHOP l)
C39H70(ANKHHOP)
C39H70(ANKHHOPl)
C39H70(BNKHHOP )
C39H70(BNKHHOP l)
C40H16(BbcN2187stuvOg)
C40H16(C26Ag)
C40H16(C26P Ag)
C40H70(ADKHHOPl)
C40H72(ADKHHOP)
C40H72(BDKHHOP )
C40H72(BDKHHOP l)
C40H82(BIP H)
C40H82(BIP Hl)
C40H82(LYCO)
C40H82(LYCOl)
C42H16(CP g)
C54H18(CCg)
C66H20(CVg)
C80H22(2CP g)
C96H24(2CCg)
CH(+g)
C3H9Al(l)
C3H9Al(T MAg)
(CH3)3AlAl(CH3)3(l)
C6H15B(l)
C2H11B2N(DMAg)
C3H12BN
C3H12BN(AT M)
CHBr3(l)
CHBr3(g)
CHBr3(T BMg)
CH2Br2(g)
CH3Br(g)
C2H2Br4(1122T BMg)
C2H3Br(g)
C2H3Br3(g)
C2H4Br2(l)
C2H4Br2(g)
C2H4Br2(12DBEg)
C2H5Br(l)
C2H5Br(g)
C3H5Br(3B1Pl)
C3H5Br(3B1Pg)
C3H5Br(c1B1P g)
C3H5Br(t1B1Pg)
C3H6Br2(12Dg)
C3H6Br2(13Dl)
C3H7Br(1BPl)
C3H7Br(1BPg)
C3H7Br(2BPg)
C3H7Br(2BPAg)
C4H8Br2(12Dg)
C4H8Br2(14Dl)
C4H8Br2(23Dg)
C4H9Br(1B2Ml)
C4H9Br(1BBl)
C4H9Br(1BBg)
C4H9Br(2B2Mg)
C4H9Br(2BBg)
C5H10Br2(23B2Mg)
C5H11Br(1B3Ml)
C5H11Br(1BPl)
C5H11Br(1BPg)
C5H11Br(2BPg)
C6H3Br3(135T BBg)
C6H4Br2(12DBBg)
C6H4Br2(14DBBg)
C6H4Br2(MDBg)
C6H5Br(BBZl)
C6H5Br(BBZg)
C6H13Br(1BHl)
C7H7Br(P BT g)
C7H15Br(1BHl)
C7H15Br(BRP g)
C8H17Br(1BOl)
C10H7Br(BRNg)
C12H8Br2(22'DB11'BP g)
C12H8Br2(23DB11'BP g)
C12H9Br(2B11'BP g)
C12H9Br(3B11'BP g)
C12H9Br(4B11'BP g)
C12H25Br(1BDl)
C16H33Br(1BHl)
CHBrCl2(BDCMg)
CHBr2Cl(DBCg)
CH2BrCl(BCMg)
C2H4BrCl(1B2Cl)
CHBrClF(BCFMg)
C2HBrClF3(HT Hg)
CHBrF2(BFMg)
CHBr2F(DBFMg)
CH2BrF(g)
CHBrI2(g)
CHBr2I(g)
CHBr2I(DBIMg)
CH2BrI(g)
C2H3BrO(BEg)
C2H3BrO2(g)
C7H5BrO2
CH3CDO(g)
C6H5CH3(a)
C6H5C2H5(a)
C6H5C3H7(a)
C6H5C4H9(a)
C6H5C5H11(a)
C6H5C6H13(a)
C6H5C7H15(a)
C6H5C8H17(a)
CH3CO2(-a)
CH3CONH2(a)
CH2COO(P GLY)
C2H2COO(P PLAC)
C3H6COO(P BLAC)
C4H8COO(P VLAC)
C5H10COO(P CLAC)
C6H4COO(P O14BENZ)
C10H21COO(P ULAC)
C12H24COO(P T LAC)
C14H28COO(P PLAC)
CH3COO(-a)
C2H5COO(-a)
C3H7COO(-a)
C4H9COO(-a)
C5H11COO(-a)
C6H13COO(-a)
C7H15COO(-a)
CH3COOCs(ia)
CH3COOH(a)
C2H5COOH(a)
C3H7COOH(a)
C4H9COOH(a)
C5H11COOH(a)
C6H13COOH(a)
C7H15COOH(a)
CH2(COOH)NH3Cl(ia)
CH3COOK(ia)
CH3COORb(ia)
C2H6Cd(l)
C2H6Cd(g)
CHCl(g)
CHCl2(g)
CHCl3(l)
CHCl3(g)
CH2Cl(g)
CH2Cl2(l)
CH2Cl2(g)
CH3Cl(l)
CH3Cl(g)
CH3Cl(a)
C2HCl(g)
C2HCl3(l)
C2HCl3(g)
C2HCl4(1122T CEg)
C2HCl4(1222T CEg)
C2HCl5
C2HCl5(g)
C2H2Cl2(11Dl)
C2H2Cl2(11DCEg)
C2H2Cl2(12Dg)
C2H2Cl2(C12Dl)
C2H2Cl2(T 12Yl)
C2H2Cl2(c12DCEg)
C2H2Cl2(t12DCEg)
C2H2Cl3(112T CEg)
C2H2Cl3(122T CEg)
C2H2Cl3(222T CEg)
C2H2Cl4(1112T CEg)
C2H2Cl4(1122T l)
C2H2Cl4(1122T g)
C2H3Cl(g)
C2H3Cl(CEEg)
C2H3Cl(CEYg)
C2H3Cl2(11DCEg)
C2H3Cl2(12DCEg)
C2H3Cl2(22DCEg)
C2H3Cl3(g)
C2H3Cl3(111T l)
C2H3Cl3(112T l)
C2H3Cl3(112T g)
C2H4Cl(1CEg)
C2H4Cl(2CEg)
C2H4Cl2(g)
C2H4Cl2(11Dl)
C2H4Cl2(11Dg)
C2H4Cl2(12Dl)
C2H4Cl2(12Dg)
C2H5Cl(CEAl)
C2H5Cl(CEAg)
C3H3Cl(PRCg)
C3H4Cl2(23DCP g)
C3H4Cl4(1113T l)
C3H5Cl(2CP g)
C3H5Cl(3C1P g)
C3H5Cl3(111T CP l)
C3H5Cl3(111T CP g)
C3H5Cl3(123T g)
C3H6Cl2(11DCP l)
C3H6Cl2(11DCP g)
C3H6Cl2(12Dg)
C3H6Cl2(13Dl)
C3H6Cl2(13Dg)
C3H6Cl2(22DCP g)
C3H7Cl(1CP l)
C3H7Cl(1CP Ag)
C3H7Cl(2CP g)
C4HCl5(t11234PC13Bg)
C4H2Cl4(1123T C13Bg)
C4H2Cl4(1144T C13Bg)
C4H3Cl3(112T C13Bg)
C4H4Cl2(23DC13Bg)
C4H4Cl2(cc14DC13Bg)
C4H4Cl2(ct14DC13Bg)
C4H4Cl2(tt14DC13Bg)
C4H5Cl(CP Rg)
C4H5Cl(c1C13Bg)
C4H5Cl(t1C13Bg)
C4H6Cl2(13DCLg)
C4H6Cl2(14DICg)
C4H6Cl2(34DICg)
C4H7Cl3(111T CBl)
C4H7Cl3(111T CBg)
C4H8Cl2(11DCBl)
C4H8Cl2(11DCBg)
C4H8Cl2(14DCB)
C4H9Cl(1C2Ml)
C4H9Cl(1C2MP g)
C4H9Cl(1CBl)
C4H9Cl(1CBg)
C4H9Cl(2C2MP g)
C4H9Cl(2CBg)
C4H9Cl(2RSCBg)
C5H2Cl3(g)
C5H9Cl(CCPg)
C5H9Cl3(111T CP l)
C5H9Cl3(111T CP g)
C5H10Cl2(11DCP l)
C5H10Cl2(11DCP g)
C5H11Cl(1C22DMP g)
C5H11Cl(1C2RSMBg)
C5H11Cl(1C3Ml)
C5H11Cl(1C3Mg)
C5H11Cl(1CP l)
C5H11Cl(1CP g)
C5H11Cl(2C2Mg)
C5H11Cl(2RSC3MBg)
C5H11Cl(2RSCP g)
C5H11Cl(3CP g)
C6HCl5(PCB)
C6HCl5(PCBl)
C6HCl5(PCBg)
C6H2Cl4(1234T CBg)
C6H2Cl4(1235T CBg)
C6H2Cl4(1245T CBg)
C6H3Cl3(123T CBg)
C6H3Cl3(124T CBg)
C6H3Cl3(135T CBg)
C6H4Cl2(12Dl)
C6H4Cl2(12Dg)
C6H4Cl2(13Dl)
C6H4Cl2(13Dg)
C6H4Cl2(14D)
C6H4Cl2(14Dl)
C6H4Cl2(14Dg)
C6H5Cl(CBZl)
C6H5Cl(CBZg)
C6H11Cl(CCHg)
C6H11Cl3(111T CHl)
C6H11Cl3(111T CHg)
C6H12Cl2(11DCHl)
C6H12Cl2(11DCHg)
C6H13Cl(1C22DMBg)
C6H13Cl(1C2EBg)
C6H13Cl(1C2RS3DMBg)
C6H13Cl(1C2RSMP g)
C6H13Cl(1C33DMBg)
C6H13Cl(1C3RSMP g)
C6H13Cl(1C4MP g)
C6H13Cl(1CHg)
C6H13Cl(2C23DMBg)
C6H13Cl(2C2MP g)
C6H13Cl(2RSC33DMBg)
C6H13Cl(2RSC3RSMP g)
C6H13Cl(2RSC4MP g)
C6H13Cl(2RSCHg)
C6H13Cl(3C3MP g)
C6H13Cl(3RSC2MP g)
C6H13Cl(3RSCHg)
C7H5Cl3(BT Cg)
C7H6Cl2(24DCT g)
C7H6Cl2(BZYg)
C7H7Cl(1C4Ml)
C7H7Cl(BYCg)
C7H7Cl(OCT g)
C7H13Cl3(111T CHl)
C7H13Cl3(111T CHg)
C7H14Cl2(11DCHl)
C7H14Cl2(11DCHg)
C7H15Cl(1C223T MBg)
C7H15Cl(1C22DMP g)
C7H15Cl(1C2E2MBg)
C7H15Cl(1C2RS33T MBg)
C7H15Cl(1C2RS3RSDMP g)
C7H15Cl(1C2RS4DMP g)
C7H15Cl(1C2RSE3MBg)
C7H15Cl(1C2RSEPg)
C7H15Cl(1C2RSMHg)
C7H15Cl(1C33DMP g)
C7H15Cl(1C3EPg)
C7H15Cl(1C3RS4DMP g)
C7H15Cl(1C3RSMHg)
C7H15Cl(1C44DMP g)
C7H15Cl(1C4RSMHg)
C7H15Cl(1C5MHg)
C7H15Cl(1CHg)
C7H15Cl(2C233T MBg)
C7H15Cl(2C23RSDMP g)
C7H15Cl(2C24DMP g)
C7H15Cl(2C2MHg)
C7H15Cl(2RSC33DMP g)
C7H15Cl(2RSC3EPg)
C7H15Cl(2RSC3RS4DMP g)
C7H15Cl(2RSC3RSMHg)
C7H15Cl(2RSC4RSMHg)
C7H15Cl(2RSC5MHg)
C7H15Cl(2RSCHg)
C7H15Cl(3C23RSDMP g)
C7H15Cl(3C24DMP g)
C7H15Cl(3C3EPg)
C7H15Cl(3C3RSMHg)
C7H15Cl(3RSC2MHg)
C7H15Cl(3RSC4RSMHg)
C7H15Cl(3RSC5MHg)
C7H15Cl(3RSCHg)
C7H15Cl(4CHg)
C8H6Cl2(25Dl)
C8H6Cl4(1245T 36B)
C8H6Cl4(1245T 36Bl)
C8H9Cl(1C2El)
C8H9Cl(1C4El)
C8H9Cl(1CBl)
C8H15Cl3(111T COl)
C8H15Cl3(111T COg)
C8H16Cl2(11DCOl)
C8H16Cl2(11DCOg)
C8H17Cl(1C2233T MBg)
C8H17Cl(1C223RST MP g)
C8H17Cl(1C223T MP g)
C8H17Cl(1C22DEBg)
C8H17Cl(1C22DMHg)
C8H17Cl(1C2IP 3MBg)
C8H17Cl(1C2P Pg)
C8H17Cl(1C2RS33T MP g)
C8H17Cl(1C2RS3RS4T MP g)
C8H17Cl(1C2RS3RSDMHg)
C8H17Cl(1C2RS5DMHg)
C8H17Cl(1C2RSE23DMBg)
C8H17Cl(1C2RSE2MPg)
C8H17Cl(1C2RSE33DMBg)
C8H17Cl(1C2RSE3RSMPg)
C8H17Cl(1C2RSE4MPg)
C8H17Cl(1C2RSEHg)
C8H17Cl(1C2RSIP Pg)
C8H17Cl(1C2RSMHg)
C8H17Cl(1C33DMHg)
C8H17Cl(1C3E2RSMPg)
C8H17Cl(1C3E3MPg)
C8H17Cl(1C3RS5DMHg)
C8H17Cl(1C3RSE4MPg)
C8H17Cl(1C3RSEHg)
C8H17Cl(1C3RSMHg)
C8H17Cl(1C44DMHg)
C8H17Cl(1C4EHg)
C8H17Cl(1C4RS5DMHg)
C8H17Cl(1C4RSMHg)
C8H17Cl(1C55DMHg)
C8H17Cl(1C5RSMHg)
C8H17Cl(1C6MHg)
C8H17Cl(1COl)
C8H17Cl(1COg)
C8H17Cl(2C23RSDMHg)
C8H17Cl(2C24RSDMHg)
C8H17Cl(2C25DMHg)
C8H17Cl(2C2MHg)
C8H17Cl(2C3E2MPg)
C8H17Cl(2RSC334T MP g)
C8H17Cl(2RSC33DMHg)
C8H17Cl(2RSC3E3MPg)
C8H17Cl(2RSC3RS44T MP g)
C8H17Cl(2RSC3RS4RSDMHg)
C8H17Cl(2RSC3RS5DMHg)
C8H17Cl(2RSC3RSE4MPg)
C8H17Cl(2RSC3RSEHg)
C8H17Cl(2RSC3RSMHg)
C8H17Cl(2RSC44DMHg)
C8H17Cl(2RSC4EHg)
C8H17Cl(2RSC4RSMHg)
C8H17Cl(2RSC55DMHg)
C8H17Cl(2RSC5RSMHg)
C8H17Cl(2RSC6MHg)
C8H17Cl(2RSCOg)
C8H17Cl(3C223RST MP g)
C8H17Cl(3C3E2MPg)
C8H17Cl(3C3EHg)
C8H17Cl(3C3RS5DMHg)
C8H17Cl(3C3RSMHg)
C8H17Cl(3RSC224T MP g)
C8H17Cl(3RSC22DMHg)
C8H17Cl(3RSC23DMHg)
C8H17Cl(3RSC24RSDMHg)
C8H17Cl(3RSC25DMHg)
C8H17Cl(3RSC2MHg)
C8H17Cl(3RSC44DMHg)
C8H17Cl(3RSC4EHg)
C8H17Cl(3RSC4RSMHg)
C8H17Cl(3RSC55DMHg)
C8H17Cl(3RSC5RSMHg)
C8H17Cl(3RSC6MHg)
C8H17Cl(3RSCOg)
C8H17Cl(4C4MHg)
C8H17Cl(4RSC2MHg)
C8H17Cl(4RSC3RSMHg)
C8H17Cl(4RSCOg)
C9H17Cl3(111T CNl)
C9H17Cl3(111T CNg)
C9H18Cl2(11DCNl)
C9H18Cl2(11DCNg)
C10H7Cl(1CNl)
C10H7Cl(1CNg)
C10H7Cl(2CN)
C10H7Cl(2CNl)
C10H7Cl(2CNg)
C10H19Cl3(111T CDl)
C10H19Cl3(111T CDg)
C10H20Cl2(11DCDl)
C10H20Cl2(11DCDg)
C11H21Cl3(111T CUl)
C11H21Cl3(111T CUg)
C11H22Cl2(11DCUl)
C11H22Cl2(11DCUg)
C12HCl9(234562'3'4'5'g)
C12HCl9(234562'3'4'6'g)
C12HCl9(234562'3'5'6'g)
C12H2Cl8(23452'3'4'5'g)
C12H2Cl8(23452'3'4'6'g)
C12H2Cl8(23452'3'5'6'g)
C12H2Cl8(234562'3'4'g)
C12H2Cl8(234562'3'6'g)
C12H2Cl8(234562'4'5'g)
C12H2Cl8(234562'4'6'g)
C12H2Cl8(234563'4'5'g)
C12H2Cl8(234563'5'6'g)
C12H2Cl8(23462'3'4'6'g)
C12H2Cl8(23562'3'4'6'g)
C12H2Cl8(23562'3'5'6'g)
C12H3Cl7(23452'3'4'HCBg)
C12H3Cl7(23452'3'5'HCBg)
C12H3Cl7(23452'3'6'HCBg)
C12H3Cl7(23452'4'5'HCBg)
C12H3Cl7(23452'4'6'HCBg)
C12H3Cl7(23453'4'5'HCBg)
C12H3Cl7(234562'3'HCBg)
C12H3Cl7(234562'4'HCBg)
C12H3Cl7(234562'5'HCBg)
C12H3Cl7(234562'6'HCBg)
C12H3Cl7(234563'4'HCBg)
C12H3Cl7(234563'5'HCBg)
C12H3Cl7(23462'3'4'HCBg)
C12H3Cl7(23462'3'5'HCBg)
C12H3Cl7(23462'3'6'HCBg)
C12H3Cl7(23462'4'5'HCBg)
C12H3Cl7(23462'4'6'HCBg)
C12H3Cl7(23463'4'5'HCBg)
C12H3Cl7(23562'3'4'HCBg)
C12H3Cl7(23562'3'5'HCBg)
C12H3Cl7(23562'3'6'HCBg)
C12H3Cl7(23562'4'5'HCBg)
C12H3Cl7(23562'4'6'HCBg)
C12H3Cl7(23563'4'5'HCBg)
C12H4Cl6(2342'3'4'HCBPg)
C12H4Cl6(2342'3'5'HCBPg)
C12H4Cl6(2342'3'6'HCBPg)
C12H4Cl6(2342'4'6'HCBPg)
C12H4Cl6(2343'4'5'HCBPg)
C12H4Cl6(23452'3'HCBPg)
C12H4Cl6(23452'4'HCBPg)
C12H4Cl6(23452'5'HCBPg)
C12H4Cl6(23452'6'HCBPg)
C12H4Cl6(23453'4'HCBPg)
C12H4Cl6(23453'5'HCBPg)
C12H4Cl6(234562'HCBPg)
C12H4Cl6(23462'3'HCBPg)
C12H4Cl6(23462'4'HCBPg)
C12H4Cl6(23462'5'HCBPg)
C12H4Cl6(23462'6'HCBPg)
C12H4Cl6(23463'5'HCBPg)
C12H4Cl6(2352'3'5'HCBPg)
C12H4Cl6(2352'3'6'HCBPg)
C12H4Cl6(2352'4'5'HCBPg)
C12H4Cl6(2352'4'6'HCBPg)
C12H4Cl6(2353'4'5'HCBPg)
C12H4Cl6(23562'3'HCBPg)
C12H4Cl6(23562'4'HCBPg)
C12H4Cl6(23562'5'HCBPg)
C12H4Cl6(23562'6'HCBPg)
C12H4Cl6(23563'5'HCBPg)
C12H4Cl6(2362'3'4'HCBPg)
C12H4Cl6(2362'3'6'HCBPg)
C12H4Cl6(2363'4'5'HCBPg)
C12H4Cl6(2452'3'4'HCBPg)
C12H4Cl6(2452'3'5'HCBPg)
C12H4Cl6(2452'3'6'HCBPg)
C12H4Cl6(2452'4'5'HCBPg)
C12H4Cl6(2452'4'6'HCBPg)
C12H4Cl6(2453'4'5'HCBPg)
C12H4Cl6(2462'3'6'HCBPg)
C12H4Cl6(2462'4'6'HCBPg)
C12H4Cl6(2463'4'5'HCBPg)
C12H4Cl6(3453'4'5'HCBPg)
C12H5Cl5(2342'3'PCBg)
C12H5Cl5(2342'4'PCBg)
C12H5Cl5(2342'5'PCBg)
C12H5Cl5(2342'6'PCBg)
C12H5Cl5(2343'4'PCBg)
C12H5Cl5(2343'5'PCBg)
C12H5Cl5(23452'PCBg)
C12H5Cl5(23456PCBg)
C12H5Cl5(2352'3'PCBg)
C12H5Cl5(2352'4'PCBg)
C12H5Cl5(2352'5'PCBg)
C12H5Cl5(2352'6'PCBg)
C12H5Cl5(2353'5'PCBg)
C12H5Cl5(2362'4'PCBg)
C12H5Cl5(2362'5'PCBg)
C12H5Cl5(2363'4'PCBg)
C12H5Cl5(2452'4'PCBg)
C12H5Cl5(2452'5'PCBg)
C12H5Cl5(2452'6'PCBg)
C12H5Cl5(2453'4'*PCBg)
C12H5Cl5(2453'4'PCBg)
C12H5Cl5(2453'5'PCBg)
C12H5Cl5(2462'3'PCBg)
C12H5Cl5(2462'4'PCBg)
C12H5Cl5(2462'5'PCBg)
C12H5Cl5(2462'6'PCBg)
C12H5Cl5(2463'4'PCBg)
C12H5Cl5(2463'5'PCBg)
C12H5Cl5(3452'3'PCBg)
C12H5Cl5(3452'4'PCBg)
C12H5Cl5(3453'4'PCBg)
C12H5Cl5(3462'3'PCBg)
C12H6Cl4(232'3'T CBg)
C12H6Cl4(232'4'T CBg)
C12H6Cl4(232'5'T CBg)
C12H6Cl4(232'6'T CBg)
C12H6Cl4(233'4'T CBg)
C12H6Cl4(233'5'T CBg)
C12H6Cl4(2342'T CBg)
C12H6Cl4(2345T CBg)
C12H6Cl4(2346T CBg)
C12H6Cl4(2356T CBg)
C12H6Cl4(242'4'T CBg)
C12H6Cl4(242'5'T CBg)
C12H6Cl4(242'6'T CBg)
C12H6Cl4(243'4'T CBg)
C12H6Cl4(243'5'T CBg)
C12H6Cl4(252'5'T CBg)
C12H6Cl4(252'6'T CBg)
C12H6Cl4(253'4'T CBg)
C12H6Cl4(253'5'T CBg)
C12H6Cl4(262'6'T CBg)
C12H6Cl4(263'4'T CBg)
C12H6Cl4(263'5'T CBg)
C12H6Cl4(343'4'T CBg)
C12H6Cl4(343'5'T CBg)
C12H6Cl4(353'5'T CBg)
C12H7Cl3(232'T CBPg)
C12H7Cl3(234T CBPg)
C12H7Cl3(235T CBPg)
C12H7Cl3(236T CBPg)
C12H7Cl3(245T CBPg)
C12H7Cl3(246T CBPg)
C12H7Cl3(345T CBPg)
C12H8Cl2(22'DCBg)
C12H8Cl2(22D)
C12H8Cl2(23'DCBg)
C12H8Cl2(23DCBg)
C12H8Cl2(24'DCBg)
C12H8Cl2(24DCBg)
C12H8Cl2(25DCBg)
C12H8Cl2(26DCBg)
C12H8Cl2(33'DCBg)
C12H8Cl2(34'DCBg)
C12H8Cl2(34DCBg)
C12H8Cl2(35DCBg)
C12H8Cl2(44'DCBg)
C12H8Cl2(44D)
C12H9Cl(2CBg)
C12H9Cl(3CBg)
C12H9Cl(4CBg)
C12H23Cl3(111T CDl)
C12H23Cl3(111T CDg)
C12H24Cl2(11DCDl)
C12H24Cl2(11DCDg)
C12H25Cl(1CDl)
C13H25Cl3(111T CT g)
C13H26Cl2(11DCT l)
C13H26Cl2(11DCT g)
C14H27Cl3(111T CT g)
C14H28Cl2(11DCT l)
C14H28Cl2(11DCT g)
C15H29Cl3(111T CP g)
C15H30Cl2(11DCP g)
C16H31Cl3(111T CHg)
C16H32Cl2(11DCHg)
C17H33Cl3(111T CHg)
C17H34Cl2(11DCHg)
C18H35Cl3(111T COg)
C18H36Cl2(11DCOg)
C18H37Cl(1COl)
C19H37Cl3(111T CNg)
C19H38Cl2(11DCNg)
C20H39Cl3(111T CIg)
C20H40Cl2(11DCIg)
CHClBr2(CDBg)
CHCl2Br(g)
CH2ClBr(CBMg)
CHClBrI(g)
CHClF2(0.01bar)
CHClF2(0.01barg)
CHClF2(0.05bar)
CHClF2(0.05barg)
CHClF2(0.1bar)
CHClF2(0.1barg)
CHClF2(0.5bar)
CHClF2(0.5barg)
CHClF2(100bar)
CHClF2(10bar)
CHClF2(10barg)
CHClF2(150bar)
CHClF2(1bar)
CHClF2(1barg)
CHClF2(200bar)
CHClF2(20bar)
CHClF2(20barg)
CHClF2(300bar)
CHClF2(30bar)
CHClF2(30barg)
CHClF2(400bar)
CHClF2(40bar)
CHClF2(40barg)
CHClF2(45bar)
CHClF2(45barg)
CHClF2(500bar)
CHClF2(590bar)
CHClF2(5bar)
CHClF2(5barg)
CHClF2(60bar)
CHClF2(70bar)
CHClF2(80bar)
CHClF2(90bar)
CHClF2(CDFg)
CHCl2F(FREg)
CH2ClF(g)
C2HClF2(1C22Dg)
C2HClF4(0.01bar)
C2HClF4(0.01barg)
C2HClF4(0.05bar)
C2HClF4(0.05barg)
C2HClF4(0.1bar)
C2HClF4(0.1barg)
C2HClF4(0.5bar)
C2HClF4(0.5barg)
C2HClF4(100bar)
C2HClF4(10bar)
C2HClF4(10barg)
C2HClF4(150bar)
C2HClF4(1bar)
C2HClF4(1barg)
C2HClF4(200bar)
C2HClF4(20bar)
C2HClF4(20barg)
C2HClF4(2C1112T FEg)
C2HClF4(300bar)
C2HClF4(30bar)
C2HClF4(30barg)
C2HClF4(400bar)
C2HClF4(45bar)
C2HClF4(50bar)
C2HClF4(5bar)
C2HClF4(5barg)
C2HClF4(60bar)
C2HClF4(70bar)
C2HClF4(80bar)
C2HClF4(90bar)
C2HCl2F3(0.01bar)
C2HCl2F3(0.01barg)
C2HCl2F3(0.05bar)
C2HCl2F3(0.05barg)
C2HCl2F3(0.1bar)
C2HCl2F3(0.1barg)
C2HCl2F3(0.5bar)
C2HCl2F3(0.5barg)
C2HCl2F3(100bar)
C2HCl2F3(10bar)
C2HCl2F3(10barg)
C2HCl2F3(150bar)
C2HCl2F3(1bar)
C2HCl2F3(1barg)
C2HCl2F3(200bar)
C2HCl2F3(20bar)
C2HCl2F3(20barg)
C2HCl2F3(22DC111T FEg)
C2HCl2F3(300bar)
C2HCl2F3(30bar)
C2HCl2F3(30barg)
C2HCl2F3(400bar)
C2HCl2F3(45bar)
C2HCl2F3(50bar)
C2HCl2F3(5bar)
C2HCl2F3(5barg)
C2HCl2F3(60bar)
C2HCl2F3(70bar)
C2HCl2F3(80bar)
C2HCl2F3(90bar)
C2H2ClF3(2C111T FEg)
C2H2Cl2F2(11DC22DFEg)
C2H2Cl2F2(12DC11DFEg)
C2H2Cl3F(111T CFg)
C2H3ClF2(0.01bar)
C2H3ClF2(0.01barg)
C2H3ClF2(0.05bar)
C2H3ClF2(0.05barg)
C2H3ClF2(0.1bar)
C2H3ClF2(0.1barg)
C2H3ClF2(0.5bar)
C2H3ClF2(0.5barg)
C2H3ClF2(100bar)
C2H3ClF2(10bar)
C2H3ClF2(10barg)
C2H3ClF2(150bar)
C2H3ClF2(1C11Dl)
C2H3ClF2(1C11Dg)
C2H3ClF2(1bar)
C2H3ClF2(1barg)
C2H3ClF2(200bar)
C2H3ClF2(20bar)
C2H3ClF2(20barg)
C2H3ClF2(300bar)
C2H3ClF2(30bar)
C2H3ClF2(30barg)
C2H3ClF2(35bar)
C2H3ClF2(35barg)
C2H3ClF2(400bar)
C2H3ClF2(500bar)
C2H3ClF2(50bar)
C2H3ClF2(5bar)
C2H3ClF2(5barg)
C2H3ClF2(600bar)
C2H3ClF2(60bar)
C2H3ClF2(70bar)
C2H3ClF2(80bar)
C2H3ClF2(90bar)
C2H3Cl2F(0.01bar)
C2H3Cl2F(0.01barg)
C2H3Cl2F(0.05bar)
C2H3Cl2F(0.05barg)
C2H3Cl2F(0.1bar)
C2H3Cl2F(0.1barg)
C2H3Cl2F(0.5bar)
C2H3Cl2F(0.5barg)
C2H3Cl2F(1000bar)
C2H3Cl2F(100bar)
C2H3Cl2F(10bar)
C2H3Cl2F(10barg)
C2H3Cl2F(11DC1FEg)
C2H3Cl2F(1bar)
C2H3Cl2F(1barg)
C2H3Cl2F(200bar)
C2H3Cl2F(20bar)
C2H3Cl2F(20barg)
C2H3Cl2F(300bar)
C2H3Cl2F(30bar)
C2H3Cl2F(30barg)
C2H3Cl2F(400bar)
C2H3Cl2F(40bar)
C2H3Cl2F(40barg)
C2H3Cl2F(500bar)
C2H3Cl2F(50bar)
C2H3Cl2F(5bar)
C2H3Cl2F(5barg)
C2H3Cl2F(600bar)
C2H3Cl2F(60bar)
C2H3Cl2F(700bar)
C2H3Cl2F(70bar)
C2H3Cl2F(800bar)
C2H3Cl2F(80bar)
C2H3Cl2F(900bar)
C2H3Cl2F(90bar)
C2H4ClF(1C1FEg)
C2H4ClF(1C2FEg)
C3H2Cl3F3(333T l)
C3H3ClF5(11333Pl)
C3H3Cl2F3(111T l)
C3H4ClF3(1C333T l)
C6H3Cl2F(13DC2FBg)
C6H4ClF(1C2FBg)
C6H4ClF(1C3FBg)
C6H4ClF(1C4FBg)
C7H3Cl2F3(24DCBg)
C7H4ClF3(PCBg)
C7H3ClF3NO2(43CNBg)
CHClI2(g)
CHCl2I(g)
CHCl2I(DCIMg)
CH2ClI(g)
CH6ClN
C6H5Cl2N(34DCAg)
C6H6ClN(MCAg)
C6H6ClN(OCAg)
C6H6ClN(PCAg)
C6H3ClN2O4(124CDBg)
C6H3Cl2NO2(124DCNg)
C6H4ClNO2(MCBg)
C6H4ClNO2(OCBg)
C6H4ClNO2(PCBg)
C7H3Cl2NO(34DCP g)
C2HCl3O(DCCg)
C2HCl3O(T CAg)
C2HCl3O2(T AAg)
C2H2Cl2O(CACg)
C2H2Cl2O(DICg)
C2H2Cl2O2(DCAg)
C2H3ClO(CEALg)
C2H3ClO2(CAAg)
C2H3ClO2(MCFg)
C2H4Cl2O(BCEg)
C2H5ClO(CHEg)
C2H5ClO(CLE2g)
C2H7ClO(DMEg)
C3H4Cl2O(13D2Pl)
C3H5ClO(g)
C3H5ClO2(3CP l)
C3H5ClO2(ECFg)
C3H5ClO2(MCAg)
C3H7ClO2(3C12P l)
C4H7ClO2(4CBl)
C4H7ClO2(ECAg)
C5H2Cl2O(g)
C5H3Cl3O(g)
C6HCl5O(PCP)
C6HCl5O(PCPl)
C6HCl5O(PCPg)
C6H2Cl3O(g)
C6H2Cl3O3(Ag)
C6H2Cl3O3(Bg)
C6H2Cl4O(2345T CP g)
C6H2Cl4O2(2356T 14B)
C6H2Cl4O2(2356T 14Bl)
C6H3Cl3O(234T CP g)
C6H3Cl3O(235T CP g)
C6H3Cl3O(236T CP g)
C6H3Cl3O(245T CP g)
C6H3Cl3O(246T CP g)
C6H3Cl3O(246T CP HEg)
C6H3Cl3O(256T CP g)
C6H3Cl3O(345T CP g)
C6H3Cl3O(346T CP g)
C6H3Cl3O(356T CP g)
C6H3Cl3O(456T CP g)
C6H3Cl3O2(g)
C6H3Cl3O2(235T 14B)
C6H3Cl3O2(235T 14Bl)
C6H4ClO(g)
C6H4ClO(24g)
C6H4ClO(25g)
C6H4Cl2O(23DCP g)
C6H4Cl2O(23DCP HEg)
C6H4Cl2O(24DCP g)
C6H4Cl2O(24DCP HEg)
C6H4Cl2O(25DCP g)
C6H4Cl2O(25DCP HEg)
C6H4Cl2O(26DCP g)
C6H4Cl2O(34DCP g)
C6H4Cl2O(34DCP HEg)
C6H4Cl2O(35DCP g)
C6H4Cl2O(36DCP g)
C6H4Cl2O(45DCP g)
C6H4Cl2O(46DCP g)
C6H4Cl2O(56DCP g)
C6H4Cl2O2(23D14B)
C6H4Cl2O2(23D14Bl)
C6H4Cl2O2(25D14B)
C6H4Cl2O2(25D14Bl)
C6H4Cl2O2(26D14B)
C6H4Cl2O2(26D14Bl)
C6H5ClO(3CP )
C6H5ClO(3CP l)
C6H5ClO(4CP )
C6H5ClO(4CP l)
C6H5ClO(MCP g)
C6H5ClO(OCP g)
C6H5ClO(PCPg)
C6H5ClO(m'CPg)
C6H5ClO(mCPg)
C6H5ClO(o'CP g)
C6H5ClO(pCP g)
C6H5ClO2(2C14B)
C6H5ClO2(2C14Bl)
C6H11ClO2(E4Cl)
C6H11ClO2(P3Cl)
C7H4Cl2O(MCCg)
C7H5ClO2(2CB)
C7H5ClO2(3CB)
C7H5ClO2(4CB)
C7H13ClO2(B3Cl)
C7H13ClO2(P2Cl)
C8H4Cl2O2(IPCg)
C8H15ClO2(3MBl)
C12H4Cl4O2
C12H4Cl4O2(g)
C12H4Cl4O2(2378T CD14DOg)
C12H4Cl4O3(g)
C12H4Cl5O2(g)
C12H4Cl6O2(HCBDg)
C12H5Cl3O3(g)
C12H5Cl4O2(g)
C12H5Cl4O3(131g)
C12H5Cl4O3(132g)
C12H5Cl5O2(g)
C12H6Cl4O2(g)
C12H7ClO2(1CDB14DOg)
C12H7ClO2(2CDB14DOg)
C6HCl3OH(g)
CH3Cl3Si(l)
CH4Cl2Si(MDSg)
CH5ClSi(MECg)
C2H6Cl2Si(l)
C2H6Cl2Si(DMDg)
C2H6Cl2Si(DMSg)
C2H7ClSi(DIMg)
C3H9ClSi(l)
C3H9ClSi(g)
C12H10Cl2Si(DPDCSg)
CHD3(g)
CH2D2(g)
CH3D(g)
C4H2D4(13B1144Dg)
C4H4D2(13B23Dg)
C10H4D4(A)
C10H4D4(B)
C10H4D4(N1458Dg)
C10H4D4(N2367Dg)
CHDBr2(g)
CHD2Br(g)
CH2DBr(g)
CHD2Cl(g)
CH2DCl(g)
CHDF2(g)
CHD2F(g)
CH2DF(g)
CHD(H3)2(T g)
CHD2(H3)(T g)
CH2D(H3)(T g)
CHD2I(g)
CH2DI(g)
C5HD4N(PYR2356Dg)
C5H2D3N(PYR246Dg)
C5H2D3N(PYR345Dg)
C5H3D2N(PYR26Dg)
C5H3D2N(PYR35Dg)
C5H4DN(PYR2Dg)
C5H4DN(PYR3Dg)
C5H4DN(PYR4Dg)
CHD2NO2(DDNMl)
CHD2NO2(DDNMg)
CHDO(MDMALg)
CHD3O(T DMg)
CH3DO(MDMg)
C2HDO(MDKNg)
C2HDO2(MDEDALl)
C2HDO2(MDEDALg)
C2H3DO(MDEALl)
C2H3DO(MDEALg)
C4HD3O(FUR235Dg)
C4H2D2O(FUR25Dg)
C4H2D2O(FUR34Dg)
C4H3DO(FUR2Dg)
C4H3DO(FUR3Dg)
C4HD3S(T HI234Dg)
C4HD3S(T HI235Dg)
C4H2D2S(T HI23Dg)
C4H2D2S(T HI24Dg)
C4H2D2S(T HI25Dg)
C4H2D2S(T HI34Dg)
C4H3DS(T HI2Dg)
C4H3DS(T HI3Dg)
CHF(g)
CHF2(g)
CHF3(g)
CHF3(0.01bar)
CHF3(0.01barg)
CHF3(0.05bar)
CHF3(0.05barg)
CHF3(0.1bar)
CHF3(0.1barg)
CHF3(0.5bar)
CHF3(0.5barg)
CHF3(1000bar)
CHF3(100bar)
CHF3(10bar)
CHF3(10barg)
CHF3(1200bar)
CHF3(150bar)
CHF3(1bar)
CHF3(1barg)
CHF3(200bar)
CHF3(20bar)
CHF3(20barg)
CHF3(300bar)
CHF3(30bar)
CHF3(30barg)
CHF3(400bar)
CHF3(40bar)
CHF3(40barg)
CHF3(500bar)
CHF3(55bar)
CHF3(5bar)
CHF3(5barg)
CHF3(600bar)
CHF3(60bar)
CHF3(700bar)
CHF3(70bar)
CHF3(800bar)
CHF3(80bar)
CHF3(900bar)
CHF3(90bar)
CH2F(g)
CH2F2(g)
CH2F2(0.01bar)
CH2F2(0.01barg)
CH2F2(0.05bar)
CH2F2(0.05barg)
CH2F2(0.1bar)
CH2F2(0.1barg)
CH2F2(0.5bar)
CH2F2(0.5barg)
CH2F2(100bar)
CH2F2(10bar)
CH2F2(10barg)
CH2F2(150bar)
CH2F2(1bar)
CH2F2(1barg)
CH2F2(200bar)
CH2F2(20bar)
CH2F2(20barg)
CH2F2(300bar)
CH2F2(30bar)
CH2F2(30barg)
CH2F2(400bar)
CH2F2(40bar)
CH2F2(40barg)
CH2F2(500bar)
CH2F2(50bar)
CH2F2(50barg)
CH2F2(5bar)
CH2F2(5barg)
CH2F2(600bar)
CH2F2(700bar)
CH2F2(70bar)
CH2F2(80bar)
CH2F2(90bar)
CH3F(g)
CH3F(a)
CH3F(0.01barg)
CH3F(0.05barg)
CH3F(0.1barg)
CH3F(0.5bar)
CH3F(0.5barg)
CH3F(100bar)
CH3F(10bar)
CH3F(10barg)
CH3F(150bar)
CH3F(1bar)
CH3F(1barg)
CH3F(200bar)
CH3F(20bar)
CH3F(20barg)
CH3F(300bar)
CH3F(30bar)
CH3F(30barg)
CH3F(400bar)
CH3F(40bar)
CH3F(40barg)
CH3F(500bar)
CH3F(50bar)
CH3F(50barg)
CH3F(5bar)
CH3F(5barg)
CH3F(600bar)
CH3F(70bar)
CH3F(80bar)
CH3F(90bar)
C2HF(g)
C2HF3(g)
C2HF4(1222T FEg)
C2HF5(0.01barg)
C2HF5(0.05bar)
C2HF5(0.05barg)
C2HF5(0.1bar)
C2HF5(0.1barg)
C2HF5(0.5bar)
C2HF5(0.5barg)
C2HF5(100bar)
C2HF5(10bar)
C2HF5(10barg)
C2HF5(150bar)
C2HF5(1bar)
C2HF5(1barg)
C2HF5(200bar)
C2HF5(20bar)
C2HF5(20barg)
C2HF5(300bar)
C2HF5(30bar)
C2HF5(30barg)
C2HF5(400bar)
C2HF5(45bar)
C2HF5(500bar)
C2HF5(50bar)
C2HF5(5bar)
C2HF5(5barg)
C2HF5(600bar)
C2HF5(60bar)
C2HF5(70bar)
C2HF5(80bar)
C2HF5(90bar)
C2HF5(PFEg)
C2H2F2(g)
C2H2F2(DFEg)
C2H2F2(c12DFEg)
C2H2F2(t12DFEg)
C2H2F3(112T FEg)
C2H2F3(122T FEg)
C2H2F3(222T FEg)
C2H2F4(0.01bar)
C2H2F4(0.01barg)
C2H2F4(0.05bar)
C2H2F4(0.05barg)
C2H2F4(0.1bar)
C2H2F4(0.1barg)
C2H2F4(0.5bar)
C2H2F4(0.5barg)
C2H2F4(100bar)
C2H2F4(10bar)
C2H2F4(10barg)
C2H2F4(1112T T Fg)
C2H2F4(1122T T Fg)
C2H2F4(150bar)
C2H2F4(1bar)
C2H2F4(1barg)
C2H2F4(200bar)
C2H2F4(20bar)
C2H2F4(20barg)
C2H2F4(300bar)
C2H2F4(30bar)
C2H2F4(30barg)
C2H2F4(35bar)
C2H2F4(35barg)
C2H2F4(400bar)
C2H2F4(500bar)
C2H2F4(50bar)
C2H2F4(5bar)
C2H2F4(5barg)
C2H2F4(600bar)
C2H2F4(60bar)
C2H2F4(700bar)
C2H2F4(70bar)
C2H2F4(80bar)
C2H2F4(90bar)
C2H3F(g)
C2H3F2(11DFEg)
C2H3F2(12DFEg)
C2H3F2(22DFEg)
C2H3F3(0.01barg)
C2H3F3(0.05bar)
C2H3F3(0.05barg)
C2H3F3(0.1bar)
C2H3F3(0.1barg)
C2H3F3(0.5bar)
C2H3F3(0.5barg)
C2H3F3(1000bar)
C2H3F3(100bar)
C2H3F3(10bar)
C2H3F3(10barg)
C2H3F3(111T g)
C2H3F3(112T g)
C2H3F3(150bar)
C2H3F3(1bar)
C2H3F3(1barg)
C2H3F3(200bar)
C2H3F3(20bar)
C2H3F3(20barg)
C2H3F3(300bar)
C2H3F3(30bar)
C2H3F3(30barg)
C2H3F3(400bar)
C2H3F3(45bar)
C2H3F3(500bar)
C2H3F3(50bar)
C2H3F3(5bar)
C2H3F3(5barg)
C2H3F3(600bar)
C2H3F3(60bar)
C2H3F3(700bar)
C2H3F3(70bar)
C2H3F3(800bar)
C2H3F3(80bar)
C2H3F3(900bar)
C2H3F3(90bar)
C2H4F(1FEg)
C2H4F(2FEg)
C2H4F2(0.01bar)
C2H4F2(0.01barg)
C2H4F2(0.05bar)
C2H4F2(0.05barg)
C2H4F2(0.1bar)
C2H4F2(0.1barg)
C2H4F2(0.5bar)
C2H4F2(0.5barg)
C2H4F2(100bar)
C2H4F2(10bar)
C2H4F2(10barg)
C2H4F2(11Dg)
C2H4F2(12DFET g)
C2H4F2(150bar)
C2H4F2(1bar)
C2H4F2(1barg)
C2H4F2(200bar)
C2H4F2(20bar)
C2H4F2(20barg)
C2H4F2(300bar)
C2H4F2(30bar)
C2H4F2(30barg)
C2H4F2(400bar)
C2H4F2(40bar)
C2H4F2(40barg)
C2H4F2(500bar)
C2H4F2(55bar)
C2H4F2(5bar)
C2H4F2(5barg)
C2H4F2(600bar)
C2H4F2(60bar)
C2H4F2(70bar)
C2H4F2(80bar)
C2H4F2(90bar)
C2H5F(EFLg)
C3H6F2(11DFPg)
C3H6F2(22DFPg)
C3H7F(1FPg)
C3H7F(2FPg)
C4H8F2(11DFBl)
C4H8F2(11DFBg)
C4H9F(1FBl)
C4H9F(1FBg)
C5H10F2(11DFPl)
C5H10F2(11DFPg)
C5H11F(1FPl)
C5H11F(1FPg)
C6HF5(PFBl)
C6HF5(PFBg)
C6H2F4(1234T FBg)
C6H2F4(1235T l)
C6H2F4(1235T FBg)
C6H2F4(1245T FBg)
C6H3F3(123T FBg)
C6H3F3(124T FBg)
C6H3F3(125T FBg)
C6H4F2(12Dl)
C6H4F2(12Dg)
C6H4F2(13Dl)
C6H4F2(13Dg)
C6H4F2(14Dl)
C6H4F2(14Dg)
C6H5F(FBZl)
C6H5F(FBZg)
C6H12F2(11DFHl)
C6H12F2(11DFHg)
C6H13F(1FHl)
C6H13F(1FHg)
C7H3F5(23456Pl)
C7H3F5(MPFBg)
C7H5F3(1245T l)
C7H5F3(T FMBg)
C7H7F(2FMBg)
C7H7F(PFT l)
C7H7F(PFT g)
C7H14F2(11DFHl)
C7H14F2(11DFHg)
C7H15F(1FHl)
C7H15F(1FHg)
C8H16F2(11DFOl)
C8H16F2(11DFOg)
C8H17F(1FOl)
C8H17F(1FOg)
C9H18F2(11DFNl)
C9H18F2(11DFNg)
C9H19F(1FNl)
C9H19F(1FNg)
C10H20F2(11DFDl)
C10H20F2(11DFDg)
C10H21F(1FDl)
C10H21F(1FDg)
C11H22F2(11DFUl)
C11H22F2(11DFUg)
C11H23F(1FUl)
C11H23F(1FUg)
C12H8F2(22D)
C12H8F2(44'DFBP g)
C12H8F2(44D)
C12H8F2(44Dl)
C12H24F2(11DFDl)
C12H24F2(11DFDg)
C12H25F(1FDl)
C12H25F(1FDg)
C13H26F2(11DFT l)
C13H26F2(11DFT g)
C13H27F(1FT l)
C13H27F(1FT g)
C14H28F2(11DFT l)
C14H28F2(11DFT g)
C14H29F(1FT l)
C14H29F(1FT g)
C15H30F2(11DFPl)
C15H30F2(11DFPg)
C15H31F(1FPl)
C15H31F(1FPg)
C16H32F2(11DFHl)
C16H32F2(11DFHg)
C16H33F(1FHl)
C16H33F(1FHg)
C17H34F2(11DFHg)
C17H35F(1FHg)
C18H36F2(11DFOg)
C18H37F(1FOg)
C19H38F2(11DFNg)
C19H39F(1FNg)
C20H40F2(11DFIg)
C20H41F(1FIg)
CHFBr2(FDBg)
CHF2Br(DFBg)
CH2FBr(FBMg)
CHFBrI(g)
CHFCl(g)
CHFCl2(g)
CHF2Cl(g)
C2HFCl2(11Fg)
C2HFCl2(CFDg)
C2HFCl2(FDCg)
C2HFCl2(T FDg)
C2HF2Cl(CDFg)
C2HF2Cl(DFCg)
C2HF2Cl(T DFg)
C2H2FCl(11Fg)
C2H2FCl(CFCg)
C2H2FCl(T FCg)
CHFClBr(FCBg)
CHFClI(g)
CHFI2(g)
CHF2I(DFIg)
CHF2I(DFIMg)
CH2FI(g)
C2H2F3I(g)
C7H4F3NO2(3NIBg)
CHFO(g)
C2HF3O2(T FAg)
C2H3FO(g)
C2H3F3O(222T l)
C3H5F3O(333T 1Pl)
C6HF5O(PFP )
C6HF5O(PFP l)
C6HF5O(PFP g)
C6H8F6O(B333T l)
C7HF5O2(PFB)
C7H5FO2(2FB)
C7H5FO2(3FB)
C7H5FO2(4FB)
C3H9Ga(T MGg)
CH(H3)3(T g)
CH2(H3)2(T g)
CH3(H3)(T g)
C16H34HS(P T Sg)
C2H6Hg(DMMl)
CHI3(g)
CH2I2(l)
CH2I2(g)
CH3I(l)
CH3I(g)
C2H2I2(12Dg)
C2H2I2(12DZg)
C2H4I2(12DAg)
C2H5I(EIOl)
C2H5I(EIOg)
C3H5I(3I1Pg)
C3H6I2(12Dg)
C3H7I(1IPg)
C3H7I(2IPg)
C4H8I2(12Dg)
C4H8I2(12DIBg)
C4H9I(+2IBg)
C4H9I(1I2Mg)
C4H9I(2I2MPg)
C4H9I(2IBg)
C4H9I(BIOg)
C5H11I(2IPg)
C5H11I(AIOg)
C6H4I2(12Dl)
C6H4I2(12Dg)
C6H4I2(13Dl)
C6H4I2(14Dl)
C6H5I(IBZl)
C6H5I(IBZg)
C7H7I(1I2Ml)
C7H7I(1I3Ml)
C7H7I(1I4Ml)
C10H7I(1INl)
C10H7I(1INg)
C10H7I(2INl)
C10H7I(2INg)
C6H5IO(2IPl)
C6H5IO(3IPl)
C6H5IO(4IPl)
CHN(l)
CH2N4(g)
CH4N(g)
CH5N(l)
CH5N(g)
CH6N2(l)
CH6N2(g)
C2H2N4(1245T Zg)
C2H3N(ACNg)
C2H3N(ENIl)
C2H3N(MICl)
C2H3N(MICg)
C2H4N4(DICg)
C2H5N(EIEg)
C2H7N(AET l)
C2H7N(DMAl)
C2H7N(DMAg)
C2H7N(EAMg)
C2H8N2(11Dl)
C2H8N2(11DMHg)
C2H8N2(12Dl)
C2H8N2(EDAl)
C2H8N2(EDAg)
C3HN(2PNg)
C3H2N2(MALg)
C3H3N(ANEg)
C3H3N3(135T AZg)
C3H5N(PNEg)
C3H5N(PNIl)
C3H6N6(MELg)
C3H7N(AAMg)
C3H7N(CP Al)
C3H7N(CP Ag)
C3H7N(PRAg)
C3H9N(1APl)
C3H9N(2APl)
C3H9N(2PAg)
C3H9N(PAMg)
C3H9N(T MAl)
C3H9N(T MAg)
(CH3)3N(ia)
C3H10N2(112T MHl)
C3H10N2(112T MHg)
C3H10N2(12Pl)
C3H10N2(12PDAg)
C4H4N2(14B)
C4H4N2(14Bl)
C4H4N2(PYDl)
C4H4N2(PYDg)
C4H4N2(PYMl)
C4H4N2(PYMg)
C4H4N2(PYZl)
C4H4N2(PYZg)
C4H4N2(SNIg)
C4H5N(C2Bl)
C4H5N(CCNg)
C4H5N(MRNg)
C4H5N(PYRl)
C4H5N(PYRg)
C4H5N(T 2Bl)
C4H5N(T CNg)
C4H5N(VINg)
C4H7N(BNIl)
C4H7N(BNIg)
C4H7N(IBNg)
C4H9N(CBAl)
C4H9N(PYRl)
C4H9N(PYRg)
C4H11N(1ABl)
C4H11N(2A2Ml)
C4H11N(2A2Mg)
C4H11N(2ABl)
C4H11N(2MPl)
C4H11N(1ABg)
C4H11N(DEAg)
C4H11N(DEAl)
C4H11N(2ABg)
C4H12N2(12Bl)
C4H12N2(2M12Pl)
C4H12N20(AEEg)
C4H13N3(DEAg)
C5HN(24PDNg)
C5H5N(PYRg)
C5H5N(PYRl)
C5H5N5
C5H5N5(a)
C5H6N2(PDN)
C5H6N2(PDNl)
C5H6N2(PDNg)
C5H7N(2MPg)
C5H7N(3MPg)
C5H7N(NMPg)
C5H7N(T 2Pl)
C5H7N(cP Ng)
C5H8N2(1EIl)
C5H8N2(1EP l)
C5H9N(22Dl)
C5H9N(22DMPNl)
C5H9N(22DMPNg)
C5H9N(2MBNg)
C5H9N(3MBNg)
C5H9N(PNg)
C5H9N(PNl)
C5H11N(CP Al)
C5H11N(NMPl)
C5H11N(PIP l)
C5H13N(1APl)
C5H13N(1APg)
C5H13N(2PAg)
C5H13N(3PAg)
C6H6N2(142DCBg)
C6H6N2(CDBg)
C6H6N2(T DBg)
C6H7N(2MPl)
C6H7N(2MPg)
C6H7N(3MPl)
C6H7N(3MPg)
C6H7N(4MPl)
C6H7N(4MPg)
C6H7N(ANIg)
C6H7N(BAMl)
C6H8N2(12B)
C6H8N2(12Bl)
C6H8N2(13B)
C6H8N2(13Bl)
C6H8N2(14B)
C6H8N2(14Bl)
C6H8N2(16Bl)
C6H8N2(APNg)
C6H8N2(MPAg)
C6H8N2(OPAg)
C6H8N2(PHYg)
C6H8N2(PP Ag)
C6H11N(22DMBNg)
C6H11N(23DMBNg)
C6H11N(2EBNg)
C6H11N(2MPNg)
C6H11N(33DMBNg)
C6H11N(3MPNg)
C6H11N(4MPNg)
C6H11N(DILg)
C6H11N(HENg)
C6H12N2(T EAg)
C6H13N(2MPl)
C6H13N(4MPl)
C6H13N(CHAl)
C6H13N(HXMg)
C6H13N(NMPl)
C6H15N(1AHl)
C6H15N(DIPl)
C6H15N(DIPg)
C6H15N(DNPl)
C6H15N(DNPg)
C6H15N(NHAg)
C6H15N(T EAl)
C6H15N(T EAg)
C6H15N3(NAPg)
C6H16N2(HMAg)
C6H18N4(T ET g)
C7HN(246HNg)
C7H5N(BNIl)
C7H5N(BNIg)
C7H9N(23DMPl)
C7H9N(23DMPg)
C7H9N(24DMPl)
C7H9N(24DMPg)
C7H9N(25DMPl)
C7H9N(25DMPg)
C7H9N(26DMPl)
C7H9N(26DMPg)
C7H9N(2EP l)
C7H9N(2EP g)
C7H9N(2MAl)
C7H9N(34Dl)
C7H9N(34DMPl)
C7H9N(34DMPg)
C7H9N(35Dl)
C7H9N(35DMPg)
C7H9N(3EP l)
C7H9N(3EP g)
C7H9N(3MAl)
C7H9N(4EP l)
C7H9N(4EP g)
C7H9N(4MAl)
C7H9N(BAMg)
C7H9N(MT Og)
C7H9N(MT OLl)
C7H9N(MT OLg)
C7H9N(NMAg)
C7H9N(OT Og)
C7H9N(OT OLl)
C7H9N(PT Og)
C7H9N(PT OLg)
C7H10N2(T DAg)
C7H13N(HNg)
C7H13N(HNIl)
C7H15N(NMCg)
C7H17N(1HAl)
C7H17N(AMHg)
C8H4N2(14Bl)
C8H7N(INDg)
C8H7N(PHAg)
C8H11N(236T MPYRg)
C8H11N(23DMANIg)
C8H11N(246T MPg)
C8H11N(24DMANIg)
C8H11N(25DMANIg)
C8H11N(26DMANIg)
C8H11N(2PEl)
C8H11N(34DMANIg)
C8H11N(35DMANIg)
C8H11N(3EANIg)
C8H11N(4EANIg)
C8H11N(NET g)
C8H11N(NNDg)
C8H11N(OEANg)
C8H15N(ONIl)
C8H17N(NPP l)
C8H19N(1OAl)
C8H19N(DIBl)
C8H19N(DNBl)
C8H19N(DNBg)
C8H19N(NBIl)
C8H19N(NOAg)
C8H23N5(T EP g)
C9HN(2468NT Ng)
C9H7N(IQLg)
C9H7N(QUIl)
C9H21N(1NAl)
C9H21N(1NAg)
C9H21N(T NPl)
C10H9N(QNAg)
C10H19N(DNIl)
C10H23N(1DAl)
C10H23N(NDAg)
C11HN(246810UPNg)
C11H21N(UDNl)
C11H25N(1UAg)
C12H9N(DBP g)
C12H11N(4AB)
C12H11N(PAP g)
C12H12N2(BEZg)
C12H12N2(HYBg)
C12H27N(1DAg)
C12H27N(T NBl)
C13H9N(ACR)
C13H9N(ACRg)
C13H11N(NPMl)
C13H29N(1T Ag)
C14H27N(T DNl)
C14H31N(T DAg)
C15H33N(1PAg)
C16H35N(1HAg)
C17H37N(1HAg)
C18H39N(1OAg)
C18H39N(T NHl)
C19H41N(1NAg)
C20H43N(1IAg)
C24H51N(T NOl)
C27H57N(T NNl)
C30H63N(T NDl)
(CH3)3N*BH3(g)
(CH3)4N*BH4(ia)
CH3N2CH3(g)
CH3NH2(a)
C2H5NH2(a)
(CH3)2NH(ia)
C3H7NH2(a)
C4H9NH2(a)
C5H11NH2(a)
C6H13NH2(a)
C7H15NH2(a)
C8H17NH2(a)
CH3NH3(+a)
(CH3)2NH2(+a)
(CH3)3NH(+a)
CH2NH2COOK(ia)
CH3NH3Cl(ia)
(CH3)2NH2Cl(ia)
(CH3)3NHCl(ia)
CH3NHNHCH3(g)
CH3NH3NO3(ia)
(CH3)2NH2NO3(ia)
(CH3)3NHNO3(ia)
CH3NH3OH(a)
CH3NH3OH(ia)
(CH3)2NH2OH(a)
(CH3)3NHOH(a)
(CH3)2NNH2(g)
CH2NO2(g)
CH2N2O4(g)
CH3NO(g)
CH3NO2(g)
CH3NO2(MNg)
CH3NO3(l)
CH3NO3(g)
CH4N2O
CH4N2O(g)
CH4N2O(a)
CH4N2O2
C2H3NO(HYAg)
C2H3NO(MICg)
C2H3NO2(g)
C2H5NO
C2H5NO(g)
C2H5NO(MEFg)
C2H5NO2
C2H5NO2(g)
C2H5NO2(a)
C2H5NO2(ENIg)
C2H5NO2(NEl)
C2H5NO3(g)
C2H5N3O2(Bg)
C2H6N2O(MCAg)
C2H7NO(MEAg)
C3H3NO(12OZg)
C3H3NO(OAZg)
C3H5NO(AAMg)
C3H5NO(HANg)
C3H5NO(LNIg)
C3H6NO2(a)
C3H7NO(DMFg)
C3H7NO(NMT g)
C3H7NO(PAM)
C3H7NO2(a)
C3H7NO2(1NPl)
C3H7NO2(1NPg)
C3H7NO2(2NPl)
C3H7NO2(2NPg)
C3H7NO2(D2A)
C3H7NO3(a)
C3H7NO3(DSE)
C3H9NO(12APRg)
C3H9NO(31APRg)
C3H9NO(MAMg)
C4H4N2O3(BAg)
C4H5NO2(MCAg)
C4H6N2O2(a)
C4H7NO(2PRDg)
C4H7NO(3MPRg)
C4H7NO(ACYg)
C4H7NO4(a)
C4H7NO4(LAA)
C4H8N2O2(BDA)
C4H8N2O3(a)
C4H8N2O3(LAS)
C4H9NO(BAM)
C4H9NO2(a)
C4H9NO2(1NBl)
C4H9NO2(1NBg)
C4H9NO2(2M2NPl)
C4H9NO2(2M2NPg)
C4H9NO2(2NBl)
C4H9NO2(2NBg)
C4H9NO2(4AB)
C4H9NO2(4ABl)
C4H9NO3(a)
C4H9NO3(DT H)
C4H11NO(DMEg)
C4H11NO2(2AMIg)
C5H7NO2(ECAg)
C5H9NO4(a)
C5H9NO4(LGA)
C5H10N2O3(a)
C5H10N2O3(LGL)
C5H11NO(PAM)
C5H11NO(T BUg)
C5H11NO2(a)
C5H11NO2(1NPg)
C5H11NO2(5AP)
C5H11NO2(5APl)
C5H11NO2(LVA)
C5H12N2O2(DOR)
C5H13NO2(MDAg)
C6H3N3O6(135T NBg)
C6H4N2O4(14D)
C6H4N2O4(14Dl)
C6H4N2O4(MNBg)
C6H4N2O4(ONBg)
C6H4N2O4(PDBg)
C6H5NO2(NBZl)
C6H5NO2(NIAg)
C6H5NO3(4NP)
C6H5NO3(4NPl)
C6H5N3O4(25D)
C6H5N3O4(25Dl)
C6H6N2O2(2NA)
C6H6N2O2(2NAl)
C6H6N2O2(3NA)
C6H6N2O2(3NAl)
C6H6N2O2(4NA)
C6H6N2O2(4NAl)
C6H8N2O(BCEg)
C6H11NO(CYXg)
C6H11NO(ECLg)
C6H13NO(HAM)
C6H13NO2(a)
C6H13NO2(2AH)
C6H13NO2(4AHl)
C6H13NO2(5AHl)
C6H13NO2(DIL)
C6H13NO2(DLE)
C6H13NO2(ILa)
C6H14N2O2(DLY)
C6H14N2O2(LYSg)
C6H15NO(6AMXg)
C6H15NO2(DPRg)
C6H15NO3(T EAg)
C7H5NO(PICg)
C7H5NO4(2NB)
C7H5NO4(3NB)
C7H5NO4(4NB)
C7H5N3O6(246T NT g)
C7H6N2O4(24DNT g)
C7H6N2O4(26DNT g)
C7H6N2O4(34DNT g)
C7H7NO(FRAg)
C7H7NO2(1M4N)
C7H7NO2(1M4Nl)
C7H7NO2(2AB)
C7H7NO2(3AB)
C7H7NO3(ONAg)
C7H11NO(CHIg)
C7H15NO2(7AH)
C7H15NO2(7AHl)
C8H9NO(AANg)
C8H11NO(PP Dg)
C8H17NO(OAM)
C9H6N2O2(T ICg)
C9H11NO2(a)
C9H11NO2(DPA)
C9H11NO2(LP Hg)
C9H11NO3(a)
C9H11NO3(LT Y)
C9H19NO2(9AN)
C9H19NO2(9ANl)
C10H7NO2(1NN)
C10H7NO2(1NNl)
C10H12N4O5
C10H12N4O5(a)
C10H13N5O4
C10H13N5O4(a)
C10H16N2O8(EDT A)
C11H12N2O2(a)
C18H13N3O4(44DT Pg)
C2H4NO2(-a)
C10H10N4O5(-a)
C10H10N4O5(-2a)
C10H12N2O8(EDT A-4a)
C10H15N2O8(EDT A-a)
C10H17N2O8(EDT A+a)
C10H12N2O8Ni(EDT A-2a)
C10H13N4O8P(a)
C10H14N5O7P(a)
C10H10N4O8P(-3a)
C10H10N4O11P2(-4a)
C10H10N4O14P3(-5a)
C10H11N4O8P(-2a)
C10H11N4O11P2(-3a)
C10H11N4O14P3(-4a)
C10H12N4O8P(-a)
C10H12N4O11P2(-2a)
C10H12N4O14P3(-3a)
C10H12N5O7P(-2a)
C10H12N5O10P2(-3a)
C10H12N5O13P3(-4a)
C10H13N4O11P2(-a)
C10H13N4O14P3(-2a)
C10H13N5O7P(-a)
C10H13N5O10P2(-2a)
C10H13N5O13P3(-3a)
C10H14N5O10P2(-a)
C10H14N5O13P3(-2a)
C10H11N4O8PMg(a)
C10H11N4O14P3Mg2(a)
C10H12N4O11P2Mg(a)
C10H12N5O7PMg(a)
C10H12N5O13P3Mg2(a)
C10H13N5O10P2Mg(a)
C10H11N4O11P2Mg(-a)
C10H11N4O14P3Mg(-2a)
C10H12N4O14P3Mg(-a)
C10H12N5O10P2Mg(-a)
C10H12N5O13P3Mg(-2a)
C10H13N5O13P3Mg(-a)
C5H11NO2S(a)
C10H12N2O8U2(EDT A)
CH4N2S
CH4N2S(T URg)
CH5N3S
C2H3NS(g)
C5H9NS(NMT g)
C2H3NaO2(SACg)
CHO(g)
CH2O(g)
CH2O(a)
CH3O(g)
CH4O2(MHPg)
C2H2O(KT Eg)
C2H2O(OXg)
C2H2O2(EDALl)
C2H2O2(GOXg)
C2H2O4(a)
C2H2O4(OXA)
C2H2O4(OXAg)
C2H4O(a)
C2H4O(ACEg)
C2H4O(ACEl)
C2H4O(OXIl)
C2H4O(OXIg)
C2H4O(POE)
C2H4O2(a)
C2H4O2(ACAl)
C2H4O2(ACAg)
C2H4O2(MFAg)
C2H4O2(MFOa)
C2H4O2(MFOl)
C2H4O3(a)
C2H4O3(GAg)
C2H4O3(PAAg)
C2H4O4(FADg)
C2H6O(DMEa)
C2H6O(DMEg)
C2H6O(EAOl)
C2H6O(EAOg)
C2H6O2(DMPg)
C2H6O2(EGLl)
C2H6O2(EGLg)
C2H8O2(DMOLg)
C3H4O(1P1Ng)
C3H4O(ACRg)
C3H4O(CP Ng)
C3H4O2(13DOX2Ng)
C3H4O2(2OXl)
C3H4O2(2PAg)
C3H4O2(PAl)
C3H4O2(PACg)
C3H4O2(PDALg)
C3H4O2(VFMg)
C3H4O3(PYAg)
C3H4O4(a)
C3H4O4(MACg)
C3H6O(a)
C3H6O(13POXg)
C3H6O(2PRg)
C3H6O(2PRl)
C3H6O(2PRa)
C3H6O(ACEl)
C3H6O(CP OLg)
C3H6O(MOXg)
C3H6O(PALl)
C3H6O(POT M)
C3H6O(POXl)
C3H6O(PREg)
C3H6O(PROl)
C3H6O(PROg)
C3H6O2(a)
C3H6O2(ACT g)
C3H6O2(EFOa)
C3H6O2(EFOl)
C3H6O2(EFOg)
C3H6O2(MACa)
C3H6O2(MACg)
C3H6O2(MET l)
C3H6O2(PAl)
C3H6O2(PAg)
C3H6O3(a)
C3H6O3(L2H)
C3H6O3(L2Hl)
C3H6O3(LACg)
C3H6O3(MOAg)
C3H6O3(T OXg)
C3H6O3(T RI)
C3H8O(2PRa)
C3H8O(2PRl)
C3H8O(2PRg)
C3H8O(MEEg)
C3H8O(MEEa)
C3H8O(PROl)
C3H8O(PROg)
C3H8O2(g)
C3H8O2(2MOl)
C3H8O2(DMOl)
C3H8O2(PGLl)
C3H8O2(PGLg)
C3H8O2(T MGl)
C3H8O3(g)
C3H8O3(GLYl)
C4H2O3(MANg)
C4H4O(FURl)
C4H4O(FURg)
C4H4O2(DIKg)
C4H4O3(SANg)
C4H4O4(E2B)
C4H4O4(FMAg)
C4H4O4(MAA)
C4H4O4(MACg)
C4H6O(25DYFg)
C4H6O(2BALtg)
C4H6O(BNg)
C4H6O(CBNg)
C4H6O(DMKg)
C4H6O2(2BDLg)
C4H6O2(4BLl)
C4H6O2(BACg)
C4H6O2(CRAcg)
C4H6O2(CRAtg)
C4H6O2(MAAg)
C4H6O2(MARg)
C4H6O2(VACg)
C4H6O3(4M13DO2Ng)
C4H6O3(AAHg)
C4H6O4(a)
C4H6O4(BDAl)
C4H6O4(DAPg)
C4H6O4(SUC)
C4H6O4(SUCg)
C4H6O5(DGAg)
C4H6O5(MALg)
C4H6O6(T ACg)
C4H8O(a)
C4H8O(12EP Bg)
C4H8O(21Bl)
C4H8O(21Bg)
C4H8O(21Ba)
C4H8O(31Bl)
C4H8O(31Bg)
C4H8O(31Ba)
C4H8O(BUOl)
C4H8O(BUOg)
C4H8O(BUT l)
C4H8O(BUT g)
C4H8O(CBOLg)
C4H8O(CBOLl)
C4H8O(CBOLa)
C4H8O(CP Ml)
C4H8O(CP Mg)
C4H8O(CP Ma)
C4H8O(EOXIl)
C4H8O(EVEg)
C4H8O(IBAl)
C4H8O(IBAg)
C4H8O(OXOg)
C4H8O(T HFl)
C4H8O(T HFg)
C4H8O2(a)
C4H8O2(13DOg)
C4H8O2(14Dl)
C4H8O2(14Dg)
C4H8O2(14DOl)
C4H8O2(BACl)
C4H8O2(BACg)
C4H8O2(EACa)
C4H8O2(EACg)
C4H8O2(EADg)
C4H8O2(EET l)
C4H8O2(IBAg)
C4H8O2(IPFOg)
C4H8O2(IPFOa)
C4H8O2(IPFOl)
C4H8O2(IPFOg)
C4H8O2(MPRg)
C4H8O2(MPRa)
C4H8O2(MPRl)
C4H8O2(MPRg)
C4H8O2(PFOa)
C4H8O2(PFOl)
C4H8O2(PFRg)
C4H8O2(c2BDOg)
C4H8O2(t2BDOg)
C4H8O3(a)
C4H10O(2BUg)
C4H10O(2BUa)
C4H10O(2M1Pa)
C4H10O(2M2Pa)
C4H10O(2M2Pg)
C4H10O(BUT l)
C4H10O(BUT g)
C4H10O(DEEg)
C4H10O(DEEa)
C4H10O(DEEl)
C4H10O(DEEg)
C4H10O(IBAl)
C4H10O(IBUg)
C4H10O(MIEl)
C4H10O(MIEa)
C4H10O(MISg)
C4H10O(MNPg)
C4H10O(MPEl)
C4H10O(MPEa)
C4H10O(SBAl)
C4H10O(T BA)
C4H10O(T BAl)
C4H10O2(12Bl)
C4H10O2(12BUEg)
C4H10O2(13Bl)
C4H10O2(13BUEg)
C4H10O2(14Bl)
C4H10O2(23Bl)
C4H10O2(2EOl)
C4H10O2(2M12Pl)
C4H10O2(DEP g)
C4H10O2(T BUg)
C4H10O3(g)
C4H10O3(DEGl)
C4H10O4(ERY)
C4H10O4(ERYl)
C4H12O2(DEOLg)
C4H16O4(T MOLg)
C5H4O2(FURg)
C5H6O(2MFURg)
C5H6O(3MFURg)
C5H6O2(FRAg)
C5H6O3(GANg)
C5H6O4(CIAg)
C5H6O4(IT Ag)
C5H8O(31Pl)
C5H8O(31Pg)
C5H8O(31Pa)
C5H8O(CP Ng)
C5H8O(MIKg)
C5H8O2(5PLl)
C5H8O2(ALAg)
C5H8O2(EARg)
C5H8O2(GVAg)
C5H8O2(MMAg)
C5H8O2(VP Pg)
C5H8O3(2HYAg)
C5H8O3(LVAg)
C5H8O3(MAAg)
C5H8O4(a)
C5H8O4(MBAl)
C5H8O4(PDA)
C5H8O4(PDAl)
C5H10O(a)
C5H10O(2PNl)
C5H10O(2PNg)
C5H10O(3M2Bg)
C5H10O(3M2Ba)
C5H10O(3M2Bl)
C5H10O(3M2Bg)
C5H10O(3PNl)
C5H10O(3PNa)
C5H10O(3PNg)
C5H10O(41Pl)
C5H10O(41Pg)
C5H10O(41Pa)
C5H10O(CP Al)
C5H10O(CP Ag)
C5H10O(CP Aa)
C5H10O(CP El)
C5H10O(CP Eg)
C5H10O(CP Ea)
C5H10O(PENl)
C5H10O(PENg)
C5H10O(PNg)
C5H10O2(a)
C5H10O2(22Dl)
C5H10O2(2MBl)
C5H10O2(2MBg)
C5H10O2(2MPl)
C5H10O2(BFOa)
C5H10O2(BFOl)
C5H10O2(BFOg)
C5H10O2(EP Na)
C5H10O2(EP Nl)
C5H10O2(EP Ng)
C5H10O2(IBFa)
C5H10O2(IBFg)
C5H10O2(IPACg)
C5H10O2(IPACl)
C5H10O2(IPACg)
C5H10O2(IPACa)
C5H10O2(IVAg)
C5H10O2(M2MPRg)
C5H10O2(M2MPRa)
C5H10O2(M2MPRl)
C5H10O2(M2MPRg)
C5H10O2(MBT a)
C5H10O2(MBT l)
C5H10O2(MBT g)
C5H10O2(NPAg)
C5H10O2(PACl)
C5H10O2(PACa)
C5H10O2(PAg)
C5H10O2(PAl)
C5H10O2(PACg)
C5H10O2(PACl)
C5H10O2(SBFOl)
C5H10O2(SBFOg)
C5H10O2(T BFOl)
C5H10O2(T BFOg)
C5H10O2(T FAg)
C5H10O3(a)
C5H10O3(DEC)
C5H10O5(Aa)
C5H10O5(La)
C5H10O5(Ra)
C5H10O5(RIa)
C5H10O5(Xa)
C5H10O5(XYa)
C5H12O(22DMP)
C5H12O(22DMPg)
C5H12O(22DMPa)
C5H12O(2M1Bl)
C5H12O(2M1Ba)
C5H12O(2M2Bl)
C5H12O(2M2Ba)
C5H12O(2M2Bg)
C5H12O(2M2Mg)
C5H12O(2PEl)
C5H12O(2PEg)
C5H12O(2PEa)
C5H12O(2RSM1Bg)
C5H12O(31MEBg)
C5H12O(31MEBa)
C5H12O(32MEBg)
C5H12O(3PEl)
C5H12O(3PEg)
C5H12O(3PEa)
C5H12O(EIP Eg)
C5H12O(EIP Ea)
C5H12O(EIP El)
C5H12O(EIP Eg)
C5H12O(EOP g)
C5H12O(EP El)
C5H12O(EP Ea)
C5H12O(IAAl)
C5H12O(IBMEl)
C5H12O(MBEl)
C5H12O(MBEa)
C5H12O(MBEg)
C5H12O(MIEg)
C5H12O(MSEg)
C5H12O(MT El)
C5H12O(MT Ea)
C5H12O(PENl)
C5H12O(PENg)
C5H12O(SBMEl)
C5H12O2(15Pl)
C5H12O2(15PDOLl)
C5H12O2(2IPl)
C5H12O2(2POl)
C5H12O2(35Dl)
C5H12O2(EGMg)
C5H12O3(22MOEg)
C5H12O4(PER)
C5H12O4(PERl)
C6H4O2(QUIg)
C6H5O(g)
C6H6O(PHE)
C6H6O(PHEl)
C6H6O(PHEg)
C6H6O(Pg)
C6H6O(PHE)
C6H6O(PHEl)
C6H6O(PHEg)
C6H6O2(12BNDg)
C6H6O2(13BNDg)
C6H6O2(CAT )
C6H6O2(CAT l)
C6H6O2(HQU)
C6H6O2(HQUl)
C6H6O2(HQUg)
C6H6O2(RES)
C6H6O2(RESl)
C6H6O3(123BT Rg)
C6H8O(25DMFg)
C6H8O4(DIMg)
C6H8O4(DPAg)
C6H8O7(CACg)
C6H10O(CHNg)
C6H10O(CHOl)
C6H10O2(CALg)
C6H10O2(EMCg)
C6H10O2(NPAg)
C6H10O3(EAAg)
C6H10O3(PANg)
C6H10O4(a)
C6H10O4(22Dl)
C6H10O4(ADAg)
C6H10O4(DEOg)
C6H10O4(EBAl)
C6H10O4(EGAg)
C6H10O4(ET Yg)
C6H10O4(HDA)
C6H10O4(HDAl)
C6H10O4(M23Dl)
C6H10O4(R23Dl)
C6H12O(a)
C6H12O(2HEl)
C6H12O(2HEg)
C6H12O(2M3Pa)
C6H12O(2M3Pl)
C6H12O(32MPT g)
C6H12O(332DMEg)
C6H12O(33D2Ba)
C6H12O(33D2Bl)
C6H12O(33DM2BNl)
C6H12O(33DM2BNg)
C6H12O(3HEl)
C6H12O(3HEa)
C6H12O(3HEg)
C6H12O(3M2PNl)
C6H12O(3M2PNa)
C6H12O(4M2PNg)
C6H12O(4M2PNa)
C6H12O(4M2PNl)
C6H12O(4M2PNg)
C6H12O(CHAl)
C6H12O(CHAa)
C6H12O(CHOg)
C6H12O(CP Ml)
C6H12O(CP Mg)
C6H12O(CP Ma)
C6H12O(ESPg)
C6H12O(HEXl)
C6H12O(HEXg)
C6H12O2(a)
C6H12O2(12DMPFOl)
C6H12O2(12DMPFOg)
C6H12O2(1EP FOl)
C6H12O2(1EP FOg)
C6H12O2(1MBFOl)
C6H12O2(1MBFOg)
C6H12O2(22Dl)
C6H12O2(22DMPFOl)
C6H12O2(22DMPFOg)
C6H12O2(2EBAg)
C6H12O2(2MBFOl)
C6H12O2(2MBFOg)
C6H12O2(2MPl)
C6H12O2(3MBFOg)
C6H12O2(3MBFOa)
C6H12O2(3MBFOl)
C6H12O2(3MBFOg)
C6H12O2(BET l)
C6H12O2(BET a)
C6H12O2(CHP g)
C6H12O2(DALg)
C6H12O2(E2MP Rl)
C6H12O2(EBT a)
C6H12O2(EBT g)
C6H12O2(EBUl)
C6H12O2(EIBa)
C6H12O2(EIBg)
C6H12O2(HACl)
C6H12O2(IBAa)
C6H12O2(IBAg)
C6H12O2(IPP Rg)
C6H12O2(IPP Ra)
C6H12O2(IPP Rl)
C6H12O2(IPP Rg)
C6H12O2(M22Dl)
C6H12O2(M22DMPRg)
C6H12O2(M22Da)
C6H12O2(M22DMPRg)
C6H12O2(M2Ml)
C6H12O2(M2MBUg)
C6H12O2(M3Ml)
C6H12O2(M3MBUg)
C6H12O2(MPEg)
C6H12O2(MPEa)
C6H12O2(MPEl)
C6H12O2(MPEg)
C6H12O2(NBAg)
C6H12O2(NHAg)
C6H12O2(NPFg)
C6H12O2(NPP g)
C6H12O2(PFOg)
C6H12O2(PFOa)
C6H12O2(PFOl)
C6H12O2(PFOg)
C6H12O2(PP Ra)
C6H12O2(PP Rl)
C6H12O2(SBAa)
C6H12O2(SBAg)
C6H12O2(SBACl)
C6H12O2(T BAa)
C6H12O2(T BAg)
C6H12O2(T PFOl)
C6H12O2(T PFOg)
C6H12O3(a)
C6H12O3(2EEAg)
C6H12O3(HYXg)
C6H12O3(PGMg)
C6H12O3(PRAg)
C6H12O6(DXT g)
C6H12O6(Fa)
C6H12O6(Ga)
C6H12O6(GAa)
C6H12O6(INSg)
C6H12O6(Ma)
C6H12O6(Sa)
C6H14O(1EP MEl)
C6H14O(1EP MEg)
C6H14O(21MPNg)
C6H14O(21MPNl)
C6H14O(21MPNa)
C6H14O(22DM1Bg)
C6H14O(23DM2Bg)
C6H14O(23DM2Bl)
C6H14O(23DM2Bg)
C6H14O(23DM2Ba)
C6H14O(2EBUg)
C6H14O(2EBUl)
C6H14O(2EBUg)
C6H14O(2EBUa)
C6H14O(2HEXl)
C6H14O(2HEXg)
C6H14O(2HEXa)
C6H14O(2M2Pg)
C6H14O(2M3Pl)
C6H14O(2M3Pg)
C6H14O(2P2P g)
C6H14O(2RS3DM1Bg)
C6H14O(2RSHg)
C6H14O(33DM1Bg)
C6H14O(33DM2RSBg)
C6H14O(3HEXg)
C6H14O(3HEXl)
C6H14O(3HEXg)
C6H14O(3HEXa)
C6H14O(3M3Pg)
C6H14O(3M3Pl)
C6H14O(3M3Pg)
C6H14O(3M3Pa)
C6H14O(3RSM1Pg)
C6H14O(3RSM2RSPg)
C6H14O(3RSM2RSPl)
C6H14O(3RSM2RSPg)
C6H14O(3RSM2RSPa)
C6H14O(4M1Pg)
C6H14O(4M2Pl)
C6H14O(4M2Pg)
C6H14O(4M2Pa)
C6H14O(BEEl)
C6H14O(BEEa)
C6H14O(DIPl)
C6H14O(DIPa)
C6H14O(DNPl)
C6H14O(DNPa)
C6H14O(EIBEl)
C6H14O(EIBEg)
C6H14O(HEXl)
C6H14O(HEXg)
C6H14O(2HEXg)
C6H14O(IPP El)
C6H14O(IPP Eg)
C6H14O(M11DMPEl)
C6H14O(M11DMPEg)
C6H14O(M11DMPEa)
C6H14O(M12DMPEl)
C6H14O(M12DMPEg)
C6H14O(M1MBEl)
C6H14O(M1MBEg)
C6H14O(M22DMPEl)
C6H14O(M2MBEl)
C6H14O(M2MBEg)
C6H14O(M3MBEl)
C6H14O(M3MBEg)
C6H14O(MPEl)
C6H14O(MPYg)
C6H14O(MT Pg)
C6H14O(NBEg)
C6H14O(POP g)
C6H14O(SBEEl)
C6H14O(SBEEg)
C6H14O(T BEEg)
C6H14O(T BEEa)
C6H14O(T BEEl)
C6H14O(T BEEg)
C6H14O2(12Dl)
C6H14O2(12DT Og)
C6H14O2(16H)
C6H14O2(16Hl)
C6H14O2(2BXEg)
C6H14O2(ACT g)
C6H14O2(HXGg)
C6H14O3(g)
C6H14O3(2ET Ag)
C6H14O3(357T l)
C6H14O3(DEGg)
C6H14O3(DPGg)
C6H14O3(T MPg)
C6H14O4(g)
C6H14O4(T EGl)
C6H14O6(SRBg)
C6H16O2(D1POLg)
C6H16O2(D2POLg)
C7H6O(BAHg)
C7H6O2(a)
C7H6O2(BAC)
C7H6O2(BAg)
C7H6O2(BAC)
C7H6O2(HYBg)
C7H6O3(2HB)
C7H6O3(MHB)
C7H8O(2MPg)
C7H8O(3MPg)
C7H8O(4MPg)
C7H8O(ANSg)
C7H8O(BALg)
C7H8O(MCRl)
C7H8O(OCR)
C7H8O(OCRl)
C7H8O(PCE)
C7H8O(PCRl)
C7H8O(PCRs)
C7H8O2(GUAg)
C7H8O2(PMP g)
C7H10O2(ALMg)
C7H10O2(E4P Yl)
C7H12O(CHNg)
C7H12O2(E4P El)
C7H12O2(IBAg)
C7H12O2(NBAg)
C7H12O2(NPMg)
C7H12O4(a)
C7H12O4(HAC)
C7H12O4(HACl)
C7H12O4(PIMg)
C7H12O4(T MBl)
C7H14O(a)
C7H14O(22Dl)
C7H14O(24Dg)
C7H14O(24Da)
C7H14O(24Dl)
C7H14O(2CMCg)
C7H14O(2HNl)
C7H14O(2HPNg)
C7H14O(2MHXg)
C7H14O(3HEP g)
C7H14O(3HNl)
C7H14O(3HNg)
C7H14O(3MHXg)
C7H14O(3T MCg)
C7H14O(4CMCg)
C7H14O(4HEP a)
C7H14O(4HEP g)
C7H14O(4HNl)
C7H14O(4T MCg)
C7H14O(52MHOg)
C7H14O(CHAl)
C7H14O(CHAg)
C7H14O(CHAa)
C7H14O(CHMl)
C7H14O(CHMg)
C7H14O(CHMa)
C7H14O(CP El)
C7H14O(CP Eg)
C7H14O(CP Ea)
C7H14O(DSP g)
C7H14O(HEP l)
C7H14O(HEP g)
C7H14O(MEC1g)
C7H14O2(a)
C7H14O2(11DMPACl)
C7H14O2(11DMPACg)
C7H14O2(12DMPACl)
C7H14O2(12DMPACg)
C7H14O2(1EP ACl)
C7H14O2(1EP ACgl)
C7H14O2(1MBACl)
C7H14O2(1MBACg)
C7H14O2(22DMPACl)
C7H14O2(22DMPACg)
C7H14O2(2MBACl)
C7H14O2(2MBACg)
C7H14O2(3MBACl)
C7H14O2(3MBACg)
C7H14O2(BP Ra)
C7H14O2(BP Rl)
C7H14O2(E22DMP Rl)
C7H14O2(E22DMP Rg)
C7H14O2(E22DMP Ra)
C7H14O2(E2Ma)
C7H14O2(E2MBUg)
C7H14O2(E2Ml)
C7H14O2(E2MBUg)
C7H14O2(E3MBUg)
C7H14O2(E3MBUa)
C7H14O2(E3MBUl)
C7H14O2(E3MBUg)
C7H14O2(EIVg)
C7H14O2(EP Eg)
C7H14O2(EP Ol)
C7H14O2(EP Oa)
C7H14O2(HACl)
C7H14O2(HFOg)
C7H14O2(HFOa)
C7H14O2(HFOl)
C7H14O2(HFOg)
C7H14O2(IBP Rg)
C7H14O2(IBP Ra)
C7H14O2(IBP Rl)
C7H14O2(IBP Rg)
C7H14O2(IP2MP Rl)
C7H14O2(IP2MP Rg)
C7H14O2(IPAa)
C7H14O2(IPAg)
C7H14O2(IPBUg)
C7H14O2(IPBUl)
C7H14O2(IPBUg)
C7H14O2(IPBUa)
C7H14O2(MHEg)
C7H14O2(MHEa)
C7H14O2(MHEl)
C7H14O2(MHEg)
C7H14O2(NBP g)
C7H14O2(NHAg)
C7H14O2(NPAg)
C7H14O2(NPBg)
C7H14O2(P2MP Rl)
C7H14O2(P2MP Rg)
C7H14O2(PACa)
C7H14O2(PACl)
C7H14O2(PBUa)
C7H14O2(PBUl)
C7H14O2(SBPRl)
C7H14O2(SBPRg)
C7H14O2(T BP Rl)
C7H14O2(T BP Rg)
C7H14O3(a)
C7H14O3(3EEPg)
C7H16O(1E1MP MEl)
C7H16O(1E1MP MEg)
C7H16O(1E2MP MEl)
C7H16O(1E2MP MEg)
C7H16O(1EBMEl)
C7H16O(1EBMEg)
C7H16O(223T M1Bg)
C7H16O(22DM1Pg)
C7H16O(233T M2Bg)
C7H16O(23RSDM2Pg)
C7H16O(23RSDM3Pg)
C7H16O(24DM2Pg)
C7H16O(24DM3Pg)
C7H16O(2E2M1Bg)
C7H16O(2EBMEl)
C7H16O(2EBMEg)
C7H16O(2HEP l)
C7H16O(2HEP g)
C7H16O(2HEP a)
C7H16O(2M2Hg)
C7H16O(2M3RSHg)
C7H16O(2P22P g)
C7H16O(2RS33T M1Bg)
C7H16O(2RS3RSDM1Pg)
C7H16O(2RS4DM1Pg)
C7H16O(2RSE1P g)
C7H16O(2RSE3M1Bg)
C7H16O(2RSHg)
C7H16O(2RSM1Hg)
C7H16O(33DM1Pg)
C7H16O(33DM2RSPg)
C7H16O(3E1P g)
C7H16O(3E2RSP g)
C7H16O(3E3P g)
C7H16O(3E3P l)
C7H16O(3E3P g)
C7H16O(3E3P a)
C7H16O(3RS4DM1Pg)
C7H16O(3RS4DM2RSPg)
C7H16O(3RSHg)
C7H16O(3RSHl)
C7H16O(3RSHg)
C7H16O(3RSHa)
C7H16O(3RSM1Hg)
C7H16O(3RSM2RSHg)
C7H16O(3RSM3Hg)
C7H16O(44DM1Pg)
C7H16O(44DM2RSPg)
C7H16O(4Hg)
C7H16O(4Hl)
C7H16O(4Hg)
C7H16O(4Ha)
C7H16O(4RSM1Hg)
C7H16O(4RSM2RSHg)
C7H16O(4RSM3RSHg)
C7H16O(51MEXg)
C7H16O(5M2RSHg)
C7H16O(5M3RSHg)
C7H16O(BIP El)
C7H16O(BIP Eg)
C7H16O(BP El)
C7H16O(BP Eg)
C7H16O(E11DMP El)
C7H16O(E11DMP Eg)
C7H16O(E11DMP Ea)
C7H16O(E12DMP El)
C7H16O(E12DMP Eg)
C7H16O(E1EPEl)
C7H16O(E1EPEg)
C7H16O(E1MBEl)
C7H16O(E1MBEg)
C7H16O(E22DMP El)
C7H16O(E22DMP Eg)
C7H16O(E2MBEl)
C7H16O(E2MBEg)
C7H16O(E3MBEl)
C7H16O(E3MBEg)
C7H16O(EP El)
C7H16O(EP Eg)
C7H16O(HEP l)
C7H16O(HEP g)
C7H16O(HMEl)
C7H16O(HMEg)
C7H16O(IBIP El)
C7H16O(IBIP Eg)
C7H16O(IBP El)
C7H16O(IBP Eg)
C7H16O(IHMEl)
C7H16O(IHMEg)
C7H16O(IPT l)
C7H16O(M112T MPEl)
C7H16O(M112T MPEg)
C7H16O(M11DMBEl)
C7H16O(M11DMBEg)
C7H16O(M122T MPEl)
C7H16O(M122T MPEg)
C7H16O(M12DMBEl)
C7H16O(M12DMBEg)
C7H16O(M13DMBEl)
C7H16O(M13DMBEg)
C7H16O(M1MPEl)
C7H16O(M1MPEg)
C7H16O(M22DMBEl)
C7H16O(M22DMBEg)
C7H16O(M23DMBEl)
C7H16O(M23DMBEg)
C7H16O(M2MPEl)
C7H16O(M2MPEg)
C7H16O(M33DMBEl)
C7H16O(M33DMBEg)
C7H16O(M3MPEl)
C7H16O(M3MPEg)
C7H16O(SBIPEl)
C7H16O(SBIPEg)
C7H16O(SBPEl)
C7H16O(SBPEg)
C7H16O(T BIP El)
C7H16O(T BIP Eg)
C7H16O(T BP El)
C7H16O(T BP Eg)
C7H16O2(13Dl)
C7H16O4(3579T l)
C8H4O3(PAH)
C8H4O3(PHAg)
C8H6O3(4CHBg)
C8H6O4(12B)
C8H6O4(13B)
C8H6O4(14B)
C8H6O4(IPAg)
C8H6O4(PT Ag)
C8H6O4(T PAg)
C8H8O(MPKg)
C8H8O2(2MB)
C8H8O2(3MB)
C8H8O2(4MB)
C8H8O2(MBOg)
C8H8O2(OT Ag)
C8H8O2(PT Ag)
C8H8O3(MSAg)
C8H8O3(VANg)
C8H10O(23D)
C8H10O(23Dl)
C8H10O(23XYNg)
C8H10O(24Dl)
C8H10O(24XYNg)
C8H10O(25D)
C8H10O(25Dl)
C8H10O(25XYNg)
C8H10O(26D)
C8H10O(26Dl)
C8H10O(26XYNg)
C8H10O(2EP l)
C8H10O(2EP HEg)
C8H10O(2PHEg)
C8H10O(34D)
C8H10O(34Dl)
C8H10O(34XYNg)
C8H10O(35D)
C8H10O(35Dl)
C8H10O(35XYNg)
C8H10O(3EP l)
C8H10O(3EP HEg)
C8H10O(4EP )
C8H10O(4EP l)
C8H10O(PEPg)
C8H10O(PT Og)
C8H10O4(EGDg)
C8H12O4(14CYHg)
C8H14O(CONg)
C8H14O2(NBMg)
C8H14O3(BANg)
C8H14O4(a)
C8H14O4(22Dl)
C8H14O4(DEBl)
C8H14O4(M23Dl)
C8H14O4(ODA)
C8H14O4(ODAl)
C8H14O4(R23Dl)
C8H14O4(T MBl)
C8H16O(a)
C8H16O(224T 3Pl)
C8H16O(2ELl)
C8H16O(2OCl)
C8H16O(2OCg)
C8H16O(3ONl)
C8H16O(3ONg)
C8H16O(4ONl)
C8H16O(4ONg)
C8H16O(COl)
C8H16O(COg)
C8H16O(OCT l)
C8H16O(OCT g)
C8H16O2(a)
C8H16O2(11DMPP Rl)
C8H16O2(11DMPP Rg)
C8H16O2(12DMPP Rl)
C8H16O2(12DMPP Rg)
C8H16O2(1EP PRl)
C8H16O2(1EP PRg)
C8H16O2(1MBP Rl)
C8H16O2(1MBP Rg)
C8H16O2(22DMPP Rl)
C8H16O2(22DMPP Rg)
C8H16O2(2MBP Rl)
C8H16O2(2MBP Rg)
C8H16O2(3MBP Rl)
C8H16O2(3MBP Rg)
C8H16O2(B2MP Rl)
C8H16O2(B2MP Rg)
C8H16O2(BBUa)
C8H16O2(BBUl)
C8H16O2(EHEg)
C8H16O2(EHEa)
C8H16O2(EHEl)
C8H16O2(EHEg)
C8H16O2(HACg)
C8H16O2(HACa)
C8H16O2(HACl)
C8H16O2(HACg)
C8H16O2(HFOl)
C8H16O2(HFOg)
C8H16O2(IBBUg)
C8H16O2(IBBUa)
C8H16O2(IBBUl)
C8H16O2(IBBUg)
C8H16O2(IBIBUa)
C8H16O2(IBIBUl)
C8H16O2(IBT g)
C8H16O2(IP22DMP Rl)
C8H16O2(IP22DMP Rg)
C8H16O2(IP2MBUl)
C8H16O2(IP2MBUg)
C8H16O2(IP3MBUl)
C8H16O2(IP3MBUg)
C8H16O2(IPP El)
C8H16O2(IPP Eg)
C8H16O2(MHEg)
C8H16O2(MHEa)
C8H16O2(MHEl)
C8H16O2(MHEg)
C8H16O2(NBBg)
C8H16O2(NOAg)
C8H16O2(OACl)
C8H16O2(P22DMP Rl)
C8H16O2(P22DMP Rg)
C8H16O2(P2MBUl)
C8H16O2(P2MBUg)
C8H16O2(P3MBUl)
C8H16O2(P3MBUg)
C8H16O2(PP El)
C8H16O2(PP Eg)
C8H16O2(PP Rg)
C8H16O2(PP Ra)
C8H16O2(PP Rl)
C8H16O2(PP Rg)
C8H16O2(SB2MPRl)
C8H16O2(SB2MPRg)
C8H16O2(SBBUl)
C8H16O2(SBBUg)
C8H16O2(T B2MP Rl)
C8H16O2(T B2MP Rg)
C8H16O2(T BBUl)
C8H16O2(T BBUg)
C8H16O3(a)
C8H16O4(DEGg)
C8H18O(11DEP MEl)
C8H18O(11DEP MEg)
C8H18O(11DMPP El)
C8H18O(11DMPP Eg)
C8H18O(12DMPP El)
C8H18O(12DMPP Eg)
C8H18O(1E12DMP MEl)
C8H18O(1E12DMP MEg)
C8H18O(1E22DMP MEl)
C8H18O(1E22DMP MEg)
C8H18O(1E2MBMEl)
C8H18O(1E2MBMEg)
C8H18O(1E3MBMEl)
C8H18O(1E3MBMEg)
C8H18O(1EP IPEl)
C8H18O(1EP IPEg)
C8H18O(1EP MEl)
C8H18O(1EP MEg)
C8H18O(1EP PEl)
C8H18O(1EP PEg)
C8H18O(1MBP El)
C8H18O(1MBP Eg)
C8H18O(1ME22DMP El)
C8H18O(1ME22DMP Eg)
C8H18O(2233T M1Bg)
C8H18O(223RST M1Pg)
C8H18O(223RST M3Pg)
C8H18O(224T M1Pg)
C8H18O(224T M3RSPg)
C8H18O(22DE1Bg)
C8H18O(22DM1Hg)
C8H18O(22DM3RSHg)
C8H18O(22DMPP El)
C8H18O(22DMPP Eg)
C8H18O(233T M2Pg)
C8H18O(234T M3Pg)
C8H18O(23DM3RSHg)
C8H18O(23RS4T M2Pg)
C8H18O(23RSDM2Hg)
C8H18O(244T M2Pg)
C8H18O(24RSDM2Hg)
C8H18O(24RSDM3RSHg)
C8H18O(25DM2Hg)
C8H18O(25DM3RSHg)
C8H18O(2B2Bg)
C8H18O(2E1Hl)
C8H18O(2E1Ha)
C8H18O(2E1MBMEl)
C8H18O(2E1MBMEg)
C8H18O(2E2MBMEl)
C8H18O(2E2MBMEg)
C8H18O(2E3MBMEl)
C8H18O(2E3MBMEg)
C8H18O(2EP MEl)
C8H18O(2EP MEg)
C8H18O(2IP3M1Bg)
C8H18O(2M2Hg)
C8H18O(2M3RSHg)
C8H18O(2M4RSHg)
C8H18O(2MBP El)
C8H18O(2MBP Eg)
C8H18O(2Ol)
C8H18O(2Og)
C8H18O(2Oa)
C8H18O(2P1P g)
C8H18O(2RS33T M1Pg)
C8H18O(2RS3RS4T M1Pg)
C8H18O(2RS3RSDM1Hg)
C8H18O(2RS44T M1Pg)
C8H18O(2RS4RSDM1Hg)
C8H18O(2RS5DM1Hg)
C8H18O(2RSE1Hg)
C8H18O(2RSE2M1P g)
C8H18O(2RSE2M3M1Bg)
C8H18O(2RSE33DM1Bg)
C8H18O(2RSE3RSM1P g)
C8H18O(2RSE4M1P g)
C8H18O(2RSIP1P g)
C8H18O(2RSM1Hg)
C8H18O(2RSOg)
C8H18O(334T M1Pg)
C8H18O(334T M2RSPg)
C8H18O(33DM1Hg)
C8H18O(33DM2RSHg)
C8H18O(3E2M2P g)
C8H18O(3E2M3P g)
C8H18O(3E2RSM1P g)
C8H18O(3E3Hg)
C8H18O(3E3M1P g)
C8H18O(3E3M2RSP g)
C8H18O(3EP MEl)
C8H18O(3EP MEg)
C8H18O(3MBP El)
C8H18O(3MBP Eg)
C8H18O(3Ol)
C8H18O(3Og)
C8H18O(3Oa)
C8H18O(3RS44T M1Pg)
C8H18O(3RS44T M2RSPg)
C8H18O(3RS4RSDM1Hg)
C8H18O(3RS4RSDM2RSHg)
C8H18O(3RS4RSDM3Hg)
C8H18O(3RS5DM1Hg)
C8H18O(3RS5DM2RSHg)
C8H18O(3RS5DM3Hg)
C8H18O(3RSE1Hg)
C8H18O(3RSE2RSHg)
C8H18O(3RSE4M1P g)
C8H18O(3RSE4M2RSP g)
C8H18O(3RSM1Hg)
C8H18O(3RSM2RSHg)
C8H18O(3RSM3Hg)
C8H18O(3RSM4RSHg)
C8H18O(3RSOg)
C8H18O(44DM1Hg)
C8H18O(44DM2RSHg)
C8H18O(44DM3RSHg)
C8H18O(4E1Hg)
C8H18O(4E2RSHg)
C8H18O(4E3RSHg)
C8H18O(4M4Hg)
C8H18O(4RS5DM1Hg)
C8H18O(4RS5DM2RSHg)
C8H18O(4RS5DM3RSHg)
C8H18O(4RSM1Hg)
C8H18O(4RSM2RSHg)
C8H18O(4RSM3RSHg)
C8H18O(4RSOg)
C8H18O(55DM1Hg)
C8H18O(55DM2RSHg)
C8H18O(55DM3RSHg)
C8H18O(5RSM1Hg)
C8H18O(5RSM2RSHg)
C8H18O(5RSM3RSHg)
C8H18O(6M1Hg)
C8H18O(6M2RSHg)
C8H18O(6M3RSHg)
C8H18O(BIBEl)
C8H18O(BIBEg)
C8H18O(BOBg)
C8H18O(BSBEl)
C8H18O(BT BEl)
C8H18O(BT BEg)
C8H18O(DIBEg)
C8H18O(DIBEa)
C8H18O(DIBEl)
C8H18O(DIBEg)
C8H18O(DNBl)
C8H18O(DNBa)
C8H18O(DSBl)
C8H18O(DSBEg)
C8H18O(DT Bl)
C8H18O(DT Bg)
C8H18O(E112T MP El)
C8H18O(E112T MP Eg)
C8H18O(E11DMBEl)
C8H18O(E11DMBEg)
C8H18O(E122T MP El)
C8H18O(E122T MP Eg)
C8H18O(E12DMBEl)
C8H18O(E12DMBEg)
C8H18O(E13DMBEl)
C8H18O(E13DMBEg)
C8H18O(E1E1MBMEl)
C8H18O(E1E1MBMEg)
C8H18O(E1E1MPEl)
C8H18O(E1E1MPEg)
C8H18O(E1E2MPEl)
C8H18O(E1E2MPEg)
C8H18O(E1EBEl)
C8H18O(E1EBEg)
C8H18O(E1MP El)
C8H18O(E1MP Eg)
C8H18O(E22DMBEl)
C8H18O(E22DMBEg)
C8H18O(E23DMBEl)
C8H18O(E23DMBEg)
C8H18O(E2EBEl)
C8H18O(E2EBEg)
C8H18O(E2MP El)
C8H18O(E2MP Eg)
C8H18O(E33DMBEl)
C8H18O(E33DMBEg)
C8H18O(E3MP El)
C8H18O(E3MP Eg)
C8H18O(EHEl)
C8H18O(EHEg)
C8H18O(EIHEl)
C8H18O(EIHEg)
C8H18O(HMEl)
C8H18O(HMEg)
C8H18O(IB1MP El)
C8H18O(IB1MP Eg)
C8H18O(IHMEl)
C8H18O(IHMEg)
C8H18O(IP11DMP El)
C8H18O(IP11DMP Eg)
C8H18O(IP12DMP El)
C8H18O(IP12DMP Eg)
C8H18O(IP1MBEl)
C8H18O(IP1MBEg)
C8H18O(IP2MBEl)
C8H18O(IP2MBEg)
C8H18O(IP3MBEl)
C8H18O(IP3MBEg)
C8H18O(IPP El)
C8H18O(IPP Eg)
C8H18O(M1122T MPEl)
C8H18O(M1122T MPEg)
C8H18O(M112T MBEl)
C8H18O(M112T MBEg)
C8H18O(M113T MBEl)
C8H18O(M113T MBEg)
C8H18O(M11DMPEl)
C8H18O(M11DMPEg)
C8H18O(M11ME2MP El)
C8H18O(M11ME2MP Eg)
C8H18O(M11MEBEl)
C8H18O(M11MEBEg)
C8H18O(M122T MBEl)
C8H18O(M122T MBEg)
C8H18O(M123T MBEl)
C8H18O(M123T MBEg)
C8H18O(M12DMPEl)
C8H18O(M12DMPEg)
C8H18O(M133T MBEl)
C8H18O(M133T MBEg)
C8H18O(M13DMPEl)
C8H18O(M13DMPEg)
C8H18O(M14DMPEl)
C8H18O(M14DMPEg)
C8H18O(M1MHEl)
C8H18O(M1MHEg)
C8H18O(M1PBEl)
C8H18O(M1PBEg)
C8H18O(M223T MBEl)
C8H18O(M223T MBEg)
C8H18O(M22DMPEl)
C8H18O(M22DMPEg)
C8H18O(M233T MBEl)
C8H18O(M233T MBEg)
C8H18O(M23DMPEl)
C8H18O(M23DMPEg)
C8H18O(M24DMPEl)
C8H18O(M24DMPEg)
C8H18O(M2MHEl)
C8H18O(M2MHEg)
C8H18O(M33DMPEl)
C8H18O(M33DMPEg)
C8H18O(M34DMPEl)
C8H18O(M34DMPEg)
C8H18O(M3MHEl)
C8H18O(M3MHEg)
C8H18O(M44DMPEl)
C8H18O(M44DMPEg)
C8H18O(M4MHEl)
C8H18O(M4MHEg)
C8H18O(OCT l)
C8H18O(OCT g)
C8H18O(PP El)
C8H18O(PP Eg)
C8H18O(SBT BEl)
C8H18O(SBT BEg)
C8H18O(T B2MP El)
C8H18O(T B2MP Eg)
C8H18O3(DEMg)
C8H18O5(T EGl)
C8H20O2(D2BOLg)
C8H20O2(DT BOLg)
C8H24O4(T EOLg)
C9H4O5(T MAg)
C9H6O6(123B)
C9H10O(4INOLg)
C9H10O(5INOLg)
C9H10O2(23D)
C9H10O2(24D)
C9H10O2(25D)
C9H10O2(26D)
C9H10O2(34D)
C9H10O2(35D)
C9H10O2(BACg)
C9H10O2(EBZg)
C9H12O(BEEg)
C9H14O(IPRg)
C9H14O6(GYT g)
C9H16O4(a)
C9H16O4(NDA)
C9H16O4(NDAl)
C9H18O(2244T 3Pl)
C9H18O(26Dl)
C9H18O(26Dg)
C9H18O(26Da)
C9H18O(2NNa)
C9H18O(2NNl)
C9H18O(2NNg)
C9H18O(3NNl)
C9H18O(3NNg)
C9H18O(4NNl)
C9H18O(4NNg)
C9H18O(5NOl)
C9H18O(5NOg)
C9H18O(NONl)
C9H18O(NONg)
C9H18O2(a)
C9H18O2(11DMP2MP Rl)
C9H18O2(11DMP2MP Rg)
C9H18O2(11DMPBUl)
C9H18O2(11DMPBUg)
C9H18O2(12DMPBUl)
C9H18O2(12DMPBUg)
C9H18O2(1EP 2MPRl)
C9H18O2(1EP 2MPRg)
C9H18O2(1EP BUl)
C9H18O2(1EP BUg)
C9H18O2(1MB2MP Rl)
C9H18O2(1MB2MP Rg)
C9H18O2(1MBBUl)
C9H18O2(1MBBUg)
C9H18O2(22DMPBUl)
C9H18O2(22DMPBUg)
C9H18O2(2MB2MP Rl)
C9H18O2(2MB2MP Rg)
C9H18O2(2MBBUl)
C9H18O2(2MBBUg)
C9H18O2(3MB2MP Rl)
C9H18O2(3MB2MP Rg)
C9H18O2(3MBBUl)
C9H18O2(3MBBUg)
C9H18O2(B22DMP Rl)
C9H18O2(B22DMP Rg)
C9H18O2(B2MBUl)
C9H18O2(B2MBUg)
C9H18O2(B3MBUl)
C9H18O2(B3MBUg)
C9H18O2(BP El)
C9H18O2(BP Eg)
C9H18O2(BP Ea)
C9H18O2(EHEl)
C9H18O2(EHEg)
C9H18O2(HACl)
C9H18O2(HACg)
C9H18O2(HPRl)
C9H18O2(HPRg)
C9H18O2(IB22DMP Rl)
C9H18O2(IB22DMP Rg)
C9H18O2(IB2MBUl)
C9H18O2(IB2MBUg)
C9H18O2(IB3MBUl)
C9H18O2(IB3MBUg)
C9H18O2(IBP El)
C9H18O2(IBP Eg)
C9H18O2(IPHEl)
C9H18O2(IPHEg)
C9H18O2(MOCl)
C9H18O2(MOCg)
C9H18O2(MOCa)
C9H18O2(NACl)
C9H18O2(OFOl)
C9H18O2(OFOg)
C9H18O2(P2MP Rl)
C9H18O2(P2MP Rg)
C9H18O2(PBUl)
C9H18O2(PBUg)
C9H18O2(PHEl)
C9H18O2(PHEg)
C9H18O2(SB22DMPRl)
C9H18O2(SB22DMPRg)
C9H18O2(SB2MBUl)
C9H18O2(SB2MBUg)
C9H18O2(SB3MBUl)
C9H18O2(SB3MBUg)
C9H18O2(SBPEl)
C9H18O2(SBPEg)
C9H18O2(T B22DMP Rl)
C9H18O2(T B22DMP Rg)
C9H18O2(T B2MBUl)
C9H18O2(T B2MBUg)
C9H18O2(T B3MBUl)
C9H18O2(T B3MBUg)
C9H18O2(T BP El)
C9H18O2(T BP Eg)
C9H18O3(a)
C9H18O4(DPMg)
C9H20O(EHEl)
C9H20O(EHEg)
C9H20O(MOEl)
C9H20O(MOEg)
C9H20O(NONl)
C9H20O(NONg)
C9H20O(NONa)
C9H20O4(T PGg)
C10H7O(1NRg)
C10H8O(1NA)
C10H8O(1NAl)
C10H8O(1NAg)
C10H8O(2NAl)
C10H8O2(12N)
C10H8O2(12Nl)
C10H8O2(13N)
C10H8O2(13Nl)
C10H8O2(14N)
C10H8O2(14Nl)
C10H8O2(23D)
C10H8O2(23Dl)
C10H8O4(a)
C10H10O4(D13P)
C10H10O4(DMPg)
C10H10O4(DMT g)
C10H12O2(234T )
C10H12O2(236T )
C10H12O2(245T )
C10H12O2(246T )
C10H12O2(345T )
C10H12O2(NPBg)
C10H12O4(DAMg)
C10H14O(PT Bg)
C10H14O2(PT Ag)
C10H16O(CAMg)
C10H18O4(a)
C10H18O4(DDA)
C10H18O4(DDAl)
C10H18O4(T ESl)
C10H20O(2DNa)
C10H20O(2DNl)
C10H20O(2DNg)
C10H20O(3DNl)
C10H20O(3DNg)
C10H20O(4DNl)
C10H20O(4DNg)
C10H20O(DECl)
C10H20O(DECg)
C10H20O2(a)
C10H20O2(11DMP22DMP Rl)
C10H20O2(11DMP22DMP Rg)
C10H20O2(11DMP2MBUl)
C10H20O2(11DMP2MBUg)
C10H20O2(11DMPP El)
C10H20O2(11DMPP Eg)
C10H20O2(12DMPP El)
C10H20O2(12DMPP Eg)
C10H20O2(1EP 22DMPRl)
C10H20O2(1EP 22DMPRg)
C10H20O2(1EP 2MBUl)
C10H20O2(1EP 2MBUg)
C10H20O2(1EP 3MBUl)
C10H20O2(1EP 3MBUg)
C10H20O2(1EP PEl)
C10H20O2(1EP PEg)
C10H20O2(1MB22DMP Rl)
C10H20O2(1MB22DMP Rg)
C10H20O2(1MB2MBUl)
C10H20O2(1MB2MBUg)
C10H20O2(1MB3MBUl)
C10H20O2(1MB3MBUg)
C10H20O2(1MBP El)
C10H20O2(1MBP Eg)
C10H20O2(22DMPP El)
C10H20O2(22DMPP Eg)
C10H20O2(2MB2MBUl)
C10H20O2(2MB2MBUg)
C10H20O2(2MB3MBUl)
C10H20O2(2MB3MBUg)
C10H20O2(2MBP El)
C10H20O2(2MBP Eg)
C10H20O2(3MB2MBUl)
C10H20O2(3MB2MBUg)
C10H20O2(3MB3MBUl)
C10H20O2(3MBP El)
C10H20O2(3MBP Eg)
C10H20O2(BHEl)
C10H20O2(BHEg)
C10H20O2(DAC)
C10H20O2(DACl)
C10H20O2(DOD)
C10H20O2(EHAg)
C10H20O2(EOCg)
C10H20O2(EOCa)
C10H20O2(EOCl)
C10H20O2(EOCg)
C10H20O2(HBUl)
C10H20O2(HBUg)
C10H20O2(HPRl)
C10H20O2(HPRg)
C10H20O2(IBHEl)
C10H20O2(IBHEg)
C10H20O2(IPHEl)
C10H20O2(IPHEg)
C10H20O2(IVAg)
C10H20O2(MNOg)
C10H20O2(MNOa)
C10H20O2(MNOl)
C10H20O2(MNOg)
C10H20O2(NDAg)
C10H20O2(NFOl)
C10H20O2(NFOg)
C10H20O2(NOAg)
C10H20O2(OACl)
C10H20O2(P22DMP Rl)
C10H20O2(P22DMP Rg)
C10H20O2(P2MBUl)
C10H20O2(P2MBUg)
C10H20O2(P3MBUl)
C10H20O2(P3MBUg)
C10H20O2(PHEl)
C10H20O2(PHEg)
C10H20O2(PP El)
C10H20O2(PP Eg)
C10H20O2(SBHEl)
C10H20O2(SBHEg)
C10H20O2(T BHEl)
C10H20O2(T BHEg)
C10H20O3(a)
C10H22O(DECl)
C10H22O(DECg)
C10H22O(DECa)
C10H22O(DPEl)
C10H22O(DPEg)
C10H22O(EOEl)
C10H22O(EOEg)
C10H22O(IDCg)
C10H22O(MNEl)
C10H22O(MNEg)
C10H22O2(110D)
C10H22O2(110Dl)
C11H7O(g)
C11H8O(g)
C11H14O2(2345T )
C11H14O2(2346T )
C11H14O2(2356T )
C11H14O2(35D)
C11H16O(PT Ag)
C11H20O2(ET Ag)
C11H20O4(UDA)
C11H20O4(UDAl)
C11H22O(2266T 4Hl)
C11H22O(2UNa)
C11H22O(2UNl)
C11H22O(2UNg)
C11H22O(3UNl)
C11H22O(3UNg)
C11H22O(4UNl)
C11H22O(6UDl)
C11H22O(6UDg)
C11H22O(UALl)
C11H22O(UALg)
C11H22O2(a)
C11H22O2(BHEl)
C11H22O2(BHEg)
C11H22O2(DFOl)
C11H22O2(DFOg)
C11H22O2(DOU)
C11H22O2(ENOl)
C11H22O2(ENOg)
C11H22O2(HBUl)
C11H22O2(HBUg)
C11H22O2(HPEl)
C11H22O2(HPEg)
C11H22O2(IBHEl)
C11H22O2(IBHEg)
C11H22O2(IPOCl)
C11H22O2(IPOCg)
C11H22O2(MDEl)
C11H22O2(MDEg)
C11H22O2(NACl)
C11H22O2(NNOg)
C11H22O2(OPRl)
C11H22O2(OPRg)
C11H22O2(POCl)
C11H22O2(POCg)
C11H22O2(SBHEl)
C11H22O2(SBHEg)
C11H22O2(T BHEl)
C11H22O2(T BHEg)
C11H22O2(UDA)
C11H22O2(UDAl)
C11H24O(4UNg)
C11H24O(ENEl)
C11H24O(ENEg)
C11H24O(MDEl)
C11H24O(MDEg)
C11H24O(UDEl)
C11H24O(UDEg)
C11H24O(UDEa)
C12H8O(DFg)
C12H8O2(DBDg)
C12H10O(DPE)
C12H10O(DPEl)
C12H12O(1ENg)
C12H14O4(DT Pg)
C12H14O6(2BHT g)
C12H16O2(PBA)
C12H20O4(DBMg)
C12H20O4(DCOD)
C12H22O4(DDA)
C12H22O4(DDAl)
C12H22O4(T ESl)
C12H22O11(SUCg)
C12H24O(2DNl)
C12H24O(2DNg)
C12H24O(3DNl)
C12H24O(3DNg)
C12H24O(4DNl)
C12H24O(4DNg)
C12H24O(DALl)
C12H24O(DALg)
C12H24O2(a)
C12H24O2(BOCl)
C12H24O2(BOCg)
C12H24O2(DACl)
C12H24O2(DACg)
C12H24O2(DDA)
C12H24O2(DDAl)
C12H24O2(DOD)
C12H24O2(EDEg)
C12H24O2(EDEa)
C12H24O2(EDEl)
C12H24O2(EDEg)
C12H24O2(HPEl)
C12H24O2(HPEg)
C12H24O2(IBOCl)
C12H24O2(IBOCg)
C12H24O2(IPNOl)
C12H24O2(IPNOg)
C12H24O2(MUDl)
C12H24O2(MUNg)
C12H24O2(NPRl)
C12H24O2(NPRg)
C12H24O2(OBUl)
C12H24O2(OBUg)
C12H24O2(PNOl)
C12H24O2(PNOg)
C12H24O2(SBOCl)
C12H24O2(SBOCg)
C12H24O2(T BOCl)
C12H24O2(T BOCg)
C12H24O2(UFOl)
C12H24O2(UFOg)
C12H26O(DDEl)
C12H26O(DDEg)
C12H26O(DDEa)
C12H26O(DEEl)
C12H26O(DEEg)
C12H26O(DHEl)
C12H26O(DHEg)
C12H26O(MUEl)
C12H26O(MUEg)
C12H32O4(T 1POLg)
C12H32O4(T 2POLg)
C13H10O2(PBE)
C13H10O3(DPC)
C13H22O4(DCOU)
C13H24O4(T DA)
C13H24O4(T DAl)
C13H26O(2T Ng)
C13H26O(3T Ng)
C13H26O(4T Ng)
C13H26O(7T Ng)
C13H26O(T ALl)
C13H26O(T ALg)
C13H26O2(BNOl)
C13H26O2(BNOg)
C13H26O2(DFOl)
C13H26O2(DFOg)
C13H26O2(DOT )
C13H26O2(DPRl)
C13H26O2(DPRg)
C13H26O2(EUNl)
C13H26O2(EUNg)
C13H26O2(IBNOl)
C13H26O2(IBNOg)
C13H26O2(IPDEl)
C13H26O2(IPDEg)
C13H26O2(MDDl)
C13H26O2(MDOg)
C13H26O2(NBUl)
C13H26O2(NBUg)
C13H26O2(OPEl)
C13H26O2(OPEg)
C13H26O2(PDEl)
C13H26O2(PDEg)
C13H26O2(SBNOl)
C13H26O2(SBNOg)
C13H26O2(T BNOl)
C13H26O2(T BNOg)
C13H26O2(T DA)
C13H26O2(T DAl)
C13H26O2(UACl)
C13H26O2(UACg)
C13H28O(DMEl)
C13H28O(DMEg)
C13H28O(EUEl)
C13H28O(EUEg)
C13H28O(T DE)
C13H28O(T DEl)
C13H28O(T DEg)
C14H12O2(BZBg)
C14H14O(DBEg)
C14H24O4(DCOD)
C14H28O(2T Dl)
C14H28O(2T Dg)
C14H28O(2T Ns)
C14H28O(3T Ng)
C14H28O(4T Ng)
C14H28O(T ALl)
C14H28O(T ALg)
C14H28O2(BDEl)
C14H28O2(BDEg)
C14H28O2(DACl)
C14H28O2(DACg)
C14H28O2(DBUl)
C14H28O2(DBUg)
C14H28O2(DOT )
C14H28O2(EDOl)
C14H28O2(EDOg)
C14H28O2(IBDEl)
C14H28O2(IBDEg)
C14H28O2(MT Dl)
C14H28O2(MT Rg)
C14H28O2(NPEl)
C14H28O2(NPEg)
C14H28O2(SBDEl)
C14H28O2(SBDEg)
C14H28O2(T BDEl)
C14H28O2(T BDEg)
C14H28O2(T DA)
C14H28O2(T DAl)
C14H28O2(T FOl)
C14H28O2(T FOg)
C14H28O2(UPRl)
C14H28O2(UPRg)
C14H30O(DEEl)
C14H30O(DEEg)
C14H30O(DHEl)
C14H30O(DHEg)
C14H30O(MT El)
C14H30O(MT Eg)
C14H30O(NT A)
C14H30O(NT Al)
C14H30O(T DEg)
C14H44O4(DCODC)
C15H16O(PCUg)
C15H16O2(BSPg)
C15H24O(DBCg)
C15H24O(NNPg)
C15H26O4(DCOT )
C15H30O(2PDl)
C15H30O(2PDg)
C15H30O(2PNg)
C15H30O(2PNs)
C15H30O(3PNg)
C15H30O(4PNg)
C15H30O(8PNg)
C15H30O(PALg)
C15H30O2(DOP)
C15H30O2(DPEl)
C15H30O2(DPEg)
C15H30O2(DPRl)
C15H30O2(DPRg)
C15H30O2(ET Rl)
C15H30O2(ET Rg)
C15H30O2(MT Dl)
C15H30O2(MT Eg)
C15H30O2(PDA)
C15H30O2(PDAl)
C15H30O2(T ACl)
C15H30O2(T ACg)
C15H30O2(T BUNl)
C15H30O2(T BUNg)
C15H30O2(T FOl)
C15H30O2(T FOg)
C15H30O2(UBUl)
C15H30O2(UBUg)
C15H32O(ET El)
C15H32O(ET Eg)
C15H32O(MT El)
C15H32O(MT Eg)
C15H32O(NPA)
C15H32O(NPAl)
C15H32O(PDEg)
C16H22O4(DBP g)
C16H28O4(DCOT )
C16H32O(2HNg)
C16H32O(3HNg)
C16H32O(4HNg)
C16H32O(HALg)
C16H32O2(DBUl)
C16H32O2(DBUg)
C16H32O2(DOH)
C16H32O2(ET El)
C16H32O2(ET Eg)
C16H32O2(HDA)
C16H32O2(HDAl)
C16H32O2(MPDl)
C16H32O2(MPEg)
C16H32O2(PFOl)
C16H32O2(PFOg)
C16H32O2(T ACl)
C16H32O2(T ACg)
C16H32O2(T BDOl)
C16H32O2(T BDOg)
C16H32O2(T PRl)
C16H32O2(T PRg)
C16H32O2(UPEl)
C16H32O2(UPEg)
C16H34O(CAL)
C16H34O(CALl)
C16H34O(DOEl)
C16H34O(DOEg)
C16H34O(ET El)
C16H34O(ET Eg)
C16H34O(HDEg)
C16H34O(MPEl)
C16H34O(MPEg)
C16H40O4(T 2BOLg)
C16H40O4(T T BOLg)
C17H30O4(DCOP )
C17H34O(2HNg)
C17H34O(3HNg)
C17H34O(4HNg)
C17H34O(9HNg)
C17H34O(HALg)
C17H34O2(DOH)
C17H34O2(DPEl)
C17H34O2(DPEg)
C17H34O2(EP El)
C17H34O2(EP Eg)
C17H34O2(HDA)
C17H34O2(HDAl)
C17H34O2(HFOg)
C17H34O2(MHD)
C17H34O2(MHDl)
C17H34O2(MHEg)
C17H34O2(MHEs)
C17H34O2(PACl)
C17H34O2(PACg)
C17H34O2(T BT Rl)
C17H34O2(T BT Rg)
C17H34O2(T BUl)
C17H34O2(T BUg)
C17H34O2(T PRl)
C17H34O2(T PRg)
C17H36O(EP El)
C17H36O(EP Eg)
C17H36O(HDEg)
C17H36O(HMEl)
C17H36O(HMEg)
C17H36O(NHD)
C17H36O(NHDl)
C18H32O2(LNAg)
C18H32O4(DCOH)
C18H34O2(OLAg)
C18H34O4(DBSg)
C18H34O4(DHAg)
C18H36O(2ONg)
C18H36O(3ONg)
C18H36O(4ONg)
C18H36O(OALg)
C18H36O2(DOO)
C18H36O2(EHEl)
C18H36O2(EHEg)
C18H36O2(HACl)
C18H36O2(HACg)
C18H36O2(HFOg)
C18H36O2(MHEl)
C18H36O2(MHEg)
C18H36O2(MHEs)
C18H36O2(ODA)
C18H36O2(ODAl)
C18H36O2(PP Rl)
C18H36O2(PP Rg)
C18H36O2(T BT El)
C18H36O2(T BT Eg)
C18H36O2(T BUl)
C18H36O2(T BUg)
C18H36O2(T PEl)
C18H36O2(T PEg)
C18H38O(DNEl)
C18H38O(DNEg)
C18H38O(EHEl)
C18H38O(EHEg)
C18H38O(HMEl)
C18H38O(HMEg)
C18H38O(NOD)
C18H38O(NODl)
C18H38O(ODEg)
C19H34O4(DCOH)
C19H36O2(MEOg)
C19H38O(10NNg)
C19H38O(2NNg)
C19H38O(3NNg)
C19H38O(4NNg)
C19H38O(NALg)
C19H38O2(DON)
C19H38O2(EHEg)
C19H38O2(HACg)
C19H38O2(HPRl)
C19H38O2(HPRg)
C19H38O2(MOCl)
C19H38O2(MOCg)
C19H38O2(MOCs)
C19H38O2(NDA)
C19H38O2(NDAl)
C19H38O2(OFOg)
C19H38O2(PBUg)
C19H38O2(T PEg)
C19H40O(EHEl)
C19H40O(EHEg)
C19H40O(MOEl)
C19H40O(MOEg)
C19H40O(NDEg)
C19H40O(NND)
C19H40O(NNDl)
C20H30O2(ABAg)
C20H36O4(DCOO)
C20H40O(2INg)
C20H40O(3INg)
C20H40O(4INg)
C20H40O(IALg)
C20H40O2(DOE)
C20H40O2(EAC)
C20H40O2(EACl)
C20H40O2(EOCg)
C20H40O2(HBUg)
C20H40O2(HPRl)
C20H40O2(HPRg)
C20H40O2(MNOl)
C20H40O2(MNOg)
C20H40O2(MNOs)
C20H40O2(NFOg)
C20H40O2(OACg)
C20H40O2(PP Eg)
C20H42O(DDEl)
C20H42O(DDEg)
C20H42O(EICg)
C20H42O(EOEl)
C20H42O(EOEg)
C20H42O(MNEl)
C20H42O(MNEg)
C20H42O(NEA)
C20H42O(NEAl)
C21H38O4(DCON)
C21H42O2(DOHE)
C21H42O2(ENOg)
C21H42O2(HBUg)
C21H42O2(HPEg)
C21H42O2(IFOg)
C21H42O2(MICl)
C21H42O2(MICg)
C21H42O2(MICs)
C21H42O2(NACg)
C21H42O2(OPRg)
C22H40O4(DCOE)
C22H44O2(DODC)
C22H44O2(EICg)
C22H44O2(HPEg)
C22H44O2(IACg)
C22H44O2(NBSg)
C22H44O2(NPRg)
C22H44O2(OBUg)
C23H42O4(DCOHE)
C23H46O2(DOT C)
C23H46O2(IPRg)
C23H46O2(NBUg)
C23H46O2(OPEg)
C24H38O4(DOPg)
C24H42O(DNPg)
C24H48O2(DOT C)
C24H48O2(IBUg)
C24H48O2(NPEg)
C25H46O4(DCOT C)
C25H50O2(DOPC)
C25H50O2(IPEg)
C26H48O4(DCOT C)
C26H52O2(DOHC)
C27H50O4(DCOP C)
C27H54O2(DOHC)
C28H46O4(DSP g)
C28H52O4(DCOHC)
C28H56O2(DOOC)
C29H54O4(DCOHC)
C29H58O2(DONC)
C30H56O4(DCOOC)
C30H60O2(DOT C)
C31H58O4(DCONC)
C31H62O2(DOHE)
C32H60O4(DCOT C)
C32H64O2(DODT C)
C33H61O4(DCOHT C)
C33H66O2(DOT T C)
C34H64O4(DCODT C)
C34H68O2(DOT T C)
C35H66O4(DCOT T C)
C35H70O2(DOPT C)
C36H68O4(DCOT T C)
C36H72O2(DOHT C)
C37H71O4(DCOP T C)
C37H74O2(DOHT C)
C38H72O4(DCOHT C)
C38H76O2(DOOT C)
C39H74O4(DCOHT C)
C39H78O2(DONT C)
C40H76O4(DCOOT C)
C40H80O2(DOT C)
C41H78O4(DCONT C)
C42H80O4(DCOT C)
CHO2(-a)
C2H3O2(-a)
C2H3O3(-a)
C3H2O4(-2a)
C3H3O4(-a)
C3H5O2(-a)
C3H5O3(-a)
C4H4O4(-2a)
C4H5O4(-a)
C4H7O2(-a)
C4H7O3(-a)
C5H6O4(-2a)
C5H7O4(-a)
C5H9O2(-a)
C5H9O3(-a)
C6H8O4(-2a)
C6H9O4(-a)
C6H11O2(-a)
C6H11O3(-a)
C7H5O2(-a)
C7H10O4(-2a)
C7H11O4(-a)
C7H13O2(-a)
C7H13O3(-a)
C8H12O4(-2a)
C8H13O4(-a)
C8H15O2(-a)
C8H15O3(-a)
C9H14O4(-2a)
C9H15O4(-a)
C9H17O2(-a)
C9H17O3(-a)
C10H16O4(-2a)
C10H17O4(-a)
C10H19O2(-a)
C10H19O3(-a)
C11H21O2(-a)
C12H23O2(-a)
C12HOCl7(1234678HCDFg)
C12HO2Cl7(1234678HCDBDg)
C12HO2Cl7(1234679HCDBDg)
C12H2OCl6(123467HCDBFg)
C12H2O2Cl6(123467HCDBDg)
C12H3OCl5(12346PCDFg)
C12H3O2Cl5(12346PCDBDg)
C12H4OCl4(1234T CDFg)
C12H4O2Cl4(1234T CDBDg)
C12H4O2Cl6(g)
C12H5OCl3(123T CDBFg)
C12H6OCl2(12DCDFg)
C12H6OCl2(13DCDFg)
C12H6OCl2(14DCDFg)
C12H6OCl2(16DCDFg)
C12H6OCl2(17DCDFg)
C12H6OCl2(18DCDFg)
C12H6OCl2(19DCDFg)
C12H6OCl2(23DCDFg)
C12H6OCl2(24DCDFg)
C12H6OCl2(26DCDFg)
C12H6OCl2(27DCDFg)
C12H6OCl2(28DCDFg)
C12H6OCl2(34DCDFg)
C12H6OCl2(36DCDFg)
C12H6OCl2(37DCDFg)
C12H6OCl2(46DCDFg)
C12H6O2Cl2(12DCDBDg)
C12H7OCl(1CDFg)
C12H7OCl(2CDFg)
C12H7OCl(3CDFg)
C12H7OCl(4CDFg)
C12H7O2Cl(1CDBDg)
C12H7O2Cl(2CDBDg)
CH2OH(g)
CH3OH(l)
CH3OH(g)
CH3OH(a)
C2H5OH(a)
C3H7OH(a)
C4H9OH(a)
C5H11OH(a)
C6H5OH(a)
C6H13OH(a)
C7H15OH(a)
C8H17OH(a)
C6H8O7*H2O(CAM)
C6H11O2K
CHO6N3(g)
CH3O2N(l)
CH6O2N2
C2H4O4N2(g)
C2H5O3N(l)
CH3ONO(g)
CH3ONO2(g)
C2H5ONO2(g)
C3H7ONO2(IPNl)
C3H7ONO2(IPNg)
C3H7ONO2(NPNl)
C3H7ONO2(NPNg)
CH4O3S(MSAg)
C2H4OS(g)
C2H4O2S(T HGg)
C2H6OS(l)
C2H6OS(g)
C2H6OS(2MCAg)
C2H6O2S
C2H6O2S(g)
C2H6O4S(DISg)
C3H2OS2(13DT 2Ng)
C3H6O2S(3MECg)
C3H8OS(EMSXg)
C3H8O2S(EMSNg)
C4H8O2S(SLFg)
C4H10OS(DESXg)
C4H10OS(ET Hg)
C4H10OS(IMSg)
C4H10OS(M1MESXg)
C4H10OS(MP SXg)
C4H10O2S(DESNg)
C4H10O2S(M1MESNg)
C4H10O2S(MP SNg)
C4H10O2S(T DGg)
C4H10O4S(DESg)
C5H10O2S(3MSLg)
C5H12OS(BMSXg)
C5H12OS(E1MPSXg)
C5H12OS(EPSXg)
C5H12OS(M1MP SXg)
C5H12OS(M2MP SXg)
C5H12OS(T BMSXg)
C5H12O2S(BMSNg)
C5H12O2S(EIPSNg)
C5H12O2S(EPSNg)
C5H12O2S(M1MP SNg)
C5H12O2S(M2MP SNg)
C5H12O2S(T BMSNg)
C6H14OS(BESXg)
C6H14OS(MP SXg)
C6H14O2S(BESNg)
C6H14O2S(DP Sg)
C6H14O2S(MP SNg)
C2H7O3SN
C6H18OSi2(HMDl)
C6H18OSi2(HMSg)
C6H18O3Si3(HMCg)
(C2H5O)4Si(l)
CHP(g)
C4H12Pb(T MLg)
CH4S(l)
CH4S(g)
CH4S(a)
C2H4S(ESg)
C2H4S(ESl)
C2H6S(l)
C2H6S(g)
C2H6S(a)
C2H6S(EET l)
C2H6S(EET g)
C2H6S(EET a)
C2H6S2(l)
C2H6S2(g)
C2H6S2(a)
C2H6S2(12ET El)
C2H6S2(12ET Eg)
C2H6S2(DMDSl)
C2H6S3(g)
C2H6S3(a)
C3H6S(T CBl)
C3H6S(T CBg)
C3H8S(1P AT g)
C3H8S(1P T l)
C3H8S(1P T a)
C3H8S(2P AT g)
C3H8S(2P T l)
C3H8S(EMSl)
C3H8S(EMSg)
C3H8S2(13P l)
C3H8S2(13P T g)
C3H8S2(EMDSg)
C3H8S2(EMDSl)
C3H8S2(EMDSg)
C4H4S(T HIl)
C4H4S(T HIg)
C4H4S(T HIs)
C4H6S(23DHT Hg)
C4H6S(25DHT Hg)
C4H8S(T CPl)
C4H8S(T CPg)
C4H10S(1BET g)
C4H10S(1BT a)
C4H10S(1BT l)
C4H10S(2BET g)
C4H10S(2BT l)
C4H10S(2BT a)
C4H10S(2M1P l)
C4H10S(2M1P g)
C4H10S(2M2P l)
C4H10S(2M2P g)
C4H10S(2M2P a)
C4H10S(2RSBT g)
C4H10S(DESl)
C4H10S(DESg)
C4H10S(DESa)
C4H10S(IP Ml)
C4H10S(IP Mg)
C4H10S(MP Sl)
C4H10S(MP Sg)
C4H10S(MP Sa)
C4H10S2(14Bl)
C4H10S2(14BT g)
C4H10S2(DEDl)
C4H10S2(DEDa)
C4H10S2(DIMg)
C4H10S2(EDSg)
C4H10S2(IP MDSg)
C4H10S2(MP DSl)
C4H10S2(MP DSg)
C5H6S(2MT Hl)
C5H6S(2MT Hg)
C5H6S(3MT Hl)
C5H6S(3MT Hg)
C5H8S(23DH2MT Hg)
C5H8S(23DH3MT Hg)
C5H8S(23DH4MT Hg)
C5H8S(23DH5MT Hg)
C5H8S(25DH2MT Hg)
C5H8S(25DH3MT Hg)
C5H10S(2MT l)
C5H10S(2MT g)
C5H10S(3MT l)
C5H10S(3MT g)
C5H10S(CPT l)
C5H10S(CPT g)
C5H10S(T CHl)
C5H10S(T CHg)
C5H12S(1P AT g)
C5H12S(1P T l)
C5H12S(1P T a)
C5H12S(22D1P l)
C5H12S(22DM1P T g)
C5H12S(2M1Bg)
C5H12S(2M1Bl)
C5H12S(2M1Bg)
C5H12S(2M2Bl)
C5H12S(2M2BT g)
C5H12S(2P T l)
C5H12S(2RSM1BT g)
C5H12S(2RSP T g)
C5H12S(3M1Bl)
C5H12S(3M1BT g)
C5H12S(3M1Ba)
C5H12S(3M1BT g)
C5H12S(3M2Bl)
C5H12S(3M2RSBT g)
C5H12S(3P T g)
C5H12S(BMSg)
C5H12S(BMSl)
C5H12S(EIPSg)
C5H12S(EPSl)
C5H12S(EPSg)
C5H12S(IBMSl)
C5H12S(IBMSg)
C5H12S(IP Eg)
C5H12S(IP El)
C5H12S(IP Eg)
C5H12S(M1MP Sl)
C5H12S(M1MP Sg)
C5H12S(T BMl)
C5H12S(T BMg)
C5H12S2(15BT g)
C5H12S2(15P l)
C5H12S2(BMDSl)
C5H12S2(BMDSg)
C5H12S2(EPDSg)
C5H12S2(EPDSl)
C5H12S2(EPDSg)
C6H6S(BT Hl)
C6H6S(BT Hg)
C6H6S(BT Hs)
C6H8S(23DMT Hl)
C6H8S(23DMT Hg)
C6H8S(24DMT Hl)
C6H8S(24DMT Hg)
C6H8S(25DMT Hl)
C6H8S(25DMT Hg)
C6H8S(2ET Hl)
C6H8S(34DMT Hl)
C6H8S(34DMT Hg)
C6H8S(3ET Hl)
C6H12S(2MT Cl)
C6H12S(CHMg)
C6H12S(CHT l)
C6H12S(CPMl)
C6H12S(CPMg)
C6H12S(T CHl)
C6H12S(T CHg)
C6H12S(cDMT Cl)
C6H12S(tDMT Cl)
C6H14S(1HT l)
C6H14S(1HT g)
C6H14S(1HT Og)
C6H14S(1HT a)
C6H14S(22DM1BT g)
C6H14S(23D2Bl)
C6H14S(23DM2BT g)
C6H14S(2E1BT g)
C6H14S(2HT l)
C6H14S(2M2P l)
C6H14S(2M2P T g)
C6H14S(2M3RSP T g)
C6H14S(2RS3DM1BT g)
C6H14S(2RSHT g)
C6H14S(2RSM1P T g)
C6H14S(33DM1BT g)
C6H14S(33DM2RSBT g)
C6H14S(3M3P T g)
C6H14S(3RSHT g)
C6H14S(3RSM1P T g)
C6H14S(3RSM2RSP T g)
C6H14S(4M1P T g)
C6H14S(4M2RSP T g)
C6H14S(BESg)
C6H14S(BESl)
C6H14S(DIP l)
C6H14S(DIP a)
C6H14S(DIP g)
C6H14S(DP Sl)
C6H14S(DP Sg)
C6H14S(DP Sa)
C6H14S(MP Sg)
C6H14S(MP Sl)
C6H14S(NHMg)
C6H14S(T BEg)
C6H14S(T BEl)
C6H14S(T BEg)
C6H14S2(BEDSg)
C6H14S2(DIP DSg)
C6H14S2(DP Dl)
C6H14S2(DP Da)
C6H14S2(DP Dg)
C6H14S2(DP DSl)
C6H14S2(E1MPDSg)
C6H14S2(MP DSg)
C7H8S(MP Sl)
C7H8S(P MT g)
C7H8S(P MT l)
C7H8S(P MT g)
C7H8S(P T Es)
C7H10S(IP T l)
C7H10S(IP T g)
C7H14S(c26DMT Cl)
C7H14S(t26DMT Cl)
C7H16S(1HT l)
C7H16S(1HT g)
C7H16S(1HT a)
C7H16S(223T M1BT g)
C7H16S(22DM1P T g)
C7H16S(233T M2BT g)
C7H16S(23RSDM2P T g)
C7H16S(23RSDM3P T g)
C7H16S(2E2M1BT g)
C7H16S(2HT l)
C7H16S(2M2HT g)
C7H16S(2M3RSHT g)
C7H16S(2RS33T M1BT g)
C7H16S(2RS3RSDM1P T g)
C7H16S(2RS4DM1P T g)
C7H16S(2RSE3M1BT g)
C7H16S(2RSHT g)
C7H16S(2RSM1HT g)
C7H16S(33DM1P T g)
C7H16S(33DM2RSP T g)
C7H16S(3E1PT g)
C7H16S(3E2RSPT g)
C7H16S(3E3PT g)
C7H16S(3RS4DM1P T g)
C7H16S(3RS4DM2RSP T g)
C7H16S(3RSHT g)
C7H16S(3RSM1HT g)
C7H16S(3RSM2RSHT g)
C7H16S(3RSM3HT g)
C7H16S(44DM1P T g)
C7H16S(44DM2RSP T g)
C7H16S(4HT g)
C7H16S(4RSM1HT g)
C7H16S(4RSM2RSHT g)
C7H16S(4RSM3RSHT g)
C7H16S(5M1HT g)
C7H16S(5M2RSHT g)
C7H16S(5M3RSHT g)
C7H16S(BPSg)
C7H16S(BPSl)
C7H16S(BPSg)
C7H16S(EPSl)
C7H16S(EPSg)
C7H16S(HMSg)
C7H16S(HMSl)
C7H16S(HMSg)
C7H16S(NHP g)
C7H16S2(DT Ng)
C7H16S2(DT Nl)
C7H16S2(DT Ng)
C8H6S(BT Pl)
C8H6S(BT Pg)
C8H6S(BT Ps)
C8H10S(EPSl)
C8H10S2(DBDl)
C8H18S(1OT l)
C8H18S(1OT g)
C8H18S(2233T M1BT g)
C8H18S(223RST M1P T g)
C8H18S(223RST M3P T g)
C8H18S(224T M1P T g)
C8H18S(224T M3RSP T g)
C8H18S(22DE1BT g)
C8H18S(22DM1HT g)
C8H18S(22DM3RSHT g)
C8H18S(23DM3RSHT g)
C8H18S(23RS4T M2P T g)
C8H18S(23RSDM2HT g)
C8H18S(24RSDM2HT g)
C8H18S(24RSDM3RSHT g)
C8H18S(25DM2HT g)
C8H18S(25DM3RSHT g)
C8H18S(2IP 3M1BT g)
C8H18S(2M2HT g)
C8H18S(2M3RSHT g)
C8H18S(2M4RSHT g)
C8H18S(2OT l)
C8H18S(2P 1PT g)
C8H18S(2RS3RS4T M1P T g)
C8H18S(2RS3RSDM1HT g)
C8H18S(2RS5DM1HT g)
C8H18S(2RSE1HT g)
C8H18S(2RSE2M1PT g)
C8H18S(2RSE2M3M1BT g)
C8H18S(2RSE33DM1BT g)
C8H18S(2RSE3RSM1PT g)
C8H18S(2RSE4M1PT g)
C8H18S(2RSIP 1PT g)
C8H18S(2RSM1HT g)
C8H18S(2RSOT g)
C8H18S(334T M2RSP T g)
C8H18S(33DM1HT g)
C8H18S(33DM2RSHT g)
C8H18S(3E2M2PT g)
C8H18S(3E2M3PT g)
C8H18S(3E2RSM1PT g)
C8H18S(3E3HT g)
C8H18S(3E3M1PT g)
C8H18S(3E3M2RSPT g)
C8H18S(3RS44T M2RSP T g)
C8H18S(3RS4RSDM2RSHT g)
C8H18S(3RS5DM1HT g)
C8H18S(3RS5DM2RSHT g)
C8H18S(3RS5DM3HT g)
C8H18S(3RSE1HT g)
C8H18S(3RSE2RSHT g)
C8H18S(3RSE4M1PT g)
C8H18S(3RSE4M2RSPT g)
C8H18S(3RSM1HT g)
C8H18S(3RSM2RSHT g)
C8H18S(3RSM3HT g)
C8H18S(3RSM4RSHT g)
C8H18S(3RSOT g)
C8H18S(44DM1HT g)
C8H18S(44DM2RSHT g)
C8H18S(44DM3RSHT g)
C8H18S(4E1HT g)
C8H18S(4E2RSHT g)
C8H18S(4E3RSHT g)
C8H18S(4M4HT g)
C8H18S(4RS5DM1HT g)
C8H18S(4RSM1HT g)
C8H18S(4RSM2RSHT g)
C8H18S(4RSM3RSHT g)
C8H18S(4RSOT g)
C8H18S(55DM1HT g)
C8H18S(55DM2RSHT g)
C8H18S(55DM3RSHT g)
C8H18S(5RSM1HT g)
C8H18S(5RSM2RSHT g)
C8H18S(5RSM3RSHT g)
C8H18S(6M1HT g)
C8H18S(6M2RSHT g)
C8H18S(6M3RSHT g)
C8H18S(DBSl)
C8H18S(DBSg)
C8H18S(DIBg)
C8H18S(DIBl)
C8H18S(DIBg)
C8H18S(DT BSg)
C8H18S(DT BSl)
C8H18S(DT BSg)
C8H18S(EHSl)
C8H18S(EHSg)
C8H18S(HMSg)
C8H18S(HMSl)
C8H18S(HMSg)
C8H18S(P PSg)
C8H18S2(DBDg)
C8H18S2(DBDl)
C8H18S2(DBDg)
C9H8S(2MBT l)
C9H8S(3MBT l)
C9H8S(4MBT l)
C9H8S(5MBT l)
C9H8S(6MBT l)
C9H8S(7MBT l)
C9H20S(1NT l)
C9H20S(1NT g)
C9H20S(2NT l)
C9H20S(BPSl)
C9H20S(BPSg)
C9H20S(EHSl)
C9H20S(EHSg)
C9H20S(HP Sg)
C9H20S(MOSl)
C9H20S(MOSg)
C9H20S2(DT Ug)
C9H20S2(DT Ul)
C9H20S2(DT Ug)
C10H10S(23DMBT l)
C10H10S(24DMBT l)
C10H10S(25DMBT l)
C10H10S(26DMBT l)
C10H10S(27DMBT l)
C10H10S(34DMBT l)
C10H10S(35DMBT l)
C10H10S(36DMBT l)
C10H10S(37DMBT l)
C10H10S(45DMBT l)
C10H10S(46DMBT l)
C10H10S(47DMBT l)
C10H10S(56DMBT l)
C10H10S(57DMBT l)
C10H10S(67DMBT l)
C10H22S(1DT l)
C10H22S(1DT g)
C10H22S(2DT l)
C10H22S(BHSg)
C10H22S(DIP g)
C10H22S(DIP l)
C10H22S(DIP g)
C10H22S(DP Sl)
C10H22S(DP Sg)
C10H22S(EOSl)
C10H22S(EOSg)
C10H22S(HP Sg)
C10H22S(MNSl)
C10H22S(MNSg)
C10H22S2(DP Dl)
C10H22S2(DP Dg)
C11H24S(1UDT g)
C11H24S(1UT l)
C11H24S(2UT l)
C11H24S(BHSl)
C11H24S(BHSg)
C11H24S(DMSl)
C11H24S(DMSg)
C11H24S(ENSl)
C11H24S(ENSg)
C11H24S(OP Sg)
C12H8S(DBT l)
C12H8S(DBT s)
C12H8S2(T l)
C12H8S2(T s)
C12H10S(l)
C12H10S(s)
C12H26S(1DDT g)
C12H26S(1DT l)
C12H26S(2DT l)
C12H26S(BOSg)
C12H26S(DESl)
C12H26S(DESg)
C12H26S(DHSl)
C12H26S(DHSg)
C12H26S(MUSl)
C12H26S(MUSg)
C12H26S(NP Sg)
C12H26S(T DMg)
C12H26S2(2HDSg)
C12H26S2(DHDl)
C12H26S2(DHDg)
C12H26S2(DHDSl)
C13H10S(12DMDBT l)
C13H10S(13DMDBT l)
C13H10S(14DMDBT l)
C13H10S(16DMDBT l)
C13H10S(17DMDBT l)
C13H10S(18DMDBT l)
C13H10S(1MDBT l)
C13H10S(23DMDBT l)
C13H10S(24DMDBT l)
C13H10S(26DMDBT l)
C13H10S(27DMDBT l)
C13H10S(28DMDBT l)
C13H10S(2MDBT l)
C13H10S(34DMDBT l)
C13H10S(36DMDBT l)
C13H10S(37DMDBT l)
C13H10S(3MDBT l)
C13H10S(46DMDBT l)
C13H10S(4MDBT l)
C13H28S(1T DT g)
C13H28S(1T T l)
C13H28S(2T T l)
C13H28S(BNSl)
C13H28S(BNSg)
C13H28S(DMSl)
C13H28S(DMSg)
C13H28S(DP Sg)
C13H28S(EUSl)
C13H28S(EUSg)
C14H30S(1T DT g)
C14H30S(1T T l)
C14H30S(2T T l)
C14H30S(BDSg)
C14H30S(DESl)
C14H30S(DESg)
C14H30S(HSIg)
C14H30S(MT Sl)
C14H30S(MT Sg)
C14H30S(P USg)
C14H30S2(2HDSg)
C14H30S2(DHDSl)
C15H32S(1P DT g)
C15H32S(1P T l)
C15H32S(2P T l)
C15H32S(BUSg)
C15H32S(DP Sg)
C15H32S(ET Sl)
C15H32S(ET Sg)
C15H32S(MT Sl)
C15H32S(MT Sg)
C16H34S(1HDl)
C16H34S(1HDg)
C16H34S(2HT l)
C16H34S(BDSg)
C16H34S(ET Sl)
C16H34S(ET Sg)
C16H34S(MP Sl)
C16H34S(MP Sg)
C16H34S(OYSg)
C16H34S2(2ODSg)
C16H34S2(DODSl)
C17H36S(1HDT g)
C17H36S(2HT l)
C17H36S(BT Sg)
C17H36S(EPSl)
C17H36S(EPSg)
C17H36S(HMSg)
C17H36S(P T Sg)
C18H36S(c2D6MT Cl)
C18H36S(t2B5DT l)
C18H38S(1ODT g)
C18H38S(BT Sg)
C18H38S(EHSg)
C18H38S(HMSg)
C18H38S(NYSg)
C18H38S(P PSg)
C18H38S2(2NDSg)
C18H38S2(DNDSl)
C19H40S(1NDT g)
C19H40S(BPSl)
C19H40S(BPSg)
C19H40S(EHSg)
C19H40S(HP Sg)
C19H40S(MOSg)
C20H36S(2T D5P T l)
C20H42S(1ET l)
C20H42S(1ET g)
C20H42S(BHSg)
C20H42S(DCSg)
C20H42S(EOSg)
C20H42S(HP Sg)
C20H42S(MNSg)
C20H42S2(DDSl)
C20H42S2(DDSg)
CH6Si(g)
C2H8Si(DMSg)
C3H10Si(T MSg)
(CH3)4Si(l)
(CH3)4Si(g)
(C2H5)4Si(l)
(CH3)2SiH2(g)
CH3SiHCl2(l)
C6H18Si2O(g)
C4H12Sn(T MT g)
C2H6Zn(l)
CI(g)
CI2(g)
CI3(g)
CI4(g)
CI4(T IMg)
CIF3(g)
C6IF5
CN(g)
CN2(g)
C2N(g)
C2N2(g)
C4N(g)
C4N2(g)
C5N(g)
C5N4(T CMg)
CN(+g)
CN(-g)
CN(-a)
CNCl(g)
CNF(g)
C2N4H4
C2N6H12*CO3
CNI
CNI(g)
CNI(ia)
CNN(g)
CN4O8(g)
C2NO(g)
C3N2O(OPDNg)
CNO(-a)
CNS(-a)
CO(g)
CO(a)
CO2(g)
CO2(a)
CO2(0.01barg)
CO2(0.05barg)
CO2(0.1barg)
CO2(0.5barg)
CO2(1000bar)
CO2(100bar)
CO2(10bar)
CO2(10barg)
CO2(1barg)
CO2(2000bar)
CO2(200bar)
CO2(20bar)
CO2(20barg)
CO2(3000bar)
CO2(300bar)
CO2(30bar)
CO2(30barg)
CO2(4000bar)
CO2(400bar)
CO2(40bar)
CO2(40barg)
CO2(5000bar)
CO2(500bar)
CO2(50bar)
CO2(50barg)
CO2(5barg)
CO2(6000bar)
CO2(600bar)
CO2(60bar)
CO2(60barg)
CO2(7000bar)
CO2(700bar)
CO2(70bar)
CO2(70barg)
CO2(8000bar)
CO2(800bar)
CO2(80bar)
CO2(900bar)
CO2(90bar)
C2O(g)
C3O2(l)
C3O2(g)
CO(+g)
CO2(+g)
CO2(-g)
CO3(-2a)
C2O4(-2a)
COBr2(g)
COCl(g)
COCl2(g)
C2O2Cl2(g)
C12OCl8(12346789OCDFg)
C12O2Cl8(OCDBDg)
COClF(g)
COF(g)
COF2(g)
COOH(g)
(COOH)2
(COOH)2(ia)
COS(g)
CP(g)
CP2(g)
C2P(g)
C2P2(g)
CS(g)
CS2(l)
CS2(g)
CS2(a)
CSCl2(g)
CSF8(g)
CSe(g)
CSe2(l)
CSe2(g)
CT e(g)
Ca
Ca(g)
Ca(A)
Ca(B)
Ca2(g)
Ca(+2g)
Ca(+2a)
Ca(+g)
CaAl2
CaAl4
CaAl2Cl8(g)
CaAl3Cl11(g)
Ca4Al4*MgAl*Si6O21(OH)7
CaAl2O4(ia)
Ca2Al4Si8H14O31(L)
CaAl2SiO6
Ca3(Al2Si2O8)3*CaCO3
CaAl2Si4O12*2H2O
CaAl2Si4O12*4H2O
CaAl2Si7O18*6H2O
CaAl2Si7O18*7H2O
Ca2Al4Si14O36*14H2O
CaAl2Si3O10(OH)2
CaAl4Si2O10(OH)2
Ca2Al2SiO6(OH)2
Ca2Al2Si3O10(OH)2
Ca2Al2Si3O10(OH)2(P)
Ca2Al3Si3O12*OH
Ca2Al3Si3O12(OH)(Z)
CaAl2Si2O7(OH)2*H2O
Ca(AsO2)2
Ca3(AsO4)2
Ca3(AsO4)2(ia)
CaB6
CaB2O4
CaB4O7
Ca2B2O5
Ca3B2O6
CaB3O3(OH)5*4H2O
CaB3O4(OH)3*H2O
CaB2Si2O8
CaBSiO4OH
Ca3Bi2
Ca(BiO2)2
CaBr
CaBr(g)
CaBr2
CaBr2(g)
CaBr2(ia)
CaBr2*6H2O
Ca(BrO3)2
Ca(BrO3)2(ia)
CaBrOH(g)
CaC2
Ca(CH3CO2)2(ia)
Ca(C2H4NO2)2(a)
Ca(C3H6NO2)2(a)
CaC2H4NO2(+a)
CaC3H6NO2(+a)
Ca(CHO2)2(a)
Ca(C3H5O2)(a)
Ca(C2H3O2)2(a)
Ca(C2H3O3)2(a)
Ca(C3H5O2)2(a)
Ca(C3H5O3)2(a)
Ca(C4H7O2)2(a)
Ca(C5H9O2)2(a)
CaCHO2(+a)
CaC2H3O2(+a)
CaC2H3O3(+a)
Ca(C3H5O2)(+a)
CaC3H5O3(+a)
Ca(C4H7O2)(+a)
CaC5H9O2(+a)
CaCN2
Ca(CN)2(ia)
CaCO3
CaCO3(a)
CaCO3(A)
CaCO3(V)
CaCO3(ia)
CaC2O4
CaC2O4(ia)
CaC2O4*H2O
CaCl(g)
CaCl2
CaCl2(g)
CaCl2(a)
CaCl(+a)
CaCl(+g)
CaCl2*H2O
CaCl2*2H2O
CaCl2*4H2O
CaCl2*6H2O
Ca(ClO)2(ia)
Ca(ClO2)2(ia)
Ca(ClO3)2
Ca(ClO3)2(ia)
Ca(ClO4)2
Ca(ClO4)2(ia)
CaCl(OH)(g)
Ca(ClO4)2*4H2O
CaCrO4
CaCrO4(ia)
CaCr2O7(ia)
Ca3Cr2(SiO4)3
CaF(g)
CaF2
CaF2(l)
CaF2(g)
CaF2(ia)
CaF(+a)
CaF(+g)
CaF(OH)(g)
Ca2FeAl2Si3O12OH
Ca2FeAl2Si3O12OH(OE)
CaFe(CN)6(-ia)
Ca2Fe(CN)6(ia)
Ca3Fe2(CN)12(ia)
CaFe(CN)6(-a)
CaFe(CN)6(-2a)
CaFe3O5
CaFe5O7
(CaFe)0.5SiO3
CaFeSiO4
CaFe(SiO3)2
Ca3Fe2Si3O12
Ca2Fe5Si8O24H2
Ca2Fe5Si8O22(OH)2
CaGaCl5(g)
CaGa2Cl8(g)
Ca3Ga2Ge3O12
CaGa2O4
CaGa4O7
Ca2Ge
CaGeO3
Ca2GeO4
Ca3GeO5
CaH(g)
CaH2
CaHCO3(+a)
CaHP O4
CaHP O4(ia)
Ca(H2P O4)2
Ca(H2P O4)2(ia)
CaHP O4*2H2O
Ca(H2P O4)2*H2O
Ca(HSiO3)(+a)
CaI
CaI(g)
CaI2
CaI2(g)
CaI2(ia)
Ca(I3)2(ia)
Ca(IO3)2
Ca(IO3)2(ia)
CaI(OH)(g)
Ca(IO3)2*H2O
Ca(IO3)2*6H2O
CaMg2
Ca19Mg2Al11Si18O69(OH)9
CaMg(CO3)2
CaMg(CO3)2(D)
CaMg(CO3)2(O)
CaMg3(CO3)4
(CaMg)0.5SiO3
(CaMg)0.5SiO3(CL)
CaMgSiO4
CaMgSi2O6
Ca2MgSi2O7
Ca2Mg5Si8O24H2
Ca(MnO4)2
Ca(MnO4)2(ia)
CaMoO3
CaMoO4
CaMoO4(ia)
Ca3N2
Ca(NO3)2
Ca(NO3)2(ia)
Ca(NO3)2*2H2O
Ca(NO3)2*3H2O
Ca(NO3)2*4H2O
Ca2NaAl5Si13O36*16H2O
CaO
CaO(l)
CaO(g)
CaO(L)
CaO2
CaO*Al2O3
CaO*2Al2O3
CaO*6Al2O3
*2CaO*Al2O3
*3CaO*Al2O3
*12CaO*7Al2O3
*4CaO*Al2O3*Fe2O3
*3CaO*Al2O3*6H2O
*4CaO*Al2O3*13H2O
CaO*Al2O3*SiO2
CaO*Al2O3*2SiO2
*2CaO*Al2O3*SiO2
*2CaO*Al2O3*SiO2(D)
*3CaO*Al2O3*3SiO2
*2CaO*3B2O3
CaOCl2
CaO*Cr2O3
CaO*Fe2O3
*2CaO*Fe2O3
CaO*GeO2
CaOH(g)
Ca(OH)2
Ca(OH)2(g)
Ca(OH)2(ia)
CaOH(+g)
CaOH(+a)
Ca(OH)2*Ca3(P O4)2
CaO*HfO2
CaO*MgO
CaO*MgO*SiO2
CaO*MgO*2SiO2
*2CaO*MgO*2SiO2
*3CaO*MgO*2SiO2
*2CaO*5MgO*8SiO2*H2O
CaO*Nb2O5
CaO*Nb2O5(ia)
*2CaO*SiO2
*3CaO*SiO2
*3CaO*2SiO2
CaO*2SiO2*2H2O
*2CaO*SiO2*1.167H2O
*2CaO*3SiO2*2.5H2O
*3CaO*2SiO2*3H2O
*4CaO*3SiO2*1.5H2O
*5CaO*6SiO2*3H2O
*5CaO*6SiO2*5.5H2O
*5CaO*6SiO2*10.5H2O
*6CaO*6SiO2*H2O
CaO*T iO2
*4CaO*3T iO2
CaO*UO3
CaO*V2O5
*3CaO*V2O5
CaO*WO3
*3CaO*WO3
*0.17CaO*0.83ZrO2
Ca3P 2
Ca(P O3)2
Ca2P 2O7
Ca2P 2O7(ia)
Ca3(P O4)2
Ca3(P O4)2(A)
Ca3(P O4)2(B)
Ca3(P O4)2(ia)
*3Ca3(P O4)2*CaF2
*3Ca3(P O4)2*Ca(OH)2
Ca5(P O4)3F
Ca5(P O4)3OH
Ca5(P O4)3OH(ia)
CaP b
Ca2P b
Ca2P bO4
Ca2P b3Si3O11
Ca(ReO4)2(ia)
CaS
CaS(g)
CaS(ia)
Ca(SCN)2(ia)
CaSO3
CaSO3(ia)
CaSO4
CaSO4(a)
CaSO4(A)
CaSO4(B)
CaSO4(ia)
CaS2O3(ia)
CaSO3*0.5H2O
CaSO3*2H2O
CaSO4*0.5H2O
CaSO4*0.5H2O(A)
CaSO4*0.5H2O(B)
CaSO4*2H2O
Ca3Sb2
Ca(SbO3)2
Ca2Sb2O7
Ca3(SbO4)2
CaSe
CaSe(ia)
CaSeO3(ia)
CaSeO4
CaSeO4(ia)
CaSeO3*2H2O
CaSeO4*2H2O
CaSi
CaSi2
Ca2Si
CaSiF6
CaSiF6(ia)
CaSiF6*2H2O
CaSiO3
CaSiO3(C)
CaSiO3(P )
Ca2SiO4(A)
Ca2SiO4(AA)
Ca2SiO4(B)
Ca2SiO4(L)
Ca2SiO4(O)
Ca3SiO5
Ca3Si2O7
Ca3Si2O7*2CaCO3
*2Ca2SiO4*CaCO3
CaSn
Ca2Sn
CaSnO3
Ca2SnO4
CaT e
CaT eO3
CaT eO3(ia)
CaT eO3*H2O
Ca3T i2O7
CaT iSiO5
Ca(UO2)2(P O4)2
Ca(UO2)2(VO4)2
CaU(P O4)2*2H2O
CaV2O6
CaV2O6(ia)
Ca2V2O7
Ca3V2O8
CaWO4
CaWO4(ia)
CaZn
CaZn2
CaZrO3
CaZrT i2O7
Cd
Cd(l)
Cd(g)
Cd(A)
Cd(+2g)
Cd(+2a)
Cd(+g)
CdAl2Cl8(g)
CdAs2
Cd3As2
Cd3(AsO4)2
CdBr(g)
CdBr2
CdBr2(g)
CdBr2(a)
CdBr2(ia)
Cd2Br4(g)
CdBr(+a)
CdBr3(-a)
CdBr4(-2a)
CdBr2*4H2O
Cd(BrO3)2(ia)
Cd(CH3)2(l)
Cd(CH3CO2)2(ia)
Cd(CH3COO)2(a)
CdCH3COO(+a)
Cd(CH3COO)3(-a)
Cd(C2H4NO2)2(a)
Cd(C3H6NO2)2(a)
CdC2H4NO2(+a)
CdC3H6NO2(+a)
Cd(CHO2)2(a)
Cd(C2H3O3)2(a)
Cd(C3H5O2)2(a)
Cd(C3H5O3)2(a)
Cd(C4H7O2)2(a)
Cd(C5H9O2)2(a)
Cd(CHO2)(+a)
CdC2H3O3(+a)
Cd(C3H5O2)(+a)
CdC3H5O3(+a)
Cd(C4H7O2)(+a)
Cd(C5H9O2)(+a)
Cd(CN)2
Cd(CN)2(ia)
Cd(CN)4(-2a)
Cd(CNS)2(ia)
CdCO3
CdCO3(ia)
CdC2O4(ia)
CdCl(g)
CdCl2
CdCl2(g)
CdCl2(a)
Cd2Cl4(g)
CdCl(+a)
CdCl3(-a)
CdCl4(-2a)
CdCl2*H2O
CdCl2*2.5H2O
CdCl2*6NH3
Cd(ClO)2(ia)
Cd(ClO2)2(ia)
Cd(ClO3)2(ia)
Cd(ClO4)2(ia)
CdCrO4(ia)
CdCr2O7(ia)
CdCr2S4
CdD(g)
CdF(g)
CdF2
CdF2(g)
CdF2(a)
Cd2F4(g)
CdF(+a)
CdF(+g)
CdFe2Cl8(g)
CdGa2S4
CdGa8S13
CdH(g)
Cd(H3)(T g)
Cd(H2O)2NO3(+a)
CdI(g)
CdI2
CdI2(g)
CdI2(a)
CdI2(ia)
Cd2I4(g)
CdI(+a)
CdI3(-a)
CdI4(-2a)
Cd(IO3)2(ia)
CdIn2S4
CdMg3
CdMn2O4
Cd(MnO4)2(ia)
CdMoO4
CdMoO4(ia)
Cd(N3)2(ia)
CdNH3(+2a)
Cd(NH3)2(+2a)
Cd(NH3)3(+2a)
Cd(NH3)4(+2a)
Cd(NH3)5(+2a)
Cd(NH3)6(+2a)
Cd(NH2CH3)2(+2a)
Cd(NH2CH3)4(+2a)
Cd(NO2)2(a)
Cd(NO2)2(ia)
Cd(NO3)2
Cd(NO3)2(ia)
CdNO2(+a)
Cd(NO2)3(-a)
Cd(NO3)2*2H2O
Cd(NO3)2*4H2O
CdO
CdO(g)
CdO(a)
CdO2(-2a)
CdO*Al2O3
(CdO)2*CdSO4
CdO*Ga2O3
Cd(OH)(g)
Cd(OH)2
Cd(OH)2(g)
Cd(OH)2(ia)
CdOH(+a)
Cd(OH)4(-2a)
Cd2OH(+3a)
Cd4(OH)4(+4a)
CdOHBr
CdOHCl
CdO*T iO2
CdO*T iO2(R)
CdO*WO3
CdP 2
CdP 4
Cd2P 3
Cd3P 2
Cd2P 2O7(ia)
Cd3(P O4)2(ia)
CdS
CdS(g)
CdS(ia)
Cd(SCN)2(a)
CdSCN(+a)
Cd(SCN)3(-a)
Cd(SCN)4(-2a)
CdSO3(ia)
CdSO4
CdSO4(a)
CdSO4(ia)
CdS2O3(a)
CdS2O3(ia)
Cd(S2O3)2(-2a)
Cd(S2O3)3(-4a)
CdSO4*H2O
CdSO4*2.67H2O
CdSb
Cd3Sb2
CdSe
CdSe(g)
CdSe(ia)
CdSeO3
CdSeO3(ia)
CdSeO4
CdSeO4(ia)
CdSiO3
CdT e
CdT e(g)
CdT eO3(ia)
Cd11U
CdWO4
CdWO4(a)
Ce
Ce(g)
Ce2(g)
Ce(+4g)
Ce(+4a)
Ce(+3g)
Ce(+3a)
Ce(+2g)
Ce(+2a)
Ce(+g)
CeAl2
CeAl4
CeAl3Cl12(g)
CeAlO3
Ce(AsO2)3
CeAu(g)
CeB4
CeB6
Ce(BiO2)3
CeBr3
CeBr3(g)
CeBr3(ia)
CeBr4(ia)
CeBr(+2a)
Ce(BrO3)3(ia)
CeC2
CeC2(g)
CeC4(g)
Ce2C3
Ce(CH3CO2)3(a)
CeCH3CO2(+2a)
Ce(CH3CO2)2(+a)
Ce(CH3COO)3(a)
Ce(CH3COO)(+2a)
Ce(CH3COO)2(+a)
Ce(CHOO)3(ia)
Ce(CN)3(ia)
Ce(C2O4)2(ia)
Ce2CO3
Ce2(CO3)3(ia)
Ce2(C2O4)3(ia)
CeCO3(+a)
Ce2(C2O4)3*10H2O
CeCl3
CeCl3(g)
CeCl3(a)
CeCl4(ia)
CeCl(+2a)
CeCl2(+a)
CeCl4(-a)
CeCl3*7H2O
CeCl3*3KCl
*2CeCl3*3KCl
*3CeCl3*KCl
CeCl3*2NH3
CeCl3*4NH3
CeCl3*8NH3
CeCl3*12NH3
CeCl3*20NH3
CeClO
Ce(ClO4)4(ia)
CeClO4(+2a)
CeCrO3
Ce2(CrO4)3(ia)
Ce2(Cr2O7)3(ia)
CeF3
CeF3(g)
CeF3(a)
CeF4
CeF4(g)
CeF4(ia)
CeF(+2a)
CeF2(+a)
CeF4(-a)
CeH2
CeHCO3(+2a)
CeH2P O4(+2a)
CeI3
CeI3(g)
CeI3(ia)
CeI4(ia)
Ce(IO3)3
Ce(IO3)3(ia)
CeIO3(+2a)
CeIn3
CeMg
Ce(MnO4)3(ia)
Ce(MoO4)2(ia)
Ce2(MoO4)3(ia)
CeN
Ce(NO2)3(ia)
Ce(NO3)3(ia)
Ce(NO3)4(ia)
CeNO3(+2a)
CeO(g)
CeO1.67
CeO1.72
CeO1.78
CeO1.81
CeO1.83
CeO2
Ce2O3
CeO(+a)
CeO2(-a)
Ce2O3*Al2O3
CeO2H(a)
Ce(OH)3(ia)
Ce(OH)4(ia)
CeOH(+2a)
Ce(OH)2(+2a)
Ce2O2S
CeP O4
CeP O4(ia)
CeP O4*2H2O
Ce(ReO4)3
CeS
CeS(g)
CeS2
CeS2(g)
Ce2S(g)
Ce2S3
Ce2S3(ia)
Ce3S4
Ce(SO4)2
Ce2(SO3)3(ia)
Ce2(SO4)3
Ce2(SO4)3(ia)
CeSO4(+a)
Ce(SO4)2(-a)
Ce(SO4)2*5H2O
CeSe
CeSe(g)
Ce2Se3
Ce2(SeO3)3(ia)
Ce2(SeO4)3(ia)
CeSi2
Ce2Si2O7
CeT e
CeT e(g)
Ce2T e3
Ce(WO4)2(a)
Ce2(WO4)3
Ce2(WO4)3(a)
Cf
Cf(g)
Cf(+3ia)
Cf(+g)
CfBr3(ia)
CfCH3COO(+2a)
Cf2(C2O4)3(ia)
CfCl3(ia)
Cf(ClO4)3(ia)
CfF3(ia)
CfF(+2a)
CfI3(ia)
Cf(NO3)3(ia)
Cf(OH)3(ia)
Cf2(SO4)3(ia)
CfSO4(+a)
Cf(SO4)2(-a)
Cl(g)
Cl2(g)
Cl2(a)
Cl3(g)
Cl4(g)
Cl(+g)
Cl(-g)
Cl(-a)
Cl3(-a)
Cl2BO(g)
ClBOH(g)
ClB(OH)2(g)
Cl2BOH(g)
ClClO(g)
ClClO2(g)
Cl2Cu2(g)
ClF(g)
ClF3
ClF3(l)
ClF3(g)
ClF5(g)
ClF2*HF(g)
ClHO4(l)
ClO(g)
ClO2(g)
ClO2(a)
ClO3(g)
Cl2O(g)
Cl2O2(g)
ClO(-g)
ClO(-a)
ClO2(-a)
ClO3(-a)
ClO4(-a)
ClO4(-g)
ClO4(-a)
ClOCl(g)
ClOClO(g)
ClO3F(g)
ClOO(g)
ClO4Rb
Cm
Cm(g)
Cm(+3a)
Cm(+g)
CmBr3(ia)
Cm(CH3COO)3(ia)
CmCH3COO(+2a)
Cm2(C2O4)3(ia)
CmCl3
CmCl3(ia)
Cm(ClO4)3(ia)
CmF3(ia)
CmF(+2a)
CmI3(ia)
Cm(NO3)3(ia)
CmO2
Cm2O3
CmOCl
Cm(OH)3(ia)
Cm(SCN)3(ia)
CmSCN(+2a)
Cm2(SO4)3(ia)
CmSO4(+a)
Cm(SO4)2(-a)
Co
Co(l)
Co(g)
Co2(g)
Co(+3g)
Co(+3a)
Co(+2a)
Co(+2g)
Co(+2a)
Co(+g)
Co(-g)
CoAl
CoAl3
Co2Al5
Co2Al9
CoAl2Cl8(g)
CoAl3Cl11(g)
CoAs
CoAs2
Co2As
Co2As2
Co5As2
Co(AsO2)2
Co3(AsO4)2
CoB
Co2B
Co(BiO2)2
CoBr(g)
CoBr2
CoBr2(g)
CoBr2(ia)
CoBr3(g)
CoBr3(ia)
Co2Br4(g)
CoBr(+a)
CoBr2*6H2O
Co2C
Co(C5H5)2
Co(CH3COO)2(a)
CoCH3COO(+a)
Co(CH3COO)3(-a)
Co(C2H4NO2)2(a)
Co(C3H6NO2)2(a)
CoC2H4NO2(+a)
CoC3H6NO2(+a)
Co(CHO2)2(a)
Co(C2H3O3)2(a)
Co(C3H5O2)2(a)
Co(C3H5O3)2(a)
Co(C4H7O2)2(a)
Co(C5H9O2)2(a)
Co(CHO2)(+a)
CoC2H3O3(+a)
Co(C3H5O2)(+a)
CoC3H5O3(+a)
Co(C4H7O2)(+a)
CoC5H9O2(+a)
Co(CN)2(ia)
CoCO3
CoCO3(ia)
CoC2O4(a)
CoC2O4(ia)
Co2(C2O4)3(ia)
Co2(CO)8
Co(C2O4)2(-2a)
Co(C2O4)3(-4a)
CoCl(g)
CoCl2
CoCl2(g)
CoCl2(ia)
CoCl3(g)
CoCl3(ia)
Co2Cl4(g)
CoCl(+a)
CoCl2*H2O
CoCl2*2H2O
CoCl2*6H2O
Co(ClO3)2(ia)
Co(ClO4)2(ia)
Co(ClO4)3(ia)
CoCrO4(ia)
CoCr2O7(ia)
CoF(g)
CoF2
CoF2(g)
CoF2(ia)
CoF3
CoF3(g)
CoF3(ia)
CoF(+a)
CoFe2Cl8(g)
CoFe2O4
CoGaCl5(g)
CoGa2Cl8(g)
CoH(g)
CoI(g)
CoI2
CoI2(g)
CoI2(ia)
CoI3(g)
CoI3(ia)
Co2I4(g)
Co(IO3)2(ia)
Co(IO3)2*H2O
CoLa2O4
Co3La4O10
Co(MnO4)2(ia)
CoMoO4
CoMoO4(ia)
Co3N
Co(NH3)(+2a)
Co*6(NH3)(+3a)
Co*6(NH3)*Br3(ia)
(Co(NH3)6)Br3
Co*6(NH3)*Br(+2a)
Co(NH2CH2COO)2(a)
CoNH2CH2COO(+a)
Co*5(NH3)*Cl3(ia)
Co(NH3)6*Cl3
Co*6(NH3)*Cl3(ia)
Co*5(NH3)*Cl(+2a)
Co*6(NH3)*Cl(+2a)
Co(NH3)5*Cl*Br2
Co*5(NH3)*ClBr2(ia)
Co(NH3)5*Cl*C2O4
Co(NH3)5Cl*Cl2
Co(NH3)5*Cl*Cl2
(Co(NH3)5Cl)Cl2
Co(NH3)5*Cl*I2
Co(NH3)5*Cl*(NO3)2
Co*5(NH3)*ClN2O6(ia)
Co*6(NH3)*3(ClO4)(ia)
Co(NH3)5H2O(+3a)
Co(NH3)5*H2O*Cl3
Co*6(NH3)*I3(ia)
Co*6(NH3)*I(+2a)
Co*6(NH3)*N3(+2a)
Co*5(NH3)*N3O8(ia)
Co*6(NH3)*(NO3)3
Co*6(NH3)*3(NO3)(ia)
Co*5(NH3)*NO2(+2a)
Co*6(NH3)*SO4(+a)
Co(NO2)2(ia)
Co(NO3)2
Co(NO3)2(ia)
Co(NO3)3(ia)
Co(NO3)2*6H2O
Co2Nb
Co3Nb
CoO
CoO(l)
CoO(g)
CoO(a)
Co3O4
CoO2(-2a)
CoO*Al2O3
CoO*Cr2O3
CoO*Fe2O3
Co(OH)2
Co(OH)2(g)
Co(OH)2(a)
Co(OH)2(ia)
Co(OH)3
Co(OH)3(ia)
CoOH(+2a)
CoOH(+a)
Co2OH(+3a)
Co4(OH)4(+4a)
Co(OH)O(-a)
*2CoO*SiO2
CoO*T iO2
*2CoO*T iO2
CoO*WO3
CoP
CoP3
Co2P
Co3(PO4)2(ia)
CoS0.89
CoS
CoS(g)
CoS1.333
CoS2
Co3S4
Co9S8
CoSO3(ia)
CoSO4
CoSO4(a)
CoSO4(ia)
Co2(SO4)3(ia)
CoSO4*6H2O
CoSO4*7H2O
CoSb0.98
CoSb
CoSb2
CoSb3
Co0.72Se
CoSe0.889
CoSe(g)
CoSe1.11
CoSe1.25
CoSe2
CoSeO3
CoSeO3(ia)
CoSeO4(a)
CoSeO3*2H2O
CoSi
CoSi2
Co2Si
CoSn
CoT e(g)
CoT e2
CoT i2O5
Co7W6
CoWO4
CoZnT iO4
Cr
Cr(g)
Cr(+2ia)
Cr2(g)
Cr(+6g)
Cr(+3g)
Cr(+3a)
Cr(+2g)
Cr(+2a)
Cr(+g)
Cr(-g)
CrAl2Cl8(g)
CrAl2S4
CrAsO4
Cr3(AsO4)2
CrB0.99
CrB
CrB2
Cr3B4
Cr5B3
CrBr
CrBr(g)
CrBr2
CrBr2(g)
CrBr2(ia)
CrBr3
CrBr3(g)
CrBr3(ia)
CrBr4(g)
CrBr(+2a)
CrBrC12H12
Cr3C2
Cr4C
Cr7C3
Cr23C6
Cr(C5H5)2
Cr(C6H6)2
CrC16H20
CrC24H36
Cr(CH3COO)3(ia)
Cr(CHOO)3(ia)
Cr(CN)3(ia)
Cr(CNS)3(ia)
Cr(CO)6
Cr(CO)6(g)
Cr2(CO3)3(ia)
Cr2(C2O4)3(ia)
CrCl
CrCl(g)
CrCl2
CrCl2(g)
CrCl2(ia)
CrCl3
CrCl3(g)
CrCl3(ia)
CrCl4
CrCl4(l)
CrCl4(g)
CrCl5(g)
CrCl6(g)
CrCl(+2a)
CrCl2(+a)
CrClC12H12
CrCl2*2H2O
CrCl2*3H2O
CrCl2*4H2O
CrClO
CrClO(g)
CrCl2O(g)
Cr(ClO4)2(ia)
CrCl3O(g)
Cr(ClO4)3(ia)
CrCl4O(g)
Cr2(CrO4)3(ia)
Cr2(Cr2O7)3(ia)
CrF
CrF(g)
CrF2
CrF2(g)
CrF2(ia)
CrF3
CrF3(g)
CrF3(ia)
CrF4
CrF4(g)
CrF5(g)
CrF6(g)
CrF(+2a)
CrFO(g)
CrFO2(g)
CrF2O(g)
CrF2O2(g)
CrF3O(g)
CrF4O(g)
Cr2FeO4
CrGaCl5(g)
CrGa2Cl8(g)
CrGe
Cr11Ge19
CrH
CrH(g)
CrI
CrI(g)
CrI2
CrI2(g)
CrI2(ia)
CrI3
CrI3(g)
CrI3(ia)
CrI4(g)
Cr2I4(g)
CrIC12H12
CrIC16H20
CrIC18H24
CrIO2Cl2(l)
CrIO2Cl2(g)
CrLaO3
CrLa2O4
Cr2MgO4
Cr(MnO4)3(ia)
Cr2(MoO4)3(ia)
CrN
CrN(g)
Cr2N
Cr(NO3)2(ia)
Cr(NO2)3(ia)
Cr(NO3)3(ia)
CrNO3(+2a)
CrNaO2
Cr2Nb
CrO(g)
CrO2
CrO2(g)
CrO3
CrO3(g)
Cr2O(g)
Cr2O2(g)
Cr2O3
Cr2O3(g)
Cr5O12
Cr8O21
CrO(+a)
CrO2(-a)
CrO3(-g)
CrO4(-2a)
Cr2O7(-2a)
CrO2Cl(g)
CrO2Cl2(l)
CrO2Cl2(g)
CrO3Cl(-a)
CrOH(g)
Cr(OH)2
Cr(OH)2(g)
Cr(OH)3
Cr(OH)3(g)
Cr(OH)3(ia)
Cr(OH)4(g)
CrOH(+2a)
Cr(OH)2(+a)
Cr(OH)4(-a)
CrOI2(g)
CrO2I2(g)
CrO(OH)(g)
CrO(OH)2(g)
CrO(OH)3(g)
CrO(OH)4(g)
CrO2(OH)(g)
CrO2(OH)2(g)
CrP
Cr3P
Cr12P7
CrPO4(ia)
CrS
CrS(g)
CrS1.17
CrS1.2
CrS1.333
CrS2(g)
Cr2S3
CrSCN(+2a)
CrSO4(ia)
Cr2(SO3)3(ia)
Cr2(SO4)3
Cr2(SO4)3(ia)
CrSO4(+a)
Cr2(SO4)3*8H2O
Cr2(SO4)3*14H2O
Cr2(SO4)3*18H2O
CrSb
CrSb2
CrSi
CrSi2
Cr3Si
Cr5Si3
Cr2T a
Cr2T e3
CrVO4
Cr2(WO4)3(a)
Cs
Cs(g)
Cs2(g)
Cs(+g)
Cs(+a)
Cs(-g)
CsAg(CN)2(ia)
CsAgCl2(ia)
Cs2AgI3(ia)
CsAlF4(g)
CsAlH4
CsAlO2(ia)
CsAl(OH)4(ia)
CsAl(SO4)2
CsAl(SO4)2(ia)
CsAl(SO4)2*12H2O
CsAsO2
CsAsO2(ia)
CsAsO3
CsAs3O8
Cs2As4O11
Cs3AsO4
Cs3AsO4(ia)
Cs4As2O7
CsAu
CsAuBr2(ia)
CsAuBr4(ia)
CsAu(CN)2(ia)
CsAuCl4(ia)
CsBF4(ia)
CsBF3OH(ia)
CsBH4(ia)
CsBO2
CsBO2(g)
CsBO2(ia)
CsBO3
CsB(OH)4(ia)
Cs2BeO2(ia)
CsBiO2
CsBr
CsBr(g)
CsBr(a)
CsBr3(ia)
CsBr5(ia)
Cs2Br2(g)
CsBr2Cl(ia)
CsBrI2(ia)
CsBrO(ia)
CsBrO3
CsBrO3(ia)
CsBrO4(ia)
CsCH3COO(a)
Cs(CH3COO)2(-a)
CsCN
CsCN(ia)
CsCNO(ia)
CsCNS(ia)
Cs2CO3
Cs2CO3(g)
Cs2CO3(ia)
Cs2C2O4(ia)
Cs2CO3*3.5H2O
Cs2Cd(CN)4(ia)
CsCdCl3
CsCdCl3(ia)
Cs2CdCl4
Cs2CdI4
Cs2CdI4(ia)
CsCl
CsCl(g)
CsCl(a)
Cs2Cl2(g)
CsCl*MgCl2
CsCl*4MgCl2
*2CsCl*MgCl2
*3CsCl*MgCl2
CsClO(ia)
CsClO2(ia)
CsClO3
CsClO3(ia)
CsClO4
CsClO4(ia)
Cs2Co(C2O4)2(ia)
Cs2CoCl4
Cs2CrO4
Cs2CrO4(g)
Cs2CrO4(ia)
Cs2Cr2O7
Cs2Cr2O7(ia)
Cs3CrO4
Cs4CrO4
Cs5CrO4
Cs3Cu(CNS)4(ia)
Cs2Cu(C2O4)2(ia)
CsCuCl3
CsF
CsF(g)
CsF(ia)
Cs2F2(g)
CsF*H2O
*2CsF*3H2O
Cs3Fe(CN)6(ia)
Cs4Fe(CN)6(ia)
CsGaBr4(ia)
CsGd(CrO4)2
CsH
CsH(g)
CsH2AsO3(ia)
CsH2AsO4(ia)
Cs2HAsO4(ia)
CsHCO3
CsHCO3(ia)
CsHC2O4(ia)
CsHCrO4(ia)
CsHF2
CsHF2(ia)
Cs2H2Fe(CN)6(ia)
Cs3HFe(CN)6(ia)
CsHO2(ia)
CsH2PO4
CsH3P2O7(ia)
Cs2HPO4
Cs2HPO4(ia)
Cs2H2P2O7
Cs2H2P2O7(ia)
Cs3HP2O7
Cs3HP2O7(ia)
Cs3H2P3O10
CsHS(ia)
CsHSO3(ia)
CsHSO4(ia)
CsHSe(ia)
CsHSeO3(ia)
CsHSeO4(ia)
CsH2VO4(ia)
Cs2HVO4(ia)
Cs5HV10O28(ia)
CsHgBr3(ia)
Cs2HgBr4(ia)
CsHg(CN)3(ia)
Cs2Hg(CN)4(ia)
Cs2Hg(CNS)4(ia)
CsHgCl3(ia)
Cs2HgCl4(ia)
CsHgI3(ia)
Cs2HgI4(ia)
CsHoI4(g)
CsI
CsI(g)
CsI(a)
CsI3
CsI3(ia)
CsI4
Cs2I2(g)
Cs2I8
CsI2Cl(ia)
CsIO(ia)
CsIO3
CsIO3(ia)
CsIO4(ia)
CsK(g)
CsLa(CrO4)2
CsLi(g)
Cs2MgP 2O7(ia)
Cs2Mn(C2O4)2(ia)
CsMnCl3
CsMnO4(ia)
Cs2MnO4
Cs2MoO4
Cs2MoO4(g)
Cs2MoO4(ia)
Cs2Mo2O7
CsN3
CsN3(ia)
CsNO2
CsNO2(g)
CsNO2(ia)
CsNO3
CsNO3(g)
CsNO3(ia)
CsNa(g)
Cs2NaAmCl6
Cs2NaLaCl6
Cs2NaP uCl6
CsNbO3
CsNbO3(ia)
CsNd(CrO4)2
Cs2Ni(CN)4(ia)
Cs2NpBr6
Cs2NpCl6
CsO(g)
CsO2
CsO3
Cs2O
Cs2O(g)
Cs2O2
Cs2O2(g)
Cs2O3
Cs2O4
Cs2O(+g)
Cs2O*B2O3
Cs2O*CrO3
CsOH
CsOH(g)
CsOH(a)
Cs2(OH)2(g)
Cs2O2H2(g)
CsOH(+g)
Cs2O*MoO3
Cs2O*NpO3
Cs2O*SiO2
Cs2O*2SiO2
Cs2O*4SiO2
Cs2O*4T eO2
Cs3P7
CsPO3
Cs3PO4
Cs3PO4(ia)
Cs4P2O7
Cs4P2O7(ia)
Cs5P3O10
Cs2PdBr4(ia)
Cs2PdCl4(ia)
CsPr(CrO4)2
Cs2PtBr4(ia)
Cs2PtBr6(ia)
Cs2PtCl4(ia)
Cs2PtCl6(ia)
Cs2PtI6(ia)
CsPtNH3Cl3(ia)
Cs2PuBr6
CsPu2Cl7
Cs2PuCl6
Cs3PuCl6
CsRb(g)
Cs2ReCl6(ia)
CsReO4(ia)
Cs2RuO4
Cs2RuO4(g)
Cs2S
Cs2S(ia)
Cs2S2(ia)
Cs2S3(ia)
Cs2S4(ia)
Cs2S5(ia)
Cs2SO3
Cs2SO3(ia)
Cs2SO4
Cs2SO4(g)
Cs2SO4(I)
Cs2SO4(II)
Cs2SO4(ia)
Cs2S2O3(ia)
Cs2S2O4(ia)
Cs2S2O8(ia)
Cs2S4O6(ia)
CsSb
CsSb2
Cs2Sb
Cs3Sb
Cs3Sb7
Cs5Sb4
Cs2SbBr6
Cs2Sb2S4(ia)
Cs2Se(ia)
Cs2SeO3
Cs2SeO3(ia)
Cs2SeO4
Cs2SeO4(ia)
Cs2SiF6
Cs2SiF6(ia)
CsSm(CrO4)2
Cs2T e
Cs2T eO3
Cs2T eO3(ia)
Cs2T eO4
Cs2T e2O5
Cs2T e4O12
CsUF6
Cs2UO4
Cs2U2O7
Cs2U4O12
CsVO3(ia)
Cs2WO4(ia)
Cs2Zn(CN)4(ia)
Cs2Zn(C2O4)2(ia)
Cs2ZrO3
Cu
Cu(l)
Cu(g)
Cu(FCC)
Cu2(g)
Cu(+2a)
Cu(+2g)
Cu(+2a)
Cu(+g)
Cu(+a)
Cu(-g)
CuAl2Cl8(g)
Cu3As
Cu(AsO2)2
Cu3AsO4
Cu3(AsO4)2
Cu3(AsO4)2(ia)
Cu(BiO2)2
CuBr
CuBr(g)
CuBr(ia)
CuBr2
CuBr2(g)
CuBr2(ia)
Cu2Br2(g)
Cu2Br4(g)
(CuBr)3(g)
Cu4Br4(g)
CuBr(+a)
CuBr2*3Cu(OH)2
CuBr2*4H2O
CuCH3COO(a)
Cu(CH3COO)2(a)
CuCH3COO(+a)
Cu(CH3COO)2(-a)
Cu(CH3COO)3(-a)
Cu(C2H4NO2)2(a)
Cu(C3H6NO2)2(a)
CuC2H4NO2(+a)
CuC3H6NO2(+a)
Cu(CHO2)2(a)
Cu(C2H3O3)2(a)
Cu(C3H5O2)2(a)
Cu(C3H5O3)2(a)
Cu(C4H7O2)2(a)
Cu(C5H9O2)2(a)
CuCHO2(+a)
Cu(CHO2)(+a)
CuC2H3O3(+a)
Cu(C3H5O2)(+a)
CuC3H5O3(+a)
Cu(C4H7O2)(+a)
CuC5H9O2(+a)
CuCN
Cu(CN)2(ia)
Cu(CN)2(-a)
Cu(CN)3(-2a)
Cu(CN)4(-3a)
CuCNS(ia)
Cu(CNS)2(ia)
Cu(CNS)4(-3a)
CuCO3
CuCO3(ia)
CuC2O4(a)
CuC2O4(ia)
Cu(C2O4)2(-2a)
Cu2Cd
Cu4Cd3
CuCl
CuCl(g)
CuCl(a)
CuCl2
CuCl2(g)
CuCl2(a)
Cu2Cl4(g)
Cu3Cl3(g)
Cu4Cl4(g)
Cu5Cl5(g)
CuCl(+a)
CuCl2(-a)
CuCl3(-a)
CuCl3(-2a)
CuCl4(-2a)
*2CuCl*C2H2
*3CuCl*C2H2
CuCl2*3Cu(OH)2
CuCl2*2H2O
CuClO4(ia)
Cu(ClO3)2(ia)
Cu(ClO4)2(ia)
Cu2Cl(OH)3
CuCrO2
CuCrO4(ia)
CuCr2O7(ia)
CuD(g)
CuF
CuF(g)
CuF(ia)
CuF2
CuF2(g)
CuF2(ia)
Cu2F2(g)
Cu2F4(g)
Cu3F3(g)
Cu4F4(g)
CuF(+a)
CuF2*2H2O
CuFeO2
CuFeS2
CuFeS2(C)
Cu5FeS4
CuGaCl5(g)
CuGa2Cl8(g)
CuH(g)
Cu(H3)(T g)
CuHP O4
Cu(H2P O4)2
CuHP O4*H2O
CuI
CuI(g)
CuI(ia)
CuI2
CuI2(g)
CuI2(ia)
Cu2I2(g)
Cu2I4(g)
(CuI)3(g)
Cu4I4(g)
Cu(IO3)2
Cu(IO3)2(ia)
Cu(IO3)2*H2O
CuMg2
Cu2Mg
CuMn2O4
Cu(MnO4)2(ia)
CuMoO4
CuMoO4(ia)
CuN3
Cu(NH3)(+2a)
Cu(NH3)2(+2a)
Cu(NH3)3(+2a)
Cu(NH3)4(+2a)
Cu(NH3)5(+2a)
Cu(NH2CH2COO)2(a)
Cu(NH2CH2COO)(+a)
CuNO3(ia)
Cu(NO2)2(ia)
Cu(NO3)2
Cu(NO3)2(ia)
Cu(NO3)2*3Cu(OH)2
Cu(NO3)2*6H2O
CuO
CuO(g)
CuO(a)
CuO(T )
Cu2O
Cu2O(l)
CuO2(-2a)
CuO*Al2O3
Cu2O*Al2O3
CuO*Cr2O3
CuO*CuSO4
CuO*Fe2O3
Cu2O*Fe2O3
CuO*Ga2O3
Cu2O*Ga2O3
CuOH(g)
CuOH(ia)
Cu(OH)2
Cu(OH)2(ia)
CuOH(+a)
Cu(OH)3(-a)
Cu(OH)4(-2a)
Cu2OH(+3a)
Cu2(OH)2(+2a)
Cu3(OH)4(+2a)
Cu2(OH)2CO3
Cu3(OH)2(CO3)2
Cu(OH)O(-a)
*3CuO*2MoO3
*3Cu2O*5MoO3
CuP 2
Cu3P
Cu2P 2O7
Cu2P 2O7(ia)
Cu3(P O4)2
Cu3(P O4)2(ia)
Cu(P 2O7)2(-6a)
Cu3(P O4)2*3H2O
Cu6P S5Br
Cu6P S5Cl
Cu6P S5I
CuS
CuS(g)
Cu2S
Cu2S(l)
Cu2S(g)
Cu(SCN)(+a)
CuSO3(ia)
CuSO4
CuSO4(ia)
Cu2SO3(ia)
Cu2SO4
Cu2SO4(ia)
CuSO4*3Cu(OH)2
CuSO4*H2O
CuSO4*3H2O
CuSO4*5H2O
Cu2Sb
CuSe
CuSe(g)
CuSe2
Cu2Se
Cu2Se(g)
Cu2Se(A)
Cu3Se2
CuSeO3
CuSeO3(ia)
CuSeO4
Cu2SeO4
CuSeO3*2H2O
Cu6Si6O18*6H2O
CuT e
CuT e(g)
Cu1.31T e
Cu1.41T e
Cu2T e
Cu(UO2)2(P O4)2
Cu(VO3)2
CuWO4
CuWO4(a)
D(g)
D2(g)
D(+g)
D(-g)
D2(+g)
D2(-g)
DBr(g)
DCNS(g)
DCl(g)
DF(g)
D(H3)(T g)
DHO2(g)
D(H3)O(T g)
D(H3)S(T g)
DI(g)
DN3(g)
D4N2(T DHg)
DNO(g)
DNO3(DNg)
DO(g)
DO2(g)
D2O(l)
D2O(g)
D2O(a)
D2O2(g)
DO(-g)
DO2(-g)
DOCl(g)
DS(g)
D2S(g)
D2SO4(g)
D2Se(g)
Dy
Dy(g)
Dy(+4g)
Dy(+4a)
Dy(+3g)
Dy(+3a)
Dy(+2a)
Dy(+g)
DyAl2Cl9(g)
DyAl3Cl12(g)
Dy(AsO2)3
Dy(BiO2)3
DyBr3
DyBr3(g)
DyBr3(ia)
DyBr(+2a)
Dy(BrO3)3(ia)
DyC2
DyC2(g)
Dy(CH3CO2)3(a)
DyCH3CO2(+2a)
Dy(CH3CO2)2(+a)
Dy(CH3COO)3(a)
DyCH3COO(+2a)
Dy(CH3COO)2(+a)
Dy(CHOO)3(ia)
Dy(CN)3(ia)
Dy2(CO3)3(ia)
Dy2(C2O4)3(ia)
DyCO3(+a)
DyCl3
DyCl3(g)
DyCl3(a)
DyCl3(B)
DyCl3(Y)
DyCl(+2a)
DyCl2(+a)
DyCl4(-a)
DyCl3*6H2O
Dy(ClO)3(ia)
Dy(ClO3)3(ia)
Dy(ClO4)3(ia)
Dy2(CrO4)3(ia)
Dy2(Cr2O7)3(ia)
DyF3
DyF3(g)
DyF3(a)
DyF(+2a)
DyF2(+a)
DyF4(-a)
DyFe(CN)6(a)
DyFeO3
DyH2
DyHCO3(+2a)
DyH2P O4(+2a)
DyI3
DyI3(g)
DyI3(B)
DyI(+2a)
Dy(IO3)3
Dy(IO3)3(ia)
Dy(MnO4)3(ia)
Dy2(MoO4)3
Dy(NO2)3(ia)
Dy(NO3)3(ia)
DyNO3(+2a)
DyO
DyO(g)
DyO3(a)
Dy2O3
DyO(+a)
DyO2(-a)
DyOCl
DyO2H
DyO2H(a)
Dy(OH)3
Dy(OH)3(ia)
DyOH(+2a)
*7Dy2O3*4WO4
DyP O4
DyP O4(ia)
DyP O4*2H2O
DyS
DyS(g)
Dy2S3
Dy2(SO3)3(ia)
Dy2(SO4)3(ia)
DySO4(+a)
Dy(SO4)2(-a)
Dy2(SO4)3*8H2O
DySe
DySe(g)
Dy2Se3
DyT e
DyT e(g)
Dy2T e3
Dy2WO6
Dy2(WO4)3
Dy6WO12
Dy10W2O21
Dy14W4O33
e-
e-(g)
e-(Al)
e-(Ag)
e-(As)
e-(Au)
e-(B)
e-(Ba)
e-(Be)
e-(Bi)
e-(C)
e-(Ca)
e-(Cd)
e-(CdSe)
e-(Ce)
e-(Co)
e-(Cr)
e-(Cs)
e-(Cu)
e-(Eu)
e-(Fe)
e-(Ga)
e-(Gd)
e-(Ge)
e-(Hg)
e-(Hf)
e-(In)
e-(Ir)
e-(K)
e-(La)
e-(Li)
e-(Lu)
e-(Mg)
e-(Mn)
e-(Mo)
e-(Na)
e-(Nb)
e-(Nd)
e-(Ni)
e-(Os)
e-(Pb)
e-(Pd)
e-(Pt)
e-(Rb)
e-(Re)
e-(Rh)
e-(Ru)
e-(Sb)
e-(Sc)
e-(Se)
e-(Si)
e-(Sm)
e-(Sn)
e-(Sr)
e-(T l)
e-(T a)
e-(T b)
e-(T e)
e-(T h)
e-(T i)
e-(U)
e-(V)
e-(W)
e-(Y)
e-(Zn)
e-(Zr)
Er
Er(g)
Er(+4a)
Er(+3g)
Er(+3a)
Er(+2g)
Er(+2a)
Er(+g)
ErAl3Cl12(g)
ErAsO4
Er(AsO2)3
Er(BiO2)3
ErBr3
ErBr3(g)
ErBr3(ia)
Er(BrO3)3(ia)
ErC2(g)
Er(CH3CO2)3(a)
ErCH3CO2(+2a)
Er(CH3CO2)2(+a)
Er(CH3COO)3(a)
ErCH3COO(+2a)
Er(CH3COO)2(+a)
Er(CHOO)3(ia)
Er(CN)3(ia)
Er2(CO3)3(ia)
Er2(C2O4)3(ia)
ErCO3(+a)
ErCl3
ErCl3(g)
ErCl3(a)
ErCl(+2a)
ErCl2(+a)
ErCl4(-a)
ErCl3*6H2O
Er(ClO)3(ia)
Er(ClO3)3(ia)
Er(ClO4)3(ia)
Er2(CrO4)3(ia)
Er2(Cr2O7)3(ia)
ErF3
ErF3(g)
ErF3(a)
ErF(+2a)
ErF2(+a)
ErF4(-a)
ErFe(CN)6(a)
ErFeO3
ErHCO3(+2a)
ErH2PO4(+2a)
ErI3
ErI3(g)
ErI3(ia)
Er(IO3)3
Er(IO3)3(ia)
Er(MnO4)3(ia)
ErN
Er(NO2)3(ia)
Er(NO3)3(ia)
ErNO3(+2a)
ErO
ErO(g)
Er2O3
ErO(+a)
ErO2(-a)
ErOCl
ErO2H(a)
Er(OH)3
Er(OH)3(ia)
ErOH(+2a)
Er(OH)O(a)
ErPO4
ErPO4(ia)
ErPO4*2H2O
ErS
ErS(g)
Er2S3
Er2(SO3)3(ia)
Er2(SO4)3(ia)
ErSO4(+a)
Er(SO4)2(-a)
ErSe
ErSe(g)
Er2Se3
ErT e
ErT e(g)
Er2T e3
Er2(WO4)3
Er6WO12
Es
Es(g)
Es(+3ia)
Es(+g)
EsBr3(ia)
Es2(C2O4)3(ia)
EsCl3(ia)
Es(ClO4)3(ia)
EsF3(ia)
EsI3(ia)
Es(NO3)3(ia)
Es(OH)3(ia)
Es2(SO4)3(ia)
Eu
Eu(g)
Eu(+4a)
Eu(+3g)
Eu(+3a)
Eu(+2g)
Eu(+2a)
EuAl3Cl12(g)
Eu(AsO2)3
Eu(BiO2)3
EuBr2
EuBr2(g)
EuBr2(ia)
EuBr3
EuBr3(ia)
EuBr(+2a)
Eu(BrO3)3(ia)
EuC2
EuC2(g)
Eu(CH3COO)3(a)
EuCH3COO(+2a)
Eu(CH3COO)2(+a)
Eu(C2H4NO2)2(a)
Eu(C3H6NO2)2(a)
EuC2H4NO2(+a)
EuC3H6NO2(+a)
Eu(CHO2)2(a)
Eu(CHO2)3(ia)
Eu(C2H3O3)2(a)
Eu(C3H5O2)2(a)
Eu(C3H5O3)2(a)
Eu(C4H7O2)2(a)
EuCHO2(+2a)
Eu(CHO2)(+2a)
EuCHO2(+a)
Eu(CHO2)(+a)
Eu(CHO2)2(+a)
EuC2H3O3(+a)
Eu(C3H5O2)(+2a)
EuC3H5O2(+a)
EuC3H5O3(+a)
Eu(C4H7O2)(+2a)
Eu(C4H7O2)(+a)
EuC5H9O2(+2a)
EuC5H9O2(+a)
Eu(C3H5O2)2(+a)
Eu(C5H9O2)2(+a)
Eu(CN)3(ia)
EuC2O4(ia)
Eu2(CO3)3(ia)
Eu2(C2O4)3(ia)
EuCO3(+a)
Eu2(CO3)3*3H2O
EuCl2
EuCl2(g)
EuCl2(a)
EuCl3
EuCl3(g)
EuCl3(a)
EuCl(+2a)
EuCl(+a)
EuCl2(+a)
EuCl3(-a)
EuCl4(-a)
EuCl4(-2a)
EuCl3*6H2O
Eu(ClO4)2(ia)
Eu(ClO3)3(ia)
Eu(ClO4)3(ia)
Eu(CrO4)3(ia)
Eu2(Cr2O7)3(ia)
EuF2(g)
EuF2(a)
EuF3
EuF3(g)
EuF3(a)
EuF(+2a)
EuF(+a)
EuF2(+a)
EuF3(-a)
EuF4(-a)
EuF4(-2a)
EuFe(CN)6(a)
EuFeO3
EuHCO3(+2a)
EuH2P O4(+2a)
EuI2
EuI2(ia)
EuI3
EuI3(ia)
EuI(+2a)
Eu(IO3)3
Eu(IO3)3(ia)
Eu(IO3)(+2a)
Eu(IO3)3*2H2O
Eu(MnO4)3(ia)
Eu2(MoO4)3(ia)
EuN
Eu(NO3)2(ia)
Eu(NO2)3(ia)
Eu(NO3)3(ia)
EuNO3(+2a)
EuO
EuO(g)
Eu2O(g)
Eu2O2(g)
Eu2O3
Eu2O3(M)
Eu3O4
EuO(+a)
EuO2(-a)
EuOCl
Eu2O3*CuO
EuO2H(a)
Eu(OH)2(ia)
Eu(OH)3
Eu(OH)3(ia)
EuOH(+2a)
EuP
EuP O4
EuP O4(ia)
EuP O4*2H2O
EuS
EuS(g)
EuS2(g)
Eu2S(g)
Eu2S2(g)
Eu2S3(ia)
Eu3S4
EuSO4
Eu2(SO3)3(ia)
Eu2(SO4)3(ia)
EuSO4(+a)
Eu(SO4)(+a)
Eu(SO4)2(-a)
Eu(SO4)2(-2a)
Eu2(SO4)3*8H2O
EuSe
EuSe(g)
EuT e
EuT e(g)
Eu2(WO4)3
Eu2(WO4)3(a)
Eu6WO12
F(g)
F2(g)
F(+g)
F(-g)
F(-a)
F2BO(g)
FBOH(g)
FB(OH)2(g)
F2B(OH)(g)
F6K2Si
FNO(g)
FNO2(g)
FNO3(g)
F3NO(g)
FNS(g)
FOO(g)
Fe
Fe(l)
Fe(g)
Fe(A)
Fe2(g)
Fe(+3g)
Fe(+3a)
Fe(+2g)
Fe(+2a)
Fe(+g)
Fe(-g)
FeAlCl6(g)
FeAl2Cl8(g)
FeAl2O4
Fe2Al4Si5O18
Fe3Al2Si3O12
Fe5Al2Si3O18H8(14A)
FeAl2SiO5(OH)2
Fe4Al18Si8O46(OH)2
FeAs
FeAs2
Fe2As
FeAsO4
Fe3(AsO4)2
FeAsS
FeB
Fe2B
FeBr(g)
FeBr2
FeBr2(g)
FeBr2(ia)
FeBr3
FeBr3(g)
FeBr3(ia)
Fe2Br4(g)
Fe2Br6(g)
FeBr(+2a)
FeBrCl2(ia)
Fe3C
Fe3C(B)
Fe(C5H5)2
Fe(C5H5)2(g)
Fe(CH3COO)2(a)
Fe(CH3COO)3(ia)
Fe(CH3COO)(+a)
Fe(CH3COOH)2
Fe(C2H4NO2)2(a)
Fe(C3H6NO2)2(a)
FeC2H4NO2(+a)
FeC3H6NO2(+a)
Fe(CHO2)(a)
Fe(CHO2)2(a)
Fe(CHO2)3(ia)
Fe(C2H3O3)2(a)
Fe(C2H3O2)3(a)
Fe(C3H5O2)2(a)
Fe(C3H5O3)2(a)
Fe(C4H7O2)2(a)
Fe(C5H9O2)2(a)
FeCHO2(+a)
Fe(CHO2)(+a)
FeC2H3O3(+a)
Fe(C3H5O2)(+a)
FeC3H5O3(+a)
Fe(C4H7O2)(+a)
FeC5H9O2(+a)
Fe(CN)2(ia)
Fe(CN)3(ia)
Fe(CN)6(-3a)
Fe(CN)6(-4a)
Fe(CNS)(+2a)
FeCO3
FeCO3(ia)
FeC2O4(ia)
Fe(CO)5
Fe(CO)5(l)
Fe(CO)5(g)
Fe2(CO3)3(ia)
Fe2(C2O4)3(ia)
Fe2(CO)9
Fe3(CO)12
FeC2O4(+a)
FeCl(g)
FeCl2
FeCl2(g)
FeCl2(a)
FeCl2(ia)
FeCl3
FeCl3(g)
FeCl3(ia)
Fe2Cl4(g)
Fe2Cl6(g)
FeCl(+2a)
FeCl(+a)
FeCl(+g)
FeCl(-g)
FeCl2(+a)
FeCl2(+g)
FeCl2(-g)
FeCl3(-g)
FeCl2*2H2O
FeCl2*4H2O
FeCl3*6H2O
Fe(ClO3)2(ia)
Fe(ClO4)2(ia)
Fe(ClO3)3(ia)
Fe(ClO4)3(ia)
FeCrO4(ia)
FeCr2O7(ia)
Fe2(CrO4)3(ia)
Fe2(Cr2O7)3(ia)
FeCr(VO4)2
FeF(g)
FeF2
FeF2(g)
FeF2(ia)
FeF3
FeF3(g)
FeF3(ia)
Fe2F4(g)
Fe2F6(g)
FeF(+2a)
FeF(+a)
FeF2(+a)
FeGaCl5(g)
FeGa2Cl8(g)
FeH(g)
FeHC2O4(+2a)
FeI(g)
FeI2
FeI2(g)
FeI2(ia)
FeI3(g)
FeI3(ia)
Fe2I4(g)
Fe2I6(g)
Fe3KH8(PO4)6*6H2O
Fe2MgO4
Fe(MnO4)3(ia)
Fe2MnO4
Fe3Mo2
FeMoO4
FeMoO4(ia)
Fe2N
Fe4N
FeN3(+2a)
Fe(NO2)2(ia)
Fe(NO3)2(ia)
Fe(NO2)3(ia)
Fe(NO3)3(ia)
FeNO(+2a)
FeNaO2
Fe2NiO4
Fe0.945O
Fe0.947O
FeO
FeO(g)
FeO(a)
FeO1.056
FeO1.5(W)
FeO2(g)
Fe2O3
Fe2O3(G)
Fe2O3(H)
Fe3O4
Fe3O4(l)
Fe3O4(H)
FeO(+a)
FeO2(-a)
FeOCl
FeOCl(g)
FeOH(g)
Fe(OH)2
Fe(OH)2(g)
Fe(OH)2(ia)
Fe(OH)3
Fe(OH)3(ia)
FeOH(+2a)
FeOH(+a)
Fe(OH)2(+a)
Fe2(OH)2(+4a)
Fe(OH)O(a)
Fe2O3*H2O
FeO*OH
FeO*OH(g)
FeO*OH(L)
Fe2O3*2SeO2
*4Fe2O3*SeO2
FeO*SiO2
*2FeO*SiO2
FeO*T iO2
*2FeO*T iO2
FeO*WO3
FeP
FeP2
Fe2P
Fe3P
FePO4
FePO4(ia)
Fe2P2O7(ia)
Fe3(PO4)2(ia)
FePO4*2H2O
FePO4*4H2O
Fe(ReO4)2
Fe0.877S
FeS
FeS(l)
FeS(g)
FeS(ai)
FeS2
FeS2(M)
Fe2S
Fe2S3
Fe7S8
Fe9S8
FeSCN(+2a)
FeSO3(ia)
FeSO4
FeSO4(ia)
Fe2(SO3)3(ia)
Fe2(SO4)3
Fe2(SO4)3(ia)
FeSO4(+a)
FeSO4*H2O
FeSO4*4H2O
FeSO4*7H2O
FeSb2
FeSe0.961
FeSe
FeSe(g)
FeSe(ia)
FeSe1.14
FeSe1.143
FeSe1.333
FeSe2
Fe2(SeO3)3
Fe2(SeO3)3(ia)
FeSi
FeSi(A)
FeSi2
FeSi2(A)
FeSi2.33
FeSi2.43
Fe3Si
Fe5Si3
FeSiO3
FeSiO3(I)
FeSiO3(M)
FeSiO3(P)
Fe2SiO4(B)
Fe2SiO4(F)
Fe2SiO4(G)
Fe7Si8O22(OH)2
Fe18Si12O40(OH)10
Fe2T a
FeT e0.9
FeT e(g)
FeT e1.11
FeT e2
Fe1.111T e
FeT i
Fe2T i
FeT iO3
FeT i2O5
Fe2T iO4
Fe2T iO5
Fe2U
Fe(UO2)2(PO4)2
FeVO4
FeV2O4
Fe(VO3)2
Fe(VO3)3(ia)
Fe3W2
FeWO4
FeWO4(a)
Fe2(WO4)3(a)
Fe2ZnO4
Fm
Fm(g)
Fr
Fr(g)
Fr2(g)
Fr(+a)
Fr(+g)
FrBr
FrBr(g)
FrBr(ia)
FrBrO3
FrBrO3(ia)
Fr2CO3
Fr2CO3(ia)
FrCl
FrCl(g)
FrCl(ia)
FrClO3
FrClO3(ia)
FrClO4
FrClO4(ia)
FrF
FrF(g)
FrF(ia)
FrI
FrI(g)
FrI(ia)
FrNO3
FrNO3(ia)
Fr2O
FrOH
FrOH(ia)
Fr2SO4
Fr2SO4(ia)
Ga
Ga(l)
Ga(g)
Ga2(g)
Ga(+3g)
Ga(+3a)
Ga(+g)
Ga(-g)
Ga(AlO2)3(ia)
GaAs
GaAs(g)
GaAsO4
GaAsO4(ia)
GaBr(g)
GaBr2(g)
GaBr3
GaBr3(g)
GaBr3(ia)
Ga2Br2(g)
Ga2Br4(g)
(GaBr3)2(g)
GaBr4(-a)
Ga(BrO3)3(ia)
Ga2C2(g)
Ga(CH3)3
Ga(CH3COO)3(ia)
Ga(CHOO)3(ia)
Ga(CN)3(ia)
Ga2(CO3)3(ia)
Ga2(C2O4)3(ia)
GaCl(g)
GaCl2(g)
GaCl3
GaCl3(g)
GaCl3(a)
Ga2Cl2(g)
Ga2Cl4(g)
(GaCl3)2(g)
Ga(ClO)3(ia)
Ga(ClO2)3(ia)
Ga(ClO3)3(ia)
Ga(ClO4)3(ia)
GaF(g)
GaF2(g)
GaF3
GaF3(g)
Ga2F2(g)
Ga2F4(g)
Ga2F6(g)
GaF(+2a)
GaF2(+a)
GaH(g)
Ga(HO2)3(ia)
GaI(g)
GaI2(g)
GaI3
GaI3(g)
GaI3(ia)
Ga(I3)3(ia)
Ga2I2(g)
Ga2I4(g)
(GaI3)2(g)
Ga(IO3)3(ia)
GaN
Ga(NO2)3(ia)
Ga(NO3)3(ia)
GaO(g)
Ga2O
Ga2O(g)
Ga2O2(g)
Ga2O3
Ga2O3(g)
GaO(+a)
GaO2(-a)
Ga(OCN)3(ia)
GaOH(g)
Ga(OH)3
Ga(OH)3(ia)
Ga(OH)(+2a)
GaOH(+2a)
Ga(OH)(+2a)
Ga(OH)2(+a)
Ga(OH)4(-a)
Ga(OH)O(a)
GaOOH
GaP
GaP (g)
GaP O4(ia)
Ga4(P 2O7)3(ia)
GaS
Ga2S
Ga2S(g)
Ga2S3
Ga2S3(ia)
Ga4S5
Ga(SCN)3(ia)
Ga2(SO3)3(ia)
Ga2(SO4)3(ia)
Ga2(S2O3)3(ia)
GaSb
GaSb(g)
GaSb2(g)
GaSe
Ga2Se
Ga2Se(g)
Ga2Se3
Ga2Se3(ia)
Ga(SeCN)3(ia)
Ga2(SeO3)3(ia)
Ga2(SeO4)3
Ga2(SeO4)3(ia)
Ga2(SiF6)3(ia)
GaT e
GaT e(g)
GaT e2(g)
Ga2T e(g)
Ga2T e3
Ga2T e3(g)
Ga2(T eO3)3(ia)
Gd
Gd(g)
Gd(+4a)
Gd(+3g)
Gd(+3a)
Gd(+2g)
Gd(+2a)
Gd(+g)
GdAl2
GdAl3Cl12(g)
GdAsO4
Gd(AsO2)3
GdB6
Gd(BiO2)3
GdBr3
GdBr3(g)
GdBr3(ia)
GdBr(+2a)
Gd(BrO3)3(ia)
GdC2
GdC2(g)
Gd(CH3CO2)3(a)
GdCH3CO2(+2a)
Gd(CH3CO2)2(+a)
Gd(CH3COO)3(a)
Gd(CH3COO)(+2a)
Gd(CH3COO)2(+a)
Gd(CHO2)3(ia)
GdCHO2(+2a)
Gd(CHO2)(+2a)
Gd(CHO2)2(+a)
Gd(C3H5O2)(+2a)
Gd(C4H7O2)(+2a)
GdC5H9O2(+2a)
Gd(C3H5O2)2(+a)
Gd(C4H7O2)2(+a)
Gd(C5H9O2)2(+a)
Gd(CN)3(ia)
Gd2(CO3)3(ia)
Gd2(C2O4)3(ia)
GdCO3(+a)
GdCl3
GdCl3(g)
GdCl3(a)
GdCl(+2a)
GdCl2(+a)
GdCl4(-a)
GdCl3*6H2O
Gd(ClO3)3(ia)
Gd(ClO4)3(ia)
Gd2(CrO4)3(ia)
Gd2(Cr2O7)3(ia)
GdF3
GdF3(g)
GdF3(a)
GdF(+2a)
GdF2(+a)
GdF4(-a)
GdFe(CN)6(a)
GdFeO3
GdHCO3(+2a)
GdH2P O4(+2a)
GdI3
GdI3(g)
GdI3(ia)
GdI(+2a)
Gd(IO3)3
Gd(IO3)3(ia)
Gd(MnO4)3(ia)
Gd2(MoO4)3
Gd2(MoO4)3(R)
Gd2(MoO4)3(ia)
GdN
Gd(NO2)3(ia)
Gd(NO3)3(ia)
GdNO3(+2a)
Gd(NO3)3*6H2O
GdO(g)
Gd2O3
Gd2O3(M)
GdO(+a)
GdO2(-a)
GdOCl
Gd2O3*CuO
GdO2H(a)
Gd(OH)3
Gd(OH)3(ia)
GdOH(+2a)
Gd2O3*WO3
Gd2O3*2WO3
*3Gd2O3*WO3
GdP
GdP O4
GdP O4(ia)
GdP O4*2H2O
Gd(ReO4)3
GdS
GdS(g)
Gd2S3
Gd2(SO3)3(ia)
Gd2(SO4)3(ia)
GdSO4(+a)
Gd(SO4)2(-a)
Gd2(SO4)3*8H2O
GdSe
GdSe(g)
Gd2Se3
GdT e
GdT e(g)
Gd2T e3
Gd2(WO4)3
Gd2(WO4)3(a)
Ge
Ge(g)
Ge2(g)
Ge3(g)
Ge4(g)
Ge(+g)
GeAs
GeBr(g)
GeBr2(g)
GeBr3(g)
GeBr4
GeBr4(l)
GeBr4(g)
GeC(g)
GeC2(g)
Ge2C(g)
Ge(CH3)4(g)
Ge(C2H5)4
Ge(C4H9)4
GeCl(g)
GeCl2(g)
GeCl3(g)
GeCl4(l)
GeCl4(g)
Ge2Cl6(g)
GeD4(g)
Ge2D6(g)
Ge3D6(g)
GeD(H3)3(T g)
GeD2H2(g)
GeD2(H3)2(T g)
GeD3(H3)(T g)
GeF(g)
GeF2
GeF2(g)
GeF3(g)
GeF4(g)
GeH4(g)
Ge(H3)4(T g)
Ge2H6(g)
GeHCl3(g)
GeH2Cl2(g)
GeH3Cl(g)
GeHD3(g)
GeH3D(g)
GeHD(H3)2(T g)
GeHD2(H3)(T g)
GeH2D(H3)(T g)
GeH(H3)3(T g)
GeH2(H3)2(T g)
GeH3(H3)(T g)
GeI(g)
GeI2
GeI2(g)
GeI3(g)
GeI4
GeI4(g)
Ge2N(g)
Ge3N4
GeNi2
GeO
GeO(g)
GeO2
GeO2(g)
GeO2(G)
GeO2(H)
GeO2(Q)
Ge(OH)4(a)
GeO2*2MgO
GeO(OH)3(-a)
GeP
GeS
GeS(g)
GeS2
GeS2(g)
Ge2S2(g)
GeSe
GeSe(g)
GeSe2
GeSe2(g)
GeSi(g)
Ge2Si(g)
GeSiC(g)
GeT e
GeT e(g)
GeT e2(g)
GeU
Ge2U
Ge3U
Ge3U5
Ge5U3
H(g)
H2(g)
H2(a)
(H3)(T g)
(H3)2(T g)
H(+g)
H(+a)
H(-g)
H2(+g)
H2(-g)
H3(+g)
HAlO2(a)
HAsO2(a)
H3AsO3(a)
H3AsO4(a)
HAsO3(-a)
HAsO4(-2a)
H2AsO3(-a)
H2AsO4(-a)
HAuBr4(a)
HAuCl4(ia)
HBO(g)
HBO2
HBO2(g)
HBO2(a)
H3BO2
H3BO2(g)
H3BO2(Bg)
H3BO3
H3BO3(g)
H3BO3(a)
H3B3O6(g)
HBO(+g)
HBO(-g)
H2BO3(-a)
HBOH(g)
H2BOH(g)
HBS(g)
HBS(+g)
HBeO2(-a)
HBiO2(a)
HBr(g)
HBr(ia)
(H3)Br(T g)
HBrI2(ia)
HBrO(a)
HBrO3(ia)
HBrO4(ia)
HCCN(g)
HCN(l)
HCN(g)
HCN(a)
HCN(ia)
H2CNN(g)
HCNO(a)
HCO(g)
H2CO3(a)
HCO(+g)
HCO2(-a)
HCO3(-g)
HCO3(-a)
HC2O4(-a)
HCOF(g)
HCOOCs(ia)
HCOOH(l)
HCOOH(g)
HCOOH(a)
HCOOH(Cg)
HCOOH(T g)
HCOOK(ia)
HCOONa(ia)
HCOORb(ia)
HCOOT l(ia)
(HCOO)3T l(ia)
H2CS3(l)
HCdO2(-a)
HCl(g)
HCl(a)
HCl(ia)
(H3)Cl(T g)
HClCO(g)
HClO(a)
HClO2(a)
HClO2(Da)
HClO3(ia)
HClO4(g)
HClO4(ia)
HCo(CO)4(g)
HCoO2(-a)
HCrO2(a)
H2CrO4(a)
H2Cr2O7(ia)
HCrO4(-a)
HCuO2(-a)
HD(g)
HD(+g)
HD(-g)
HDO(l)
HDO(g)
HDO2(g)
HDS(g)
HDSe(g)
HF(l)
HF(g)
HF(a)
HF(ia)
H2F2(g)
(H3)F(T g)
H3F3(g)
H4F4(g)
H5F5(g)
H6F6(g)
H7F7(g)
HF2(-a)
HF2(-g)
HF2(-a)
HFe(CN)6(-3a)
H2Fe(CN)6(-2a)
HFeO2(a)
HFeO2(-a)
HGaO2(a)
HGeO3(a)
H2GeO3(a)
HGeO3(-a)
H(H3)(T g)
H(H3)O(T l)
H(H3)O(T g)
H(H3)O2(T g)
H(H3)S(T g)
HHfO2(+a)
HHfO3(-a)
HHgO2(-a)
HI(g)
HI(ia)
(H3)I(T g)
HIO
HIO(g)
HIO(a)
HIO3
HIO3(a)
H5IO6(a)
H2IO(+a)
H3IO6(-2a)
H4IO6(-a)
HInO2(a)
HMnO4(a)
HMnO2(-a)
H2MoO4
H2MoO4(g)
H2MoO4(a)
HMoO4(-a)
HN3(l)
HN3(g)
HN3(a)
HNCO(g)
H6(NH4)3Al5(PO4)8*18H2O
HNO(g)
HNO2(g)
HNO2(a)
HNO2(Cg)
HNO2(T g)
HNO3
HNO3(g)
HNO3(a)
H2N2O2(a)
HNO2(-a)
HN2O2(-a)
HNO3*H2O(l)
HNO3*3H2O(l)
HNaO4S
HNbO3(a)
HNiO2(-a)
HO2(g)
H2O
H2O(l)
H2O(g)
H2O(0.01bar)
H2O(0.01barg)
H2O(0.05bar)
H2O(0.05barg)
H2O(0.1bar)
H2O(0.1barg)
H2O(0.5bar)
H2O(0.5barg)
H2O(1000bar)
H2O(100bar)
H2O(100barg)
H2O(10bar)
H2O(10barg)
H2O(1bar)
H2O(1barg)
H2O(200bar)
H2O(200barg)
H2O(20bar)
H2O(20barg)
H2O(300bar)
H2O(30bar)
H2O(30barg)
H2O(400bar)
H2O(40bar)
H2O(40barg)
H2O(500bar)
H2O(50bar)
H2O(50barg)
H2O(5bar)
H2O(5barg)
H2O(600bar)
H2O(60bar)
H2O(60barg)
H2O(700bar)
H2O(70bar)
H2O(70barg)
H2O(800bar)
H2O(80bar)
H2O(80barg)
H2O(900bar)
H2O(90bar)
H2O(90barg)
H2O2(l)
H2O2(g)
H2O2(a)
(H3)O(T g)
(H3)O2(T g)
(H3)2O(T g)
HO(+g)
HO(-g)
HO2(-g)
HO2(-a)
H2O(+g)
H3O(+g)
(HO)2BB(OH)2(g)
HOCN(g)
HOCN(ia)
HOCl(g)
HOF(g)
H2OI(+g)
H4O4Si
HP O(g)
HP O3(a)
H3P O2(a)
H3P O3(a)
H3P O4
H3P O4(l)
H3P O4(a)
H4P 2O7(a)
HP O3(-2a)
HP O4(-2a)
HP 2O7(-3a)
H2P O2(-a)
H2P O3(-a)
H2P O4(-a)
H2P 2O7(-2a)
H3P 2O7(-a)
H3P 2O7(-2a)
H3P O4*0.5H2O
HP bO2(-a)
H2P tCl6(ia)
HReO4
HReO4(ia)
HS(g)
H2S(g)
H2S(a)
H2S2(l)
H2S2(g)
(H3)2S(T g)
HS(-a)
HS2(-a)
HS3(-a)
HS4(-a)
HS5(-a)
HS6(-a)
HSCN(g)
HSCN(ia)
H2SO3(a)
H2SO4
H2SO4(l)
H2SO4(g)
H2SO4(Dg)
H2SO4(ia)
H2S2O3(a)
H2S2O4(a)
H2S2O8(ia)
HSO3(-a)
HSO4(-a)
HSO5(-a)
HS2O3(-a)
HS2O4(-a)
HS2O5(-a)
HS2O6(-a)
HS2O7(-a)
HS2O8(-a)
HS3O3(-a)
HS4O3(-a)
HS5O3(-a)
HS6O3(-a)
HS7O3(-a)
HSO3Cl(g)
HSO3F(g)
H2SO4*H2O
H2SO4*H2O(l)
H2SO4*2H2O
H2SO4*2H2O(l)
H2SO4*3H2O
H2SO4*3H2O(l)
H2SO4*4H2O
H2SO4*4H2O(l)
H2SO4*6.5H2O
H2SO4*6.5H2O(l)
HSbO2(a)
HScO2(a)
H2Se(g)
H2Se(a)
HSe(-a)
HSeCN(-a)
HSeO3(a)
H2SeO3
H2SeO3(a)
H2SeO4(a)
HSeO3(-a)
HSeO4(-a)
H2SiF6(ia)
H2SiO3
H2SiO3(g)
H2SiO3(a)
H2Si2O5
H4SiO4(a)
HSiO3(-a)
H2Si(OH)6(a)
HSnO2(-a)
HT a2
HT cO4
HT cO4(a)
H2T cO4(a)
HT cO4(-a)
H2T e(g)
H2T eO3
H2T eO4*2H2O
HT lO2(a)
HUO2(a)
HUO2(+a)
HUO3(-a)
HUO4(-a)
H2(UO2)2(P O4)2
HVO3(ia)
H3VO4(a)
HVO4(-2a)
HV10O23(-5a)
HV10O28(-5a)
H2VO4(-a)
H4VO4(+a)
H2WO4
H2WO4(g)
H2WO4(ia)
HWO4(-a)
HW6O21(-5a)
HYO2(a)
HZnO2(-a)
HZrO2(+a)
HZrO3(-a)
He(g)
He(a)
He(+g)
Hf
Hf(g)
Hf(B)
Hf(+4a)
Hf(+g)
Hf(-g)
HfB2
HfBr(g)
HfBr2(g)
HfBr3(g)
HfBr4
HfBr4(g)
HfC
HfC(g)
HfC0.95O0.05
HfCl(g)
HfCl2
HfCl2(g)
HfCl3
HfCl3(g)
HfCl4
HfCl4(g)
Hf2Cl8(g)
HfCl2C10H10
HfCl4*P OCl3
HfCl4*P OCl3(g)
HfF2
HfF3
HfF4
HfF4(g)
HfI
HfI(g)
HfI2
HfI2(g)
HfI3
HfI3(g)
HfI4
HfI4(g)
HfN
HfO(g)
HfO2
HfO2(g)
HfO2(a)
HfO(+2a)
HfO(+g)
HfOCl2
HfOH(+3a)
Hf(OH)2(+2a)
HfS2
HfS3
HfSrO3
Hg
Hg(l)
Hg(g)
Hg(a)
Hg2(g)
Hg(+2g)
Hg(+2a)
Hg(+g)
Hg2(+2a)
Hg3(AsO4)2
HgBr
HgBr(g)
HgBr2
HgBr2(g)
HgBr2(a)
HgBr2(ia)
Hg2Br2
Hg2Br2(ia)
HgBr(+a)
HgBr3(-a)
HgBr4(-2a)
HgBr2*CH3OH
HgBrCl(g)
HgBrCl(a)
HgBrI(g)
HgBrI(a)
Hg(CH3)2(l)
Hg(CH3)2(g)
Hg(C2H5)2
Hg(C2H5)2(l)
Hg(CH3COO)2(a)
Hg2(CH3COO)2
HgCH3COO(+a)
Hg(CH3COO)3(-a)
Hg(CH3NH2)2(+2a)
Hg(CN)2
Hg(CN)2(a)
Hg(CN)2(ia)
HgCN(+a)
Hg(CN)3(-a)
Hg(CN)4(-2a)
Hg(CNS)2
Hg(CNS)2(a)
Hg(CNS)4(-2a)
HgCO3
HgCO3(ia)
HgC2O4(ia)
Hg2CO3
Hg2(COO)2
HgCl
HgCl(g)
HgCl2
HgCl2(g)
HgCl2(a)
HgCl2(ia)
Hg2Cl2
HgCl(+a)
HgCl3(-a)
HgCl4(-2a)
HgCl(CH3NH2)(+a)
HgCl2*CH3OH
HgCl2*2CH3OH
HgCl(NH2CH2COO)(a)
Hg(ClO3)2(ia)
Hg(ClO4)2(ia)
Hg2(ClO4)2(ia)
HgCrO4(ia)
HgCr2O7(ia)
Hg2CrO4
HgD(g)
HgF
HgF(g)
HgF2
HgF2(g)
HgF2(ia)
Hg2F2
Hg2F2(ia)
HgF(+a)
HgH(g)
Hg(H3)(T g)
Hg(HCOO)2(ia)
Hg2(HCOO)2
HgI
HgI(g)
HgI2
HgI2(g)
HgI2(a)
HgI2(ia)
Hg2I2
Hg2I2(ia)
HgI(+a)
HgI3(-a)
HgI4(-2a)
HgICl(g)
HgICl(a)
Hg(MnO4)2(ia)
HgMoO4
HgMoO4(ia)
Hg2MoO4
Hg2MoO4(ia)
Hg2(N3)2
Hg(NH3)2(+2a)
Hg(NH3)3(+2a)
Hg(NH3)4(+2a)
Hg(NH2CH2COO)2(a)
Hg(NO2)2(ia)
Hg(NO3)2(ia)
Hg2(NO3)2(ia)
HgO
HgO(g)
HgO(a)
HgO(R)
HgO(Y)
Hg2O
Hg(OH)2(a)
Hg(OH)2(ia)
Hg2(OH)2(a)
HgOH(+a)
Hg2OH(+3a)
Hg2(OH)2(+2a)
HgOHCl(a)
Hg3(PO4)2(ia)
HgPb2
Hg2(ReO4)2
HgS
HgS(g)
HgS(A)
HgS(M)
Hg2S
Hg(SCN)2
Hg(SCN)4(-2a)
HgS(H2S)2(a)
HgSO3(ia)
HgSO4
HgSO4(ia)
Hg2SO4
Hg2SO4(ia)
HgSO4*HgO
HgSO4*2HgO
HgSe
HgSe(g)
HgSeO3
HgSeO4
HgT e
HgT e(g)
HgT l(g)
Hg(VO3)2
Hg(VO3)2(ia)
HgWO4
HgWO4(a)
Hg2WO4
Ho
Ho(g)
Ho(+4a)
Ho(+3g)
Ho(+3a)
Ho(+2g)
Ho(+2a)
Ho(+g)
HoAl3Cl12(g)
Ho(AsO2)3
Ho(BiO2)3
HoBr3
HoBr3(g)
HoBr3(ia)
Ho(BrO3)3(ia)
HoC2(g)
Ho(CH3CO2)3(a)
HoCH3CO2(+2a)
Ho(CH3CO2)2(+a)
Ho(CH3COO)3(a)
HoCH3COO(+2a)
Ho(CH3COO)2(+a)
Ho(CHOO)3(ia)
Ho(CN)3(ia)
Ho2(CO3)3(ia)
Ho2(C2O4)3(ia)
HoCO3(+a)
HoCl3
HoCl3(g)
HoCl3(a)
HoCl3(Y)
HoCl(+2a)
HoCl2(+a)
HoCl4(-a)
HoCl3*6H2O
HoClO
Ho(ClO)3(ia)
Ho(ClO3)3(ia)
Ho(ClO4)3(ia)
Ho2(CrO4)3(ia)
Ho2(Cr2O7)3(ia)
HoF(g)
HoF3
HoF3(g)
HoF3(a)
HoF(+2a)
HoF2(+a)
HoF4(-a)
HoFe(CN)6(a)
HoFeO3
HoH2
HoHCO3(+2a)
HoH2P O4(+2a)
HoI3
HoI3(g)
HoI3(ia)
Ho(IO3)3
Ho(IO3)3(ia)
Ho(MnO4)3(ia)
Ho2(MoO4)3
HoN
Ho(NO2)3(ia)
Ho(NO3)3(ia)
HoNO3(+2a)
HoO(g)
Ho2O3
HoO(+a)
HoO2(-a)
HoO2H(a)
Ho(OH)3
Ho(OH)3(ia)
HoOH(+2a)
HoP O4
HoP O4(ia)
HoP O4*2H2O
HoS
HoS(g)
Ho2S3
Ho2(SO3)3(ia)
Ho2(SO4)3(ia)
HoSO4(+a)
Ho(SO4)2(-a)
HoSe
HoSe(g)
Ho2Se3
HoT e
HoT e(g)
Ho2T e3
Ho2(WO4)3
Ho6WO12
I
I(g)
I2
I2(g)
I2(a)
I2(B)
I3(g)
I(+g)
I(-g)
I(-a)
I3(-a)
IBr
IBr(g)
ICl
ICl(g)
ICl2
ICl3
I2Cl(-a)
IF(g)
IF5(g)
IF7(g)
IIO(g)
IO(g)
IO3(g)
I2O5
IO(-g)
IO(-a)
IO(-3a)
IO3(-a)
IO4(-a)
I2OH
IOI(g)
IOO(g)
In
In(g)
In2(g)
In(+3g)
In(+3a)
In(+g)
In(AlO2)3(ia)
InAs
InAs(g)
InAsO4
InAsO4(ia)
InBr
InBr(g)
InBr2(g)
InBr3
InBr3(g)
InBr3(ia)
In2Br2(g)
In2Br4(g)
In2Br6(g)
In(BrO3)3(ia)
In(CH3)3(g)
In(CH3COO)3(ia)
In(CHOO)3(ia)
In(CN)3(ia)
In2(CO3)3(ia)
In2(C2O4)3(ia)
InCl
InCl(g)
InCl2
InCl2(g)
InCl3
InCl3(g)
InCl3(ia)
In2Cl2(g)
In2Cl4(g)
In2Cl6(g)
InCl(+2a)
In(ClO)3(ia)
In(ClO2)3(ia)
In(ClO3)3(ia)
In(ClO4)3(ia)
InD(g)
InF(g)
InF2(g)
InF3
InF3(g)
InF3(ia)
In2F2(g)
In2F4(g)
In2F6(g)
InF(+2a)
InH(g)
In(H3)(T g)
InI
InI(g)
InI2
InI2(g)
InI3
InI3(g)
InI3(ia)
In(I3)3(ia)
In2I2(g)
In2I4(g)
In2I6(g)
In(IO3)3(ia)
InN
In(NO2)3(ia)
In(NO3)3(ia)
InO(g)
In2O(g)
In2O3
InO(+a)
InO2(-a)
In(OCN)3(ia)
InOH(g)
In(OH)3
In(OH)3(ia)
InOH(+2a)
InOH(+a)
In(OH)2(+a)
In(OH)O(a)
InP
InP (g)
InP O4(ia)
In4(P 2O7)3(ia)
InS
InS(g)
InS1.2
In2S(g)
In2S2(g)
In2S3
In2S3(ia)
In3S4
In4S5
In5S6
In(SCN)3(ia)
In2(SO3)3(ia)
In2(SO4)3
In2(SO4)3(ia)
In2(S2O3)3(ia)
InSb
InSb(g)
InSb2(g)
In3SbT e2
InSe
InSe(g)
In2Se
In2Se(g)
In2Se2(g)
In2Se3
In2Se3(ia)
In(SeCN)3(ia)
In2(SeO3)3(ia)
In2(SeO4)3(ia)
In2(SiF6)3(ia)
InT e
InT e(g)
InT e2(g)
In2T e
In2T e(g)
In2T e2(g)
In2T e3
In2T e5
In4T e3
In9T e7
In2(T eO3)3(ia)
Ir
Ir(g)
IrBr
IrBr2
IrBr3
IrC(g)
IrCl
IrCl2
IrCl3
IrCl3(g)
IrCl6(-2a)
IrCl6(-3a)
IrF4(g)
IrF5
IrF5(g)
IrF6
IrF6(g)
IrI
IrI2
IrO(g)
IrO2
IrO2(g)
IrO3(g)
Ir2O3
IrO2Cl(g)
Ir(OH)4
IrS2
IrS2.667
Ir2S3
IrSe1.5
IrSe2
IrSe3
IrT e2
IrT e2.67
K
K(g)
K2(g)
K(+g)
K(+a)
K(-g)
K2(+g)
KAg(CN)2
KAg(CN)2(ia)
KAgCl2(ia)
K2AgI3
K2AgI3(ia)
KAl2(AlSi3O10)(OH)2
KAl2(AlSi3O10)(OH)2(M)
KAlCl4
K3AlCl6
K3Al2Cl9
KAlF4(g)
K3AlF6
KAlH4
KAlO2
KAlO2(ia)
KAl3(OH)6(SO4)2
KAl(SO4)2
KAl(SO4)2(ia)
KAl(SO4)2*3H2O
KAl(SO4)2*12H2O
KAl3(SO4)2(OH)6
K2Al6(SO4)5(OH)10*4H2O
KAlSiO4
KAlSiO4(K)
KAlSi2O6
KAlSi3O8
KAlSi3O8(A)
KAlSi3O8(G)
KAlSi3O8(K)
KAlSi3O8(M)
KAlSi3O8(X)
K3AlSi3O8
KAl3Si3O10(OH)2
K3Al3Si3O10(OH)2
KAs
KAs2
K3As
K5As4
KAsO2
KAs3O8
K2As4O11
K3AsO4
K3AsO4(ia)
KBF4
KBF4(g)
KBF4(ia)
KBF3OH(ia)
KBH4
KBH4(ia)
KBO2
KBO2(g)
KBO2(ia)
K2B4O7
K2B8O13
K2B8O17
KB(OH)4(ia)
KBeF3(g)
KBi2
K3Bi2
K5Bi4
KBiO2
KBr
KBr(g)
KBr(a)
KBr3(ia)
KBr5(ia)
K2Br2(g)
KBr2Cl(ia)
KBrI2(ia)
KBrO(ia)
KBrO3
KBrO3(ia)
KBrO4
KBrO4(ia)
KCH3COO(a)
K(CH3COO)2(-a)
KCHO2
KCHO2(a)
K(C2H3O3)(a)
KC3H5O2(a)
K(C3H5O2)(a)
K(C3H5O3)(a)
K(C4H7O2)(a)
K(C5H9O2)(a)
K(CHO2)2(-a)
K(C2H3O3)2(-a)
K(C3H5O2)2(-a)
K(C3H5O3)2(-a)
K(C4H7O2)2(-a)
K(C5H9O2)2(-a)
KCN
KCN(g)
KCN(ia)
K2(CN)2(g)
KCNO(ia)
KCNS
KCNS(ia)
K2CO3
K2CO3(g)
K2CO3(ia)
K2C2O4
K2C2O4(ia)
K2CO3*0.5H2O
K2CO3*1.5H2O
KCaCl3
KCdCl3
KCdCl3(ia)
K4CdCl6
K2CdI4(ia)
KCl
KCl(g)
KCl(a)
K2Cl2(g)
KCl*3LaCl3
*2KCl*LaCl3
KCl*MgCl2
*2KCl*MgCl2
*3KCl*MgCl2
*4KCl*MgCl2
*3KCl*NdCl3
*3KCl*2NdCl3
KClO(ia)
KClO2(ia)
KClO3
KClO3(ia)
KClO4
KClO4(ia)
*3KCl*P rCl3
*3KCl*2P rCl3
K3Co(CN)6
KCrO2
K2CrO4
K2CrO4(g)
K2CrO4(ia)
K2Cr2O7(ia)
K3CrO4
K4CrO4
KCr2O7(-a)
KCr(SO4)2
KCr(SO4)2*12H2O
K3Cu(CNS)4(ia)
KCuCl3
K2CuCl4
K2CuCl4*2H2O
K2CuCl2(H2O)2*Cl2
KD(g)
KF
KF(g)
KF(ia)
K2F2(g)
KF2(-g)
KF*2HF
KF*3HF
KF*2H2O
*4KF*3NbF3O
*5KF*3NbF3O
KF*Nb2O5
*3KF*2Nb2O3
*4KF*3T aF3O
*5KF*3T aF3O
KF*T a2O5
*3KF*2T a2O5
KFe3(AlSi3O10)(OH)2
K3Fe(CN)6
K3Fe(CN)6(a)
K4Fe(CN)6
K4Fe(CN)6(a)
KFe(CN)6(-2a)
KFe(CN)6(-3a)
K4Fe(CN)6*3H2O
KFe3(FeSi3O10)(OH)2
KFeO2
K2FeO2
K4FeO3
KFe3(SO4)2(OH)6
KH
KH(g)
K3H6Al5(PO4)8*18H2O
KH2AsO4
KH2AsO4(ia)
K2HAsO4(ia)
KHCO3
KHCO3(ia)
KHC2O4(ia)
KHCrO4(ia)
KHF2
KHF2(ia)
KH2P O4
KH2P O4(ia)
K2HP O4
K2HP O4(ia)
K2H2P 2O7
K2H2P 2O7(ia)
K3HP 2O7(ia)
KHS(ia)
KHSO3(ia)
KHSO4
KHSO4(a)
KHSO5
KHSe(ia)
KHSeO4(ia)
KH2VO4(ia)
K5HV10O28(ia)
KHgBr3(ia)
K2HgBr4(ia)
KHg(CN)3(ia)
K2Hg(CN)4(ia)
KHgCl3(ia)
K2HgCl4(ia)
KHgI3(ia)
K2HgI4(ia)
KI
KI(g)
KI(a)
KI3(ia)
K2I2(g)
KI*4AgI
KI2Cl(ia)
KIO(ia)
KIO3
KIO3(ia)
KIO4
KIO4(ia)
K2IrCl6
K3IrCl6
KLa(CrO4)2
KLi(g)
KMg3AlSi3O10F2
KMg3(AlSi3O10)(OH)2
KMg(SO4)Cl*3H2O
K2Mg(SO4)2*4H2O
K2Mg(SO4)2*6H2O
KMnO4
KMnO4(ia)
K2MoO4
K2MoO4(ia)
K2Mo2O7
K2Mo3O10
K2Mo4O13
K2Mo8O25
KN3
KN3(ia)
KNH2
KNO2
KNO2(g)
KNO2(ia)
KNO3
KNO3(g)
KNO3(a)
KNO3(ia)
K0.33Na0.667
KNa(g)
KNbCl6
K3NbCl7
KNbF6
K2NbF7
K3NbF8
*2K2NbF7*Nb2O5
K2NbF3O2
K2NbF5O
K3NbF6O
K2NbF5O*Nb2O3
*2K2NbF7*T a2O5
KNbO3(ia)
KNd(CrO4)2
K2Ni(CN)4(ia)
KO(g)
KO2
KO3
K2O
K2O(g)
K2O2
K2O2(g)
K2O3
K2O4
KO(-g)
K2O(+g)
K2O*3B2O3
K2O*Cr2O6
KOH
KOH(g)
KOH(a)
K2(OH)2(g)
K2O2H2(g)
KOH(+g)
KOH*H2O
KOH*2H2O
K2O*3MoO3
K2O*4MoO3
K2O*NpO3
KOOCH(a)
K2O*SiO2
K2O*2SiO2
K2O*4SiO2
K2O*WO3
K2O*WO3(ia)
K2OsCl6
K3P 7
KP F6
KP F6(ia)
KP O3
K3P O4
K3P O4(ia)
K4P 2O7
K4P 2O7(ia)
KP 2O7(-3a)
K3P O4*7H2O
K4P 2O7*3H2O
K2P b(SO4)2
K2P dBr4(ia)
K2P dCl4
K2P dCl6
KP r(CrO4)2
K2P tBr4
K2P tBr4(ia)
K2P tBr6
K2P tBr6(ia)
K2P tCl4
K2P tCl4(ia)
K2P tCl6
K2P tCl6(ia)
K2P tI6(ia)
KP t(NH3)Cl3(ia)
K2ReBr6
K2ReCl6
K2ReCl6(ia)
KReO4
KReO4(ia)
K3RhCl6
KS(g)
K2S
K2S(g)
K2S(ia)
K2S2
K2S2(ia)
K2S3
K2S3(ia)
K2S4
K2S4(ia)
K2S5
K2S5(ia)
K2SO3
K2SO3(ia)
K2SO4
K2SO4(g)
K2SO4(ia)
K2S2O3(ia)
K2S2O4(ia)
K2S2O7
K2S2O8
K2S2O8(ia)
K2S4O6
K2S4O6(ia)
KSO4(-a)
KS2O3(-a)
KS2O8(-a)
K2SO4*BF3
K2SO4*2BF3
KSO2F
K2SO3*H2O
K2SO4*2MgSO4
KSb
KSb2
K3Sb
K5Sb4
KScCl4(g)
K2Se
K2Se(ia)
K2SeO3
K2SeO3(ia)
K2SeO4
K2SeO4(ia)
K2SiF6
K2SiF6(ia)
K3SmCl6
KSm(CrO4)2
KSnBr3(ia)
K2SnBr6
KSnCl3(ia)
K2SnCl6
KT aCl6
K3T aClF7
KT aF6
K2T aF7
K3T aF8
*2K2T aF7*Nb2O3
K2T aF3O2
K2T aF5O
K2T aF5O*T a2O5
*2K2T aF7*T a2O5
KT aO3
KT cO4
K2T e
KT eO4
K2T eO3(ia)
K2T iCl6
K2T iF6
K2T iO3
KUF5(g)
KUF6
K2UO4
K2(UO2)2(P O4)2
K2(UO2)2(VO4)2
K0.27V2O5
KVO3(ia)
KVO4
K2Zn(CN)4(ia)
KZnF3
K2Zn3(P2O7)2*3H2O
Kr(g)
Kr(a)
Kr(+g)
KrF2(g)
La
La(g)
La2(g)
La(+3g)
La(+3a)
La(+2a)
La(+g)
LaAl2
LaAlCl6
LaAl3Cl12(g)
LaAlO3
LaAs
LaAsO4
La(AsO2)3
LaAu(g)
LaB6
LaBi
La(BiO2)3
LaBr3
LaBr3(g)
LaBr3(ia)
La(BrO3)3(ia)
LaC2
LaC2(g)
La(CH3CO2)3(a)
La(CH3CO2)3(ia)
La(CH3CO2)2(+a)
La(CH3COO)3(a)
LaCH3COO(+2a)
La(CH3COO)2(+a)
La(CHO2)3(ia)
LaCHO2(+2a)
La(CHO2)(+2a)
La(CHO2)2(+a)
LaC2H3O2(+2a)
La(C3H5O2)(+2a)
LaC3H5O3(+2a)
La(C4H7O2)(+2a)
LaC5H9O2(+2a)
La(C3H5O2)2(+a)
La(C4H7O2)2(+a)
La(C5H9O2)2(+a)
La(CN)3(ia)
La2(CO3)3(ia)
La2(C2O4)3(ia)
LaCO3(+a)
LaCl2(g)
LaCl3
LaCl3(g)
LaCl3(a)
LaCl(+2a)
LaCl2(+a)
LaCl4(-a)
LaCl3*7H2O
La(ClO3)3(ia)
La(ClO4)3(ia)
LaCoO3
La2(CrO4)3
La2(CrO4)3(ia)
La2(Cr2O7)3(ia)
LaF(g)
LaF2(g)
LaF3
LaF3(g)
LaF3(a)
LaF(+2a)
LaF2(+a)
LaF4(-a)
LaFe(CN)6(ia)
LaFeO3
LaH2
LaHCO3(+2a)
LaH2P O4(+2a)
LaI3
LaI3(g)
LaI3(ia)
La(IO3)3
La(IO3)3(ia)
LaIn3
LaMg
LaMnO3
La(MnO4)3(ia)
LaN
La(NO2)3(ia)
La(NO3)3(ia)
LaNO3(+2a)
LaNi5
La2NiO4
La4Ni3O10
LaO(g)
LaO2(g)
La2O(g)
La2O2(g)
La2O3
LaO(+g)
LaO(+a)
LaO2(-a)
La2O3*Al2O3
LaOCl
La2O3*CuO
LaO2H
LaO2H(a)
La(OH)3
La(OH)3(am)
La(OH)3(ia)
LaOH(+2a)
La2O3*3MoO3
La2O3*3MoO3(ia)
La2O2SO4
La2O3*2ZrO2
LaP O4
LaP O4(ia)
La(P O3)3
LaP O4*2H2O
LaP d3S4
La(ReO4)3
LaRh(g)
LaS
LaS(g)
LaS2
La2S3
La2S3(ia)
La2(SO3)3(ia)
La2(SO4)3
La2(SO4)3(a)
LaSO4(+a)
La(SO4)2(-a)
La2(SO4)3*9H2O
La0.53Sb0.47
LaSb
LaSe
LaSe(g)
La2Se3
La3Se4
La2(SeO3)3
La2(SeO3)3(ia)
La2(SeO4)3(ia)
La2Si2O7
LaT e
LaT e(g)
La2T e3
La2WO6
La2W2O9
La2(WO4)3
La2(WO4)3(a)
La6WO12
La6W2O15
La10W2O21
La10W22O81
La14W8O45
Li
Li(g)
Li2(g)
Li(+a)
Li(+g)
Li(+a)
Li(-g)
Li2(+g)
Li3(+g)
LiAl
LiAlCl4
LiAlF4(g)
Li3AlF6
LiAlH4
Li3AlH6
Li0.5Al2.5O4
LiAlO2
LiAlO2(ia)
LiAl5O8
Li2Al2O4
LiAlSiO4
LiAlSi2O6
LiAlSi2O6(B)
Li2Al2Si8O20
LiAs
LiAsO2
Li3AsO4
Li3AsO4(ia)
LiBF4
LiBH4
LiBH4(ia)
LiBO2
LiBO2(g)
LiB3O5
Li2B4O7
Li2B6O10
Li2B8O13
LiBeF3
LiBeF3(l)
LiBeF3(g)
Li2BeF4
Li3Bi
LiBiO2
LiBr
LiBr(g)
LiBr(ia)
Li2Br2(g)
Li3Br3(g)
LiBr*H2O
LiBr*2H2O
LiBrO3
LiBrO3(ia)
Li2C2
LiCH3COO(a)
Li(CH3COO)2(-a)
LiC2H3O3(a)
LiC3H5O3(a)
LiCHOO(ia)
LiCN(ia)
LiCNS
Li2CO3
Li2CO3(ia)
Li2C2O4(ia)
LiCl
LiCl(g)
LiCl(a)
Li2Cl2
Li2Cl2(g)
Li3Cl3(g)
LiCl*4C2H5OH
Li2ClF(g)
LiCl*H2O
LiClO
LiClO(ia)
LiClO2(ia)
LiClO3(ia)
LiClO4
LiClO4(ia)
LiClO4*H2O
LiClO4*3H2O
LiCrO2
Li2CrO4
Li2CrO4(ia)
Li2Cr2O7(ia)
Li3CrO4
LiD
LiD(g)
LiF
LiF(g)
LiF(ia)
Li2F2(g)
Li3F3(g)
LiF2(-g)
LiFO(g)
Li3Fe(CN)6(ia)
Li4Fe(CN)6(ia)
LiFeO2
LiFe5O8
Li2Fe3O5
Li5FeO4
Li3GaF6
LiH
LiH(g)
Li(H3)(T )
Li(H3)(T g)
LiHCO3(a)
LiHF2
LiH2P O4
Li2HP O4
Li2H2P 2O7
Li3HP 2O7
Li3H2P 3O10
Li4H2P 4O13
LiHP O4(-a)
LiHP 2O7(-2a)
LiHSO4
LiHg
LiHg3
LiI
LiI(g)
LiI(ia)
LiI3(ia)
Li2I2(g)
Li3I3(g)
LiI*H2O
LiI*2H2O
LiI*3H2O
LiIO3
LiIO3(ia)
LiMnO4(ia)
Li2MoO4
Li2MoO4(g)
Li2MoO4(ia)
Li2Mo2O7
LiN(g)
LiN3
LiN3(ia)
Li3N
LiNO2
LiNO2(g)
LiNO2(ia)
LiNO3
LiNO3(g)
LiNO3(ia)
LiNO2*H2O
LiNO3*3H2O
LiNbO3
LiNbO3(ia)
LiO(g)
LiO3
Li2O
Li2O(g)
Li2O2
Li2O2(g)
LiO(-g)
Li2O(+g)
Li2O*5Al2O3
Li2O*B2O3
Li2O*2B2O3
Li2O*3B2O3
LiOCl(g)
LiOD(g)
LiOF(g)
Li2O*Fe2O3
Li2O*5Fe2O3
LiOH
LiOH(g)
LiOH(a)
LiO(H3)(T g)
Li2(OH)2(g)
LiOH(+g)
LiOH*H2O
Li2O*HfO2
Li2O*3MoO3
Li2O*4MoO3
LiON(g)
LiONa
LiONa(g)
Li2O*Nb2O5
Li2O*NpO5
Li2O*SiO2
Li2O*2SiO2
*2Li2O*SiO2
Li2O*T iO2
Li2O*3UO3
Li2O*WO3
Li2O*WO3(ia)
LiP O3
Li3P O4
Li3P O4(ia)
(LiP O3)3
Li4P 2O7
Li4P 2O7(ia)
Li5P 3O10
LiP 2O7(-3a)
LiReO4
LiReO4(ia)
Li2S
Li2S(ia)
Li2SO3
Li2SO3(ia)
Li2SO4
Li2SO4(g)
Li2SO4(B)
Li2SO4(ia)
Li2S2O3(ia)
LiSO4(-a)
Li2SO4*H2O
LiScCl4(g)
(LiScCl4)2(g)
Li2Se
Li2Se(ia)
Li2SeO3(ia)
Li2SeO4
Li2SeO4(ia)
Li2SeO4*H2O(l)
Li2SiF6(ia)
Li2SnO3
LiT aO3
Li2T e
Li2T eO3(ia)
Li2T i3O7
Li2UO4
Li4UO5
LiVO3
LiVO3(ia)
Li3VO4
Li0.05Zn0.9Fe2.05O4
Li2ZrO3
Li4ZrO4
Li8ZrO6
Lu
Lu(g)
Lu(+4a)
Lu(+3g)
Lu(+3a)
Lu(+2g)
LuAl3Cl12(g)
Lu(AsO2)3
Lu(BiO2)3
LuBr3
LuBr3(ia)
Lu(BrO3)3(ia)
LuC2(g)
Lu(CH3COO)3(a)
LuCH3COO(+2a)
Lu(CH3COO)2(+a)
LuC3H5O3(+2a)
Lu(CHOO)3(ia)
Lu(CN)3(ia)
Lu2(C2O4)3(ia)
LuCO3(+a)
LuCl3
LuCl3(g)
LuCl3(a)
LuCl(+2a)
LuCl2(+a)
LuCl4(-a)
LuCl3*6H2O
Lu(ClO)3(ia)
Lu(ClO3)3(ia)
Lu(ClO4)3(ia)
Lu2(CrO4)3(ia)
Lu2(Cr2O7)3(ia)
LuF(g)
LuF3
LuF3(g)
LuF3(a)
LuF(+2a)
LuF2(+a)
LuF4(-a)
LuFe(CN)6(a)
LuFeO3
LuHCO3(+2a)
LuH2P O4(+2a)
LuI3
LuI3(ia)
Lu(IO3)3
Lu(IO3)3(ia)
Lu(MnO4)3(ia)
Lu2(MoO4)3
Lu(NO2)3(ia)
Lu(NO3)3(ia)
LuNO3(+2a)
LuO(g)
Lu2O3
LuO(+a)
LuO2(-a)
LuOCl
LuO2H(a)
Lu(OH)3
Lu(OH)3(ia)
LuOH(+2a)
LuP O4
LuP O4(ia)
LuP O4*2H2O
Lu(ReO4)3
LuS
LuS(g)
Lu2S3
Lu2(SO3)3(ia)
Lu2(SO4)3(ia)
LuSO4(+a)
Lu(SO4)2(-a)
LuSe
LuSe(g)
Lu2Se3
LuT e
LuT e(g)
Lu2T e3
Lu2(WO4)3
Mg
Mg(g)
Mg2(g)
Mg(+2a)
Mg(+2g)
Mg(+2a)
Mg(+g)
Mg(+a)
Mg2Al3(AlSi5O18)H2O
MgAl2Cl8(g)
MgAl3Cl11(g)
MgAl2O4(ia)
Mg7Al9O4*Al9Si3O36
Mg2Al4SiO10
Mg2Al4Si5O18
Mg3Al2Si3O12
Mg3.5Al18Si7.75O44(OH)4
Mg5Al2Si3O10(OH)8
Mg(AsO2)2
Mg3(AsO4)2
Mg3(AsO4)2(ia)
MgB2
MgB4
MgB12
Mg(BiO2)2
MgBr
MgBr(g)
MgBr2
MgBr2(g)
MgBr2(ia)
Mg2Br4(g)
MgBr2(+g)
MgBr2*6H2O
Mg(BrO3)2(ia)
MgBrOH(g)
MgC2
Mg2C3
Mg(CH3COO)2(a)
Mg(CH3COO)2(ia)
MgCH3COO(+a)
Mg(C2H4NO2)2(a)
Mg(C3H6NO2)2(a)
MgC2H4NO2(+a)
MgC3H6NO2(+a)
Mg(CHO2)2(a)
Mg(C2H3O3)2(a)
Mg(C3H5O2)2(a)
Mg(C3H5O3)2(a)
Mg(C4H7O2)2(a)
Mg(C5H9O2)2(a)
MgCHO2(+a)
MgC2H3O3(+a)
MgC3H5O2(+a)
Mg(C3H5O2)(+a)
MgC3H5O3(+a)
Mg(C4H7O2)(+a)
MgC5H9O2(+a)
Mg(CN)2(ia)
Mg(CNS)2(ia)
MgCO3
MgCO3(a)
MgCO3(M)
MgCO3(ia)
MgC2O4(ia)
MgCO3*3H2O
MgCO3*5H2O
MgCd
MgCd3
MgCe
MgCl
MgCl(g)
MgCl2
MgCl2(g)
MgCl2(a)
Mg2Cl4(g)
MgCl(+g)
MgCl(+a)
MgClF(g)
MgCl2*H2O
MgCl2*2H2O
MgCl2*4H2O
MgCl2*6H2O
Mg(ClO)2(ia)
Mg(ClO2)2(ia)
Mg(ClO3)2
Mg(ClO3)2(ia)
Mg(ClO4)2
Mg(ClO4)2(ia)
Mg(ClO4)2*6H2O
MgCrO4
MgCrO4(ia)
MgCr2O3
MgCr2O4
MgCr2O7(ia)
MgCu2
Mg2Cu
MgCu1.34Al0.66
MgCuZn
MgD2
MgF(g)
MgF2
MgF2(g)
MgF2(ia)
Mg2F4(g)
MgF(+g)
MgF(+a)
MgF2(+g)
MgFOH(g)
Mg2Fe(CN)6(ia)
Mg3Fe2(CN)12(ia)
MgFe(CN)6(-2a)
MgFe1.415Cr0.632O4.07
MgFe2O4
MgGa2O4
Mg2Ge
MgGeO3
Mg2GeO4
MgH(g)
MgH2
Mg(HCO3)(+a)
Mg(HCOO)2
Mg(HCOO)2(ia)
Mg(HCOO)(+a)
Mg(HSiO3)(+a)
MgHg
MgHg2
Mg2Hg
Mg3Hg
Mg5Hg2
Mg5Hg3
MgI(g)
MgI2
MgI2(g)
MgI2(ia)
Mg(I3)2(ia)
Mg(IO3)2(ia)
MgIOH(g)
Mg3La2(NO3)12*24H2O
MgMn2O4
Mg(MnO4)2(ia)
MgMoO3
MgMoO4
MgN(g)
Mg3N2
Mg(NO2)2(ia)
Mg(NO3)2
Mg(NO3)2(ia)
Mg(NO3)2*2H2O
Mg(NO3)2*6H2O
MgNb2O6(ia)
MgNi2
Mg2Ni
MgO
MgO(l)
MgO(g)
MgO(M)
MgO2
MgO*Al2O3
MgOH(g)
Mg(OH)2
Mg(OH)2(g)
Mg(OH)2(ia)
MgOH(+g)
MgOH(+a)
Mg2(OH)(+3a)
Mg4(OH)4(+4a)
Mg2(OH)2CO3*3H2O
Mg5(OH)2(CO3)4*4H2O
Mg(OH)Cl
Mg(OH)Cl(g)
*3MgO*2SiO2*2H2O
*3MgO*4SiO2*H2O
*7MgO*8SiO2*H2O
Mg3P2
Mg2P2O7
Mg2P2O7(ia)
Mg3(PO4)2
Mg3(PO4)2(ia)
MgP2O7(-2a)
Mg2Pb
Mg(ReO4)2(ia)
MgS
MgS(g)
MgS(ia)
MgSO3
MgSO3(ia)
MgSO4
MgSO4(a)
MgSO4(A)
MgSO4(B)
MgSO4(ia)
MgS2O3(ia)
MgSO3*3H2O
MgSO3*6H2O
MgSO4*H2O
MgSO4*2H2O
MgSO4*4H2O
MgSO4*5H2O
MgSO4*6H2O
MgSO4*7H2O
Mg3Sb2
Mg(SbO3)2
Mg2Sb2O7
Mg3(SbO4)2
MgSe
MgSe(ia)
MgSeO3
MgSeO3(ia)
MgSeO4
MgSeO4(ia)
MgSeO3*6H2O
MgSeO4*H2O
MgSeO4*4H2O
MgSeO4*6H2O
Mg2Si
MgSiF6(ia)
MgSiO3
MgSiO3(G)
MgSiO3(HP)
MgSiO3(HT )
MgSiO3(I)
MgSiO3(L)
MgSiO3(M)
MgSiO3(P)
MgSiO3(PE)
Mg2SiO4
Mg2SiO4(BF)
Mg2SiO4(F)
Mg2SiO4(GF)
Mg4Si6O21H12
Mg4Si6O23H14
Mg3Si2O5(OH)4
Mg6Si4O10(OH)8
Mg7Si8O22(OH)2
Mg48Si34O85(OH)62
Mg2Sn
MgT e
MgT eO3
MgT eO3(ia)
MgT eO3*5H2O
MgT eO3*6H2O
Mg2T h
MgT iO3
MgT i2O5
Mg2T iO4
MgUO4
Mg(UO2)2(PO4)2
Mg(VO3)2
MgV2O6
MgV2O6(ia)
Mg2V2O7
Mg3(VO4)2
MgWO4
MgWO4(ia)
MgZn2
Mg48Zn52
Mn
Mn(g)
Mn(G)
Mn(+3a)
Mn(+2a)
Mn(+g)
Mn2(+3g)
Mn2(+2a)
MnAlCl5(g)
MnAl2Cl8(g)
MnAl3Cl11(g)
MnAl2Si2O6(OH)4
MnAs
Mn3(AsO4)2
MnB
MnB2
Mn2B
Mn3B4
MnBr(g)
MnBr2
MnBr2(g)
MnBr2(a)
MnBr2(ia)
MnBr2*4H2O
MnBr2*6H2O
MnC2
Mn3C
Mn7C3
Mn15C4
Mn23C6
Mn(C5H5)2
Mn(CH3COO)2(a)
MnCH3COO(+a)
Mn(CH3COO)3(-a)
Mn(C2H4NO2)2(a)
Mn(C3H6NO2)2(a)
MnC2H4NO2(+a)
MnC3H6NO2(+a)
Mn(CHO2)2(a)
Mn(C2H3O3)2(a)
Mn(C3H5O2)2(a)
Mn(C3H5O3)2(a)
Mn(C4H7O2)2(a)
Mn(C5H9O2)2(a)
MnCHO2(+a)
Mn(CHO2)(+a)
MnC2H3O3(+a)
Mn(C3H5O2)(+a)
MnC3H5O3(+a)
Mn(C4H7O2)(+a)
MnC5H9O2(+a)
Mn(CN)2(ia)
MnCO3
MnCO3(ia)
MnC2O4(a)
Mn2(CO)10
Mn2(CO)10(g)
Mn(C2O4)2(-2a)
Mn(CO)5Br(g)
Mn(CO)5Cl(g)
Mn(CO)5I(g)
Mn0.9554Ca0.0446SiO3
MnCl(g)
MnCl2
MnCl2(g)
MnCl2(ia)
MnCl3
MnCl3(g)
MnCl4(l)
MnCl4(g)
Mn2Cl4(g)
MnCl(+a)
MnCl2*H2O
MnCl2*2H2O
MnCl2*4H2O
MnClO3(g)
Mn(ClO3)2(ia)
Mn(ClO4)2(ia)
MnCrO4(ia)
MnCr2O7(ia)
MnF(g)
MnF2
MnF2(g)
MnF2(ia)
MnF3
MnF3(g)
MnF4
MnF4(g)
MnF(+a)
MnF2*4H2O
MnFO3(g)
Mn2Fe(CN)6(ia)
MnFe2Cl8(g)
MnGaCl5(g)
MnGa2Cl8(g)
MnGa2S4
Mn3Ga2S6
Mn5Ge3
MnH(g)
MnHg
Mn2Hg5
MnI(g)
MnI2
MnI2(g)
MnI2(ia)
Mn2I4(g)
MnI2*4H2O
Mn(IO3)2
Mn(IO3)2(ia)
MnInCl5(g)
MnIn2Cl8(g)
MnIn2S4
Mn(MnO4)2(ia)
Mn3N2
Mn4N
Mn5N2
Mn(NO2)2(ia)
Mn(NO3)2
Mn(NO3)2(ia)
MnO
MnO(g)
MnO(a)
MnO2
MnO2(g)
Mn2O3
Mn3O4
MnO2(-2a)
MnO4(-a)
MnO4(-2a)
MnO*Al2O3
MnO*Fe2O3
MnOH(g)
Mn(OH)2
Mn(OH)2(ia)
MnOH(+a)
MnO*MoO3
*2MnO*3MoO2
MnO*OH
MnO*T iO2
*2MnO*T iO2
MnP
MnP 3
Mn2P
Mn3P
Mn3P 2
Mn3(P O4)2
MnS
MnS(g)
MnS2
MnSCN(+a)
MnSO3(ia)
MnSO4
MnSO4(a)
MnSO4(ia)
MnSO4*H2O
MnSO4*4H2O
MnSO4*5H2O
MnSO4*7H2O
MnSb
Mn2Sb
MnSe
MnSe(g)
MnSe(ia)
MnSe2
MnSeO3
MnSeO3(a)
MnSeO3(ia)
MnSeO4
MnSeO4*H2O
MnSi
MnSi1.7
MnSi1.727
Mn3Si
Mn5Si3
MnSiO3
Mn2SiO4
MnSn2
MnT e
MnT e2
MnT eO3
MnT eO4
MnT e2O5
Mn2T e3O8
MnT iO2
MnT i2O5
Mn(VO3)2
Mn(VO3)2(ia)
MnWO4
Mn0.703Zn0.0884Ca0.2086S
Mo
Mo(g)
Mo2
Mo2(g)
Mo(+6g)
Mo(+5g)
Mo(+4g)
Mo(+3g)
Mo(+2g)
Mo(+g)
Mo(-g)
MoAsO4
MoB
MoB1.07
MoB1.65
MoB2
MoB2.15
MoB3.8
Mo2B
Mo2B5
MoBe12
MoBr(g)
MoBr2
MoBr2(g)
MoBr3
MoBr3(g)
MoBr4
MoBr4(g)
MoBr5
MoBr5(g)
MoBr6(g)
MoC0.47
MoC0.4815
MoC0.487
MoC0.5
MoC0.64
MoC0.68
MoC
Mo2C
Mo3C2
Mo(CO)6
Mo(CO)6(g)
MoCl(g)
MoCl2
MoCl2(g)
MoCl3
MoCl3(g)
MoCl3.08
MoCl4
MoCl4(g)
MoCl5
MoCl5(g)
MoCl6
MoCl6(g)
MoClO(g)
MoClO2(g)
MoCl2O
MoCl2O(g)
MoCl2O2
MoCl2O2(g)
MoCl3O
MoCl3O(g)
MoCl4O
MoCl4O(g)
MoF(g)
MoF2
MoF2(g)
MoF3
MoF3(g)
MoF4
MoF4(g)
MoF5
MoF5(g)
MoF6(l)
MoF6(g)
Mo2F10(g)
Mo3F15(g)
MoFO(g)
MoFO2(g)
MoF2O(g)
MoF2O2(g)
MoF3O(g)
MoF4O(g)
Mo0.395Fe0.606
MoI(g)
MoI2
MoI2(g)
MoI3
MoI3(g)
MoI4
MoI4(g)
MoI5
MoI5(g)
MoI6(g)
MoN
MoN(g)
Mo2N
MoNi0.92
MoNi4
MoO(g)
MoO2
MoO2(g)
MoO2.75
MoO2.875
MoO2.889
MoO3
MoO3(g)
MoO4(a)
Mo2O6(g)
Mo3O9(g)
Mo4O11
Mo4O12(g)
Mo5O15(g)
Mo9O26
MoO2(+2a)
MoO3(-g)
MoO4(-2a)
Mo7O24(-6a)
MoOBr3
MoOBr3(g)
MoOBr4(g)
MoO2Br2
MoO2Br2(g)
MoO2Br2(a)
MoO2Cl2*H2O
MoOF4
MoOF4(g)
MoOH(g)
Mo(OH)2(g)
MoO3*H2O
MoO2I2
MoO(OH)(g)
MoO(OH)2(g)
MoS(g)
MoS2
MoS2(g)
MoS3
Mo2S3
MoSe2
Mo3Se4
MoSi2
Mo3Si
Mo5Si3
MoT e2
Mo3T e4
N(g)
N2(g)
N2(a)
N2(0.01barg)
N2(0.05barg)
N2(0.1barg)
N2(0.5bar)
N2(0.5barg)
N2(10000bar)
N2(1000bar)
N2(100bar)
N2(10bar)
N2(10barg)
N2(11000bar)
N2(12000bar)
N2(13000bar)
N2(14000bar)
N2(15000bar)
N2(16000bar)
N2(17000bar)
N2(18000bar)
N2(19000bar)
N2(1bar)
N2(1barg)
N2(20000bar)
N2(2000bar)
N2(200bar)
N2(20bar)
N2(20barg)
N2(21000bar)
N2(22000bar)
N2(3000bar)
N2(300bar)
N2(30bar)
N2(30barg)
N2(4000bar)
N2(400bar)
N2(40bar)
N2(5000bar)
N2(500bar)
N2(50bar)
N2(5bar)
N2(5barg)
N2(6000bar)
N2(600bar)
N2(60bar)
N2(7000bar)
N2(700bar)
N2(70bar)
N2(8000bar)
N2(800bar)
N2(80bar)
N2(9000bar)
N2(900bar)
N2(90bar)
N3(g)
N(+g)
N(-g)
N2(+g)
N2(-g)
N3(-g)
N3(-a)
N11As8
NBr(g)
NCN(g)
N4CNS(a)
NCO(g)
ND(g)
ND2(g)
ND3(g)
N2D2(g)
N2D2(tg)
N2D4(g)
ND(H3)2(T g)
ND2(H3)(T g)
NF(g)
NF2(g)
NF3(g)
NF3(a)
N2F2(g)
N2F2(Mg)
N2F2(T g)
N2F4(g)
N2F4(T g)
NF2Cl(g)
NF3O(g)
NH(g)
NH2(g)
NH3(g)
NH3(a)
NH3(0.01barg)
NH3(0.05barg)
NH3(0.1barg)
NH3(0.5bar)
NH3(0.5barg)
NH3(10000bar)
NH3(1000bar)
NH3(100bar)
NH3(100barg)
NH3(10bar)
NH3(10barg)
NH3(1500bar)
NH3(1bar)
NH3(1barg)
NH3(2000bar)
NH3(200bar)
NH3(20bar)
NH3(20barg)
NH3(2500bar)
NH3(3000bar)
NH3(300bar)
NH3(30bar)
NH3(30barg)
NH3(3500bar)
NH3(4000bar)
NH3(400bar)
NH3(40bar)
NH3(40barg)
NH3(4500bar)
NH3(5000bar)
NH3(500bar)
NH3(50bar)
NH3(50barg)
NH3(5bar)
NH3(5barg)
NH3(6000bar)
NH3(600bar)
NH3(60bar)
NH3(60barg)
NH3(7000bar)
NH3(700bar)
NH3(70bar)
NH3(70barg)
NH3(800bar)
NH3(80bar)
NH3(80barg)
NH3(9000bar)
NH3(900bar)
NH3(90bar)
NH3(90barg)
N(H3)3(T g)
N2H2(g)
N2H2(Bg)
N2H2(Cg)
N2H2(tg)
N2H4(l)
N2H4(g)
N2H4(a)
N3H(l)
N3H(g)
N3H(a)
NH(+g)
NH3(+g)
NH4(+g)
NH4(+a)
N2H5(+a)
N2H6(+2a)
NH4(AlO2)(ia)
NH4*Al(SO4)2
NH4Al(SO4)2(ia)
NH4*Al(SO4)2*12H2O
NH4AsO2(ia)
(NH4)3AsO4(ia)
NH4BO2(ia)
(NH4)2BeF4
NH4Br
NH4Br(ia)
NH4Br3
NH4Br3(ia)
NH4Br5(ia)
N2H5Br(ia)
NH4Br2Cl(ia)
NH4BrI2(ia)
NH4Br2I
NH4Br*1.5NH3
NH4BrO(ia)
NH4BrO3(ia)
NH2CH2CH2SO3(-a)
NH2CH2CH2SO3H(a)
NH2CH2CH2SO3H(ia)
NH4CH3COO(a)
NH2CH2COO(-a)
NH4(CH3COO)2(-a)
NH2CH2COOCs(ia)
NH2CH2COOH(ia)
NH3CH2COOH(+a)
NH2CH2COORb(ia)
NH4CHO2(ia)
NH2C2H4SO3Cs(ia)
NH4CN(ia)
(NH4)2CO3(ia)
(NH4)2C2O4(ia)
(NH4)2CO3(-a)
NH2CONHNH2(a)
NH4Cl
NH4Cl(ia)
N2H5Cl(ia)
N4H4Cl8
NH4ClO(ia)
NH4ClO2(ia)
NH4ClO3(ia)
NH4ClO4
NH4ClO4(ia)
N2H5ClO4(a)
(NH4)2CrO4
(NH4)2CrO4(ia)
(NH4)2Cr2O7(ia)
NH4Cr(SO4)2*12H2O
(NH4)2Cr(SO4)2*12H2O
(NH4)2CuCl4*2H2O
NHD2(g)
NH2D(g)
NHD(H3)(T g)
NH4Eu2Cl7
(NH4)2EuCl5
(NH4)3EuCl6
NHF(g)
NHF2(g)
NH2F(g)
NH4F
NH4F(ia)
NH(H3)2(T g)
NH2(H3)(T g)
N2H4*H(+a)
N2H4*H2(+2a)
NH4H2AsO3(ia)
NH4H2AsO4
NH4H2AsO4(ia)
(NH4)2HAsO4(ia)
NH4HCO3
NH4HCO3(ia)
NH4HC2O4(ia)
NH4HCrO4(ia)
NH4HF2
NH4HF2(ia)
NH3*0.5H2O(l)
NH3*H2O(l)
NH3*2H2O(l)
NH4HO2(ia)
N2H4*H2O(g)
NH4*H2P O4
NH4H2P O4(ia)
NH4H3P 2O7(ia)
(NH4)2HP O4(ia)
(NH4)2H2P 2O7(ia)
(NH4)3HP 2O7(ia)
NH4HS
NH4HS(ia)
NH4HSO3(ia)
NH4HSO4
NH4HSO4(ia)
(N2H4)2*H2SO4(a)
NH4HSe
NH4HSe(ia)
NH4HSeO3(ia)
NH4HSeO4(ia)
NH4HSiF6(ia)
NH4HT e
NH4I
NH4I(ia)
NH4I3
NH4I3(ia)
NH4I2Cl(ia)
NH4I*NH3
NH4I*2NH3
NH4IO(ia)
NH4IO3(ia)
NH4IO4
NH4I*3SO2
(NH4)2LaBr5
(NH4)2LaCl5
(NH4)2LaI5
NH4MnO4(ia)
(NH4)2MoO4(ia)
NH4N3
NH4N3(ia)
NH2NO2(g)
NH4NO2(ia)
NH4NO3
NH4NO3(ia)
N2H5NO3(a)
NH4NbO3(ia)
NH4Nd2Br7
(NH4)2NdBr5
(NH4)3NdBr6
NH4Nd2Cl7
(NH4)2NdCl5
(NH4)2NdI5
(NH4)3NdI6
(NH4)2O(l)
(NH4)2O*3Al2O3*4SO3*6H2O
NH4OCN(ia)
NH2OH(g)
NH2OH(a)
NH4OH
NH4OH(l)
NH4OH(ia)
N2H5OH(a)
NH2OH*H(+a)
(NH4)3P O4(ia)
(NH4)4P 2O7(ia)
NH4ReO4
(NH4)2S(ia)
(NH4)2S2(ia)
(NH4)2S3(ia)
(NH4)2S4(ia)
(NH4)2S5(ia)
NH4SCN(ia)
(NH4)2SO3(ia)
(NH4)2SO4
(NH4)2SO4(ia)
(NH4)2S2O4(ia)
(NH4)2S2O8(ia)
(N2H5)2SO4(ia)
(NH4)2SO4*3NH3
(NH4)2Sb2S4(ia)
NH4*ScF4
(NH4)3*ScF6
NH4SeCN(ia)
(NH4)2SeO3(ia)
(NH4)2SeO4(ia)
(NH4)2SiF6(C)
(NH4)2SiF6(H)
(NH4)2SiF6(ia)
NH4Sm2Cl7
(NH4)2SmCl5
NH4SnBr3(ia)
NH4SnCl3(ia)
(NH4)2SnCl6
NH4T cO4(ia)
NH4(UO2)2F5
(NH4)3UO2F5
NH4(UO2)2F5*3H2O
NH4(UO2)2F5*4H2O
(NH4)2(UO2)2(P O4)2
NH4VO3
NH4VO3(ia)
(NH4)2WO4(ia)
(NH4)3YBr6
NH4Y2Cl7
(NH4)3YCl6
(NH4)3YI6
NI5P 2
NO(g)
NO(a)
NO2(g)
NO3(g)
N2O(g)
N2O(a)
N2O2(g)
N2O3(g)
N2O4
N2O4(l)
N2O4(g)
N2O5
N2O5(g)
NO(+g)
NO2(+g)
NO2(-g)
NO2(-a)
NO3(-g)
NO3(-a)
N2O(+g)
N2O2(-2a)
NOBr(g)
NOCl(g)
NO2Cl(g)
NOF(g)
NOF3(g)
NO2F(g)
NOI(g)
NOSCN(ia)
NOVF6
N3P 34Cl6
NS(g)
NSF(g)
NSF3(g)
NSe(g)
Na
Na(g)
Na2(g)
Na(+g)
Na(+a)
Na(-g)
NaAg(g)
NaAg(CN)2(ia)
NaAgCl2(ia)
Na2AgI3(ia)
NaAl2(AlSi3O10)(OH)2
NaAlCO3(OH)2
NaAlCl4
NaAlCl4(g)
Na2AlCl6
Na3AlCl6
NaAlF4(g)
(NaAlF4)2(g)
Na3AlF6
Na3AlF6(l)
Na3AlF6(A)
Na3AlF6(B)
Na5Al3F14
NaAlH4
Na3AlH6
NaAlO2
NaAlO2(ia)
NaAlOF2(g)
NaAl(OH)4
NaAl(OH)4(a)
NaAl(OH)4(ia)
NaAl(SO4)2(ia)
NaAl3(SO4)2(OH)6
Na0.96Al0.96Si2.04O6
NaAlSiO4
NaAlSiO4(K)
NaAlSi2O6(D)
NaAlSi2O6(J)
NaAlSi3O8
NaAlSi3O8(A)
NaAlSi3O8(AN)
NaAlSi3O8(G)
NaAlSi3O8(LA)
Na2Al2Si4O12(J)
Na2Al2Si6O16(HA)
Na2Al2Si6O16(LA)
*3NaAlSi3O8*CaCO3
Na0.96Al0.96Si2.04O6*H2O
NaAlSi2O6*H2O
NaAl3Si3O10(OH)2
NaAs
NaAs2
Na3As
NaAsO2
NaAsO2(ia)
NaAs3O8
Na2As4O11
Na3AsO4
Na3AsO4(ia)
NaAt
NaAu(g)
NaAu(CN)2(ia)
NaAuCl4(ia)
NaBF4
NaBF4(ia)
NaBF3OH(ia)
NaBH4
NaBH4(ia)
NaBO2
NaBO2(g)
NaBO2(ia)
NaBO3
NaB3O5
Na2B4O7
Na2B4O7(B)
Na2B6O10
Na2B8O13
NaB(OH)4(ia)
Na2B4O7*10H2O
NaBeF3(g)
Na3Bi
NaBiO2
NaBr
NaBr(g)
NaBr(a)
NaBr3(ia)
NaBr5(ia)
Na2Br2(g)
NaBr*2H2O
NaBrI2(ia)
NaBrO(ia)
NaBrO3
NaBrO3(ia)
NaBrO4(ia)
Na2C2
NaCH3COO(a)
Na(CH3COO)2(-a)
NaCH3COO*3H2O
NaCHO2
NaCHO2(a)
NaC2H3O2
Na(C2H3O3)(a)
NaC3H5O2(a)
Na(C3H5O2)(a)
Na(C3H5O3)(a)
Na(C4H7O2)(a)
NaC5H9O2(a)
Na(CHO2)2(-a)
Na(C2H3O3)2(-a)
Na(C3H5O2)2(-a)
Na(C3H5O3)2(-a)
Na(C4H7O2)2(-a)
Na(C5H9O2)2(-a)
NaCHOO*2H2O
NaCHOO*3H2O
NaCN
NaCN(l)
NaCN(g)
NaCN(ia)
Na2(CN)2(g)
NaCN*0.5H2O
NaCN*2H2O
NaCNO
NaCNO(ia)
NaCNS
Na2CO3
Na2CO3(l)
Na2CO3(ia)
Na2C2O4
Na2C2O4(ia)
NaCO3(-a)
Na2CO3*H2O
Na2CO3*7H2O
Na2CO3*10H2O
Na2CO3*3NaHCO3
Na2CO3*NaHCO3*2H2O
NaCa3Al5Si7O24CO3
NaCa2Fe4Al3Si6O24H2
Na2CaFe5(Si4O11)2(OH)2
NaCa2Mg4Al3Si6O24H2
NaCa2Mg4Al3Si6O24H2(P)
NaCa2Mg5AlSi7O22(OH)2
NaCd2
Na2Cd(CN)4(ia)
NaCdCl3(ia)
Na2CdI4(ia)
NaCl
NaCl(g)
NaCl(a)
NaCl(H)
Na2Cl2(g)
Na3Cl3(g)
NaCl*MgCl2
*2NaCl*MgCl2
*2NaCl*3MgCl2
*6NaCl*MgCl2
NaClO(ia)
NaClO2
NaClO2(ia)
NaClO3
NaClO3(ia)
NaClO4
NaClO4(ia)
NaClO2*3H2O
NaClO4*H2O
Na2CrO4
Na2CrO4(ia)
Na2Cr2O4
Na2Cr2O7
Na2Cr2O7(ia)
Na2CrO4*4H2O
NaCu(g)
Na3Cu(CNS)4(ia)
NaD
NaF
NaF(l)
NaF(g)
NaF(a)
Na2F2(g)
Na3F3(g)
NaF2(-g)
*5NaF*3AlF
NaF*BF3
*5NaF*3GaF3
NaF*2HF
Na2Fe3Al2Si8O24H2
Na3Fe(CN)6(ia)
Na4Fe(CN)6(ia)
NaFeCl4(g)
NaFeI3(g)
Na2FeI4(g)
NaFeO2
NaFeO2(l)
Na8Fe2O7
NaFe3(SO4)2(OH)6
NaFe(SiO3)2
Na2Fe5T iSi6O20
NaGaBr4(ia)
NaGaF4
Na3GaF6
NaH
NaH(g)
NaH2AsO3(ia)
NaH2AsO4(ia)
Na2HAsO4(ia)
NaHCO3
NaHCO3(ia)
NaHCrO4(ia)
NaHF2
NaHF2(ia)
Na2H2Fe(CN)6(ia)
Na3HFe(CN)6(ia)
NaHO2(ia)
NaH2PO4
NaH2PO4(ia)
NaH3P2O7
Na2HPO4
Na2HPO4(ia)
Na2H2P2O7
Na2H2P2O7(ia)
Na3HP2O7
Na3HP2O7(ia)
Na2HPO4*2H2O
Na2HPO4*7H2O
Na2HPO4*12H2O
NaHS(ia)
NaHSO3(ia)
NaHSO4
NaHSO4(ia)
NaHSO4*H2O
NaHSeO3(ia)
NaHSeO4(ia)
NaHSiO3(a)
NaH2SiO4*7H2O
NaH2SiO4*8H2O
NaH2VO4(ia)
Na5HV10O28(ia)
NaHg
NaHg2
NaHg4
Na3Hg
Na3Hg2
Na5Hg2
Na7Hg8
NaHgBr3(ia)
Na2HgBr4(ia)
NaHg(CN)3(ia)
Na2Hg(CN)4(ia)
Na2Hg(CNS)4(ia)
NaHgCl3(ia)
Na2HgCl4(ia)
NaHgI3(ia)
Na2HgI4(ia)
NaI
NaI(g)
NaI(a)
NaI3(ia)
Na2I2(g)
NaI*3CH3OH
NaI*2H2O
NaIO(ia)
NaIO3
NaIO3(a)
NaIO4
NaIO4(ia)
NaIO3*H2O
NaIO3*5H2O
NaIn
NaLi(g)
NaLiSO4
NaLiSO4(l)
NaMg3AlSi3O10(OH)2
Na2Mg3Al2Si8O22(OH)2
NaMgF3
NaMnO4
NaMnO4(ia)
Na2MnO4(ia)
Na2MoO4
Na2MoO4(ia)
Na2Mo2O7
Na2MoO4*H2O
NaN3
NaN3(ia)
NaNH2
NaNH3
NaNH4HPO4*4H2O
NaNO2
NaNO2(g)
NaNO2(ia)
NaNO3
NaNO3(g)
NaNO3(ia)
NaNbO3
NaNbO3(ia)
Na3NbO4
Na2Ni(CN)4(ia)
NaNiF3
Na3NpF8
NaO(g)
NaO2
NaO3
Na2O
Na2O(l)
Na2O(g)
Na2O2
Na2O2(g)
NaO(-g)
Na2O(+g)
Na2O*Al2O3
*3Na2O*As2O5
Na2O*B2O3
NaOCH3(ia)
NaOCN
Na2O*Fe2O3
NaOH
NaOH(l)
NaOH(g)
NaOH(a)
Na2O2H2(g)
NaOH(+g)
NaOH*H2O
NaOH*2H2O(l)
NaOH*3.5H2O(l)
Na2O*2MoO3
Na2O*NpO3(A)
Na2O*NpO3(B)
*2Na2O*NpO3(B)
NaOP(g)
Na2O*SiO2(l)
Na2O*2SiO2
Na2O*3SiO2
*2Na2O*SiO2
*3Na2O*2SiO2
Na2O*T iF4
Na2O*T iO2
Na2O*2T iO2
Na2O*3T iO2
*4Na2O*5T iO2
*2Na2O*UO3
*3Na2O*7UO3
Na3P7
NaPO2(g)
NaPO3
NaPO3(g)
Na2P2O6
Na3PO4
Na3PO4(ia)
(NaPO3)3
Na4P2O7
Na4P2O7(ia)
Na5P3O10(A)
Na5P3O10(B)
Na6P2O8
Na3PO4*12H2O
Na4P2O7*10H2O
Na5P3O10*6H2O
NaPb
NaPb3
Na9Pb4
Na13Pb5
Na15Pb4
NaPbI3(g)
Na2PdBr4(ia)
Na2PdCl4
Na2PdCl4(ia)
Na2PtCl4(ia)
Na2PtCl6
Na2ReCl6(ia)
NaReO4
NaReO4(ia)
NaS
NaS2
Na2S
Na2S(l)
Na2S(ia)
Na2S2
Na2S2(ia)
Na2S3
Na2S3(ia)
Na2S4
Na2S4(ia)
Na2S5(ia)
NaSCN
NaSCN(a)
Na2SO3
Na2SO3(ia)
Na2SO4
Na2SO4(l)
Na2SO4(g)
Na2SO4(ia)
Na2S2O3
Na2S2O3(ia)
Na2S2O4(ia)
Na2S2O7
Na2S2O8(ia)
NaSO4(-a)
NaS2O3(-a)
Na2SO4*BF3
Na2SO3*7H2O
Na2SO4*7H2O
Na2SO4*10H2O
Na2S2O3*5H2O
NaSb
Na3Sb
Na3SbO4
Na3SbO4(a)
NaScCl4
Na2Se
Na2Se(ia)
Na2Se2
Na2SeO3
Na2SeO3(ia)
Na2SeO4
Na2SeO4(ia)
Na2SiF6
Na2SiF6(ia)
Na2SiO3
Na2SiO3*5H2O
Na2SiO3*6H2O
Na2SiO3*8H2O
Na2SiO3*9H2O
NaSn
Na2Sn
NaSnBr3(g)
NaSnBr3(ia)
NaSnCl3(g)
NaSnCl3(ia)
NaT aO3
NaT e
NaT e3
Na2T e
Na2T e2
Na2T eO3
Na2T eO3(ia)
Na2T eO4
Na2T i6O13
NaT l
NaUF6
NaUO3
Na2UO4
Na2UO4(A)
Na2U2O7
Na3UO4
NaUO2(CH3COO)3
Na2(UO2)2(PO4)2
Na0.27V2O5
NaVO3
NaVO3(ia)
Na2V2O6
Na2V2O7
Na3VO4
Na4V2O7
Na0.679WO3
Na2WO4
Na2WO4(ia)
Na2W2O7
Na2WO4*2H2O
Na2Zn(CN)4(ia)
Na2ZnO2
Na2ZrO3
Na2ZrSiO5
Na2ZrSi2O7
Na4Zr2(SiO4)3
Nb
Nb(g)
Nb(+3a)
Nb(+g)
Nb(-g)
NbB1.875
NbB1.97
NbB2
NbBr5
NbBr5(g)
NbBr3O(g)
NbC0.5
NbC0.7
NbC0.702
NbC0.71
NbC0.75
NbC0.825
NbC0.83
NbC0.85
NbC0.87
NbC0.88
NbC0.98
NbC0.99
NbC
Nb2C
Nb3C
NbCl2
NbCl2.33
NbCl2.67
NbCl3
NbCl3(g)
NbCl3.13
NbCl4
NbCl4(g)
NbCl5
NbCl5(g)
NbCr2
NbF5
NbF5(g)
NbFe2
NbI2(g)
NbI3(g)
NbI4(g)
NbI5
NbI5(g)
NbN0.88
NbN
NbN(g)
Nb2N
Nb3N
NbO
NbO(g)
NbO2
NbO2(g)
Nb2O5
NbO3(-a)
NbOCl2
NbOCl3
NbOCl3(g)
NbO2Cl
NbOF3
NbOF3(g)
NbO2F
Nb(OH)O2(a)
NbOI3(g)
NbS
NbS(g)
NbS1.65
NbS2
NbSi2
Nb5Si3
Nd
Nd(g)
Nd(+4g)
Nd(+4a)
Nd(+3g)
Nd(+3a)
Nd(+2g)
Nd(+2a)
Nd(+g)
NdAl2
NdAl3Cl12
NdAl3Cl12(g)
NdAl4Cl15(g)
NdAsO4
Nd(AsO2)3
NdAu(g)
NdB6
Nd(BiO2)3
NdBr3
NdBr3(g)
NdBr3(ia)
Nd(BrO3)3(ia)
NdC2
NdC2(g)
Nd(CH3CO2)3(a)
NdCH3CO2(+2a)
Nd(CH3CO2)2(+a)
Nd(CH3COO)3(a)
NdCH3COO(+2a)
Nd(CH3COO)2(+a)
Nd(CHOO)3(ia)
Nd(CN)3(ia)
Nd2(CO3)3(ia)
Nd2(C2O4)3(ia)
NdCO3(+a)
Nd2(C2O4)3*10H2O
NdCl2
NdCl3
NdCl3(g)
NdCl3(a)
NdCl(+2a)
NdCl2(+a)
NdCl4(-a)
NdCl3*6H2O
Nd(ClO)3(ia)
Nd(ClO3)3(ia)
Nd(ClO4)3(ia)
Nd2(CrO4)3(ia)
Nd2(Cr2O7)3(ia)
NdF3
NdF3(g)
NdF3(a)
NdF(+2a)
NdF2(+a)
NdF4(-a)
NdFe(CN)6(a)
NdFeO3
NdGa
NdH2
NdHCO3(+2a)
NdH2PO4(+2a)
NdI3
NdI3(g)
NdI3(ia)
Nd(IO3)3
Nd(IO3)3(ia)
Nd(MnO4)3(ia)
Nd2(MoO4)3
Nd2(MoO4)3(ia)
NdN
Nd(NO2)3(ia)
Nd(NO3)3(ia)
NdNO3(+2a)
NdO(g)
Nd2O3
NdO(+a)
NdO2(-a)
NdOCl
Nd2O3*CuO
NdO2H(a)
Nd(OH)3
Nd(OH)3(ia)
NdOH(+2a)
Nd2O3*WO3
Nd2O3*2WO3
*3Nd2O3*WO3
*7Nd2O3*4WO3
Nd2O3*2ZrO2
NdPO4
NdPO4(ia)
Nd(PO3)3
NdPO4*2H2O
Nd2PdO4
Nd2Pd2O5
Nd4PdO7
Nd(ReO4)3
NdS
NdS(g)
Nd2S3
Nd2S3(ia)
Nd2(SO3)3(ia)
Nd2(SO4)3
NdSO4(+a)
Nd(SO4)2(-a)
Nd2(SO4)3*8H2O
NdSe
NdSe(g)
Nd2Se3
Nd2(SeO3)3(ia)
Nd2(SeO4)3(ia)
NdT e
NdT e(g)
Nd2T e3
Nd2(WO4)3
Nd2(WO4)3(a)
Ne(g)
Ne(a)
Ne(+g)
Ni
Ni(l)
Ni(g)
Ni(FCC)
Ni2(g)
Ni(+2g)
Ni(+2a)
Ni(+g)
Ni(-g)
NiAl
NiAl3
Ni2Al3
Ni3Al
NiAl2Cl8(g)
NiAl3Cl11(g)
NiAs
Ni5As2
Ni11As8
Ni(AsO2)2
Ni3(AsO4)2
NiB
Ni2B
Ni3B
Ni3.95B3.05
Ni4B3
Ni4.1B2.9
Ni(BiO2)2
NiBr(g)
NiBr2
NiBr2(g)
NiBr2(ia)
NiBr3(g)
Ni2Br4(g)
NiBr(+a)
Ni3C
Ni(C5H5)2
Ni(C5H5)2(g)
Ni(CH3CO2)2(ia)
Ni(CH3COO)2(a)
NiCH3COO(+a)
Ni(CH3COO)3(-a)
Ni(CH3NH2)6(+2a)
Ni(C2H4NO2)2(a)
Ni(C3H6NO2)2(a)
NiC2H4NO2(+a)
NiC3H6NO2(+a)
Ni(CHO2)2(a)
Ni(C2H3O3)2(a)
Ni(C3H5O2)2(a)
Ni(C3H5O3)2(a)
Ni(C4H7O2)2(a)
Ni(C5H9O2)2(a)
NiCHO2(+a)
Ni(CHO2)(+a)
NiC2H3O3(+a)
Ni(C3H5O2)(+a)
NiC3H5O3(+a)
Ni(C4H7O2)(+a)
NiC5H9O2(+a)
Ni(CN)2
Ni(CN)2(ia)
Ni(CN)4(-2a)
NiCNS(+a)
NiCO3
NiC2O4(a)
NiC2O4(ia)
Ni(CO)4
Ni(CO)4(l)
Ni(CO)4(g)
Ni(C2O4)2(-2a)
NiCl(g)
NiCl2
NiCl2(l)
NiCl2(g)
NiCl2(a)
NiCl3(g)
Ni2Cl4(g)
NiCl(+a)
NiCl2*2H2O
NiCl2*4H2O
NiCl2*6H2O
Ni(ClO3)2(ia)
Ni(ClO4)2(ia)
NiCrO4(ia)
NiCr2O7(ia)
NiF(g)
NiF2
NiF2(g)
NiF2(ia)
Ni2F4(g)
NiF(+a)
NiFe2Cl8
NiFe2Cl8(g)
NiFe2O4
NiGaCl5(g)
NiGa2Cl8(g)
Ni2Ge
NiH0.5
NiH0.59
NiH0.68
NiH(g)
NiI(g)
NiI2
NiI2(g)
NiI2(ia)
NiI3(g)
Ni2I4(g)
Ni(IO3)2
Ni(IO3)2*2H2O
NiMn2O4
Ni(MnO4)2(ia)
NiMoO4
NiMoO4(ia)
Ni3N
NiNH3(+2a)
Ni(NH3)2(+2a)
Ni(NH3)3(+2a)
Ni(NH3)4(+2a)
Ni(NH3)5(+2a)
Ni(NH3)6(+2a)
Ni(NH3)2I2
Ni(NH3)4I2
Ni(NO3)2
Ni(NO3)2(ia)
Ni(NO3)2*6H2O
NiO
NiO(l)
NiO(g)
NiO(a)
NiO2(-2a)
NiO*Al2O3
NiO*Cr2O3
NiO*Fe2O3
NiOH(g)
Ni(OH)2
Ni(OH)2(g)
Ni(OH)2(ia)
Ni(OH)3
NiOH(+a)
Ni(OH)3(-a)
Ni2OH(+3a)
Ni4(OH)4(+4a)
NiO*OH
*2NiO*SiO2
NiO*WO3
NiP2
NiP3
Ni2P
Ni3P
Ni5P2
Ni6P5
Ni3(PO4)2(ia)
NiP2O7(-2a)
Ni(P2O7)2(-6a)
NiS0.84
NiS
NiS(g)
NiS(A)
NiS2
Ni3S2
Ni3S2(l)
Ni3S4
Ni9S8
Ni(SCN)2(ia)
NiSO4
NiSO4(a)
NiSO4(ia)
NiSO4*H2O
NiSO4*4H2O
NiSO4*6H2O
NiSO4*7H2O
NiSb
NiSe
NiSe1.05
NiSe1.052
NiSe1.143
NiSe1.25
NiSe1.43
NiSe2
NiSeO3
NiSeO4(a)
NiSeO3*2H2O
Ni0.35Si0.65
NiSi
NiSi2
Ni1.04Si1.93
Ni2Si
Ni2Si(l)
Ni7Si13
Ni3Sn
Ni3Sn2
Ni3Sn4
Ni0.667T e
Ni0.909T e
NiT e
NiT e1.1
NiT e1.5
NiT e2
Ni2T e3
NiT i
NiT i2
Ni3T i
NiT iO3
NiT i2O5
Ni2T iO4
NiU3O10
Ni3(VO4)2
Ni4W
NiZnT iO4
Np
Np(g)
Np(+4a)
Np(+3a)
NpBr3
NpBr4
NpC0.91
Np2C3
Np2(C2O4)3(ia)
Np(CO3)5(-6a)
NpCl3
NpCl3(g)
NpCl3(ia)
NpCl4
NpCl4(g)
NpCl5
NpCl(+3a)
NpCl2(+2a)
Np(ClO4)3(ia)
NpF(g)
NpF2(g)
NpF3
NpF3(g)
NpF4
NpF4(g)
NpF5
NpF5(g)
NpF6
NpF6(g)
NpF(+3a)
NpH2
Np(HP O4)2
Np(HP O4)2(a)
Np(H2P O4)3(a)
NpHP O4(+2a)
NpH2P O4(+2a)
Np(H2P O4)2(+a)
Np(HP O4)4(-4a)
Np(HP O4)5(-6a)
NpI3
NpN
Np(NO3)3(ia)
NpO(g)
NpO2
Np2O5
NpO2(+2a)
NpO2(+a)
NpOBr2
NpO2Br(ia)
NpO2Br2(ia)
NpO2(CH3COO)2(ia)
NpO2CHOO(ia)
NpO2(CHOO)2(ia)
NpO2CN(ia)
NpO2(CN)2(ia)
NpO2(CO3)(a)
NpO2C2O4(ia)
(NpO2)2CO3(ia)
(NpO2)2C2O4(ia)
NpO2(CO3)(-a)
NpO2(CO3)2(-2a)
NpO2(CO3)2(-3a)
NpO2(CO3)3(-4a)
NpO2(CO3)3(-5a)
NpOCl2
NpO2Cl(a)
NpO2Cl2(a)
NpO2ClO3(ia)
NpO2ClO4(ia)
NpO2(ClO3)2(ia)
NpO2(ClO4)2(ia)
NpO2CrO4(ia)
NpO2Cr2O7(ia)
(NpO2)2CrO4(ia)
(NpO2)2Cr2O7(ia)
NpO2F(a)
NpO2F2
NpO2F2(a)
NpO2F(+a)
Np(OH)4
Np(OH)4(a)
NpOH(+3a)
NpOH(+2a)
Np(OH)2(+2a)
Np(OH)3(+a)
Np(OH)5(-a)
NpO3*H2O
NpO2HP O4(a)
NpO2H2P O4(a)
NpO2HP O4(-a)
NpO2H2P O4(+a)
NpO2I(ia)
NpO2(I)2(ia)
NpO2MnO4(ia)
NpO2(MnO4)2(ia)
NpO2NO2(ia)
NpO2NO3(ia)
NpO2(NO2)2(ia)
NpO2(NO3)2(ia)
NpO2(NO3)2*6H2O
NpO2(OH)(a)
NpO2(OH)(am)
NpO2(OH)(ama)
NpO2(OH)(amf)
NpO2(OH)2
NpO2(OH)2(ia)
NpO2OH(+a)
NpO2(OH)2(-a)
(NpO2)2(OH)2(+2a)
(NpO2)3(OH)5(+a)
(NpO2)3P O4(ia)
(NpO2)3(P O4)2(ia)
NpO2SO3(ia)
NpO2SO4(a)
(NpO2)2SO3(ia)
(NpO2)2SO4(ia)
NpO2SO4(-a)
NpO2(SO4)2(-2a)
Np(SCN)(+3a)
NpSCN(+3a)
Np(SCN)2(+2a)
Np(SCN)3(+a)
Np(SO4)2(a)
Np2(SO4)3(ia)
NpSO4(+2a)
O(g)
O2(g)
O2(a)
O2(0.01bar)
O2(0.01barg)
O2(0.05bar)
O2(0.05barg)
O2(0.1bar)
O2(0.1barg)
O2(0.5bar)
O2(0.5barg)
O2(100bar)
O2(10bar)
O2(10barg)
O2(1bar)
O2(1barg)
O2(200bar)
O2(20bar)
O2(20barg)
O2(300bar)
O2(30bar)
O2(30barg)
O2(400bar)
O2(40bar)
O2(40barg)
O2(45bar)
O2(45barg)
O2(500bar)
O2(5bar)
O2(5barg)
O2(600bar)
O2(60bar)
O2(700bar)
O2(70bar)
O2(800bar)
O2(80bar)
O2(90bar)
O3(g)
O3(a)
O(+g)
O(-g)
O(-a)
O(-2g)
O2(+g)
O2(-g)
O2(-a)
O2(-2g)
O2(-2a)
O2(-3a)
OAlF2(-g)
OAlH(g)
OAlOH(g)
OBF2(g)
O(BF2)2(g)
O(BeF)2(g)
OBrO(g)
OCN(-a)
OClO(g)
OD(g)
OF(g)
OF2
OF2(g)
O2F(g)
O2F2(g)
OFO(g)
OH(g)
OH(a)
OH(+g)
OH(-g)
OH(-a)
OIO(g)
OSF2(g)
OT iF(g)
Os
Os(g)
Os(+g)
OsAs2
Os(CO)5(g)
Os3(CO)12
OsCl2
OsCl3
OsCl4
OsF2
OsF3
OsF3(g)
OsF4
OsF6
OsF6(g)
OsO(g)
OsO2
OsO2(g)
OsO3
OsO3(g)
OsO4
OsO4(g)
OsO4(a)
OsO4(W)
OsP 2
OsS2
OsSe2
OsT e2
P
P (g)
P (B)
P (R)
P (RIV)
P 2(g)
P 3(g)
P 4(g)
P (+g)
P (-g)
P Br(g)
P Br3(l)
P Br3(g)
P Br3S(g)
P Cl(g)
P Cl2(g)
P Cl3(l)
P Cl3(g)
P Cl4
P Cl5
P Cl5(g)
P Cl2(-g)
P ClBr2(g)
P Cl2Br(g)
P ClF4(g)
P D(g)
P D3(g)
P D(H3)2(T g)
P D2(H3)(T g)
P DO(g)
P F(g)
P F2(g)
P F3(g)
P F5(g)
P F(+g)
P F(-g)
P F2(+g)
P F2(-g)
P FBr2(g)
P F2Br(g)
P FCl(g)
P FCl2(g)
P FCl4(g)
P F2Cl(g)
P F2Cl3(g)
P F3Cl2(g)
P FCl(-g)
P H(g)
P H2(g)
P H3(g)
P H3(a)
P (H3)3(T g)
P 2H4(l)
P 4H2
P H2(-g)
P H4(+g)
P H4Br
P HD2(g)
P H2D(g)
P HD(H3)(T g)
P H(H3)2(T g)
P H2(H3)(T g)
P H4I
P H4OH(a)
P I3
P I3(g)
P 2I4
P N(g)
P 3N5
P O(g)
P O2
P O2(g)
P 2O3(l)
P 2O3(g)
P 2O4(g)
P 2O5
P 2O5(l)
P 2O5(g)
P 3O6(g)
P 4O6(l)
P 4O6(g)
P 4O7(g)
P 4O8
P 4O8(g)
P 4O9(g)
P 4O10
P 4O10(g)
P 4O10(H)
P 4O10(O)
P O(-g)
P O2(-g)
P O4(-3a)
P 2O7(-4a)
P OBr(g)
P OBr3(l)
P OBr3(g)
P OCl3
P OCl3(g)
P OClF2(g)
P OCl2F(g)
P OF3(g)
P S(g)
P 2S3
P 2S3(g)
P 2S5
P 4S3
P 4S3(g)
P 4S4(g)
P 4S5
P 4S5(g)
P 4S6
P 4S7
P 4S7(g)
P 4S10
P 5S3(g)
P SBr3(g)
P SCl3(g)
P SF(g)
P SF3(g)
Pa
P a(g)
P a(+4a)
P a(+3a)
P a(+2a)
P a(+g)
P aBr3(ia)
P aBr4
P aBr5
P aBr5(l)
P a2(C2O4)3(ia)
P aCl3
P aCl3(ia)
P aCl4
P aCl5
P aCl5(g)
P aCl2O
P a(ClO4)3(ia)
P aF3
P aF3(ia)
P aF4
P aF4(g)
P aF5
P aI3(ia)
P aI4
P a(NO3)3(ia)
P aO2
P a2O5
P aOBr2
P aOCl2
P a(OH)3(ia)
P aOOH(+2a)
P a2(SO4)3(ia)
Pb
P b(l)
P b(g)
P b2(g)
P b(+4g)
P b(+2a)
P b(+2g)
P b(+2a)
P b(+g)
P b(-g)
P b(AlO2)2(ia)
P b3(AsO4)2
P b3(AsO4)2(ia)
P bB2O4
P bB4O7
P bB6O10
P b2B10O17
P bBr(g)
P bBr2
P bBr2(g)
P bBr2(ia)
P bBr3(g)
P bBr4(g)
P b(BrO3)2(ia)
P b3Br2O2
P b4Br2O3
P b(CH3)4(g)
P b(C2H5)4(l)
P b(C2H5)4(g)
P b(C2H5)4(A)
P b(C2H5)4(B)
P b(CH3CO2)2
P b(CH3CO2)2(ia)
P b(CH3COO)3(-a)
P b(C2H4NO2)2(a)
P b(C3H6NO2)2(a)
P bC2H4NO2(+a)
P bC3H6NO2(+a)
P b(CHO2)2(a)
P b(C2H3O3)2(a)
P b(C3H5O2)2(a)
P b(C3H5O3)2(a)
P b(C4H7O2)2(a)
P b(C5H9O2)2(a)
P bCHO2(+a)
P b(CHO2)(+a)
P bC2H3O3(+a)
P b(C3H5O2)(+a)
P bC3H5O3(+a)
P b(C4H7O2)(+a)
P bC5H9O2(+a)
P b(CHOO)2(ia)
P bCI(+a)
P b(CN)2(ia)
P bCO3
P bCO3(ia)
P bC2O4
P bC2O4(ia)
P bCa2Si3O9
P b8CaSi6O21
P bCl(g)
P bCl2
P bCl2(g)
P bCl2(a)
P bCl3(g)
P bCl3(a)
P bCl4(l)
P bCl4(g)
P bCl(+g)
P bCl(+a)
P bCl2(+g)
P bCl3(-a)
P bCl4(-a)
(P bCl2)2*NH4Cl
P b(ClO)2(ia)
P b(ClO2)2(ia)
P b(ClO3)2(ia)
P b(ClO4)2
P b(ClO4)2(ia)
P b3Cl2O2
P bCrO4
P bD(g)
P bF(g)
P bF2
P bF2(g)
P bF2(a)
P bF2(A)
P bF2(B)
P bF3(g)
P bF4
P bF4(g)
P bF(+a)
P b2Fe(CN)6*3H2O
P bGa2S4
P b2Ga2S5
P b2Ga6S11
P b4Ga6S13
P bH(g)
P b(H3)(T g)
P bHAsO4(ia)
P b(H2AsO4)2(ia)
P b(HCO2)2
P b(HCO3)2(ia)
P b(HC2O4)2(ia)
P b(HO2)2(ia)
P bHP O3
P bHP O4(ia)
P bH2P 2O7(ia)
P b(HP 2O7)2(ia)
P b(H2P O4)2(ia)
P b3(H3P 2O7)2(ia)
P b(HS)2(a)
P b(HS)3(-a)
P b(HSO3)2(ia)
P b(HSO4)2(ia)
P b(HSiF6)2(ia)
P b(HT eO3)2(ia)
P bI(g)
P bI2
P bI2(g)
P bI2(ia)
P bI3(g)
P bI4(g)
P b(I3)2(ia)
P b2I4(g)
P b(IO3)2(ia)
P bIn2S4
P bMoO4
P bMoO4(ia)
P b(N3)2
P b(NO2)2(ia)
P b(NO3)2
P b(NO3)2(ia)
P bO
P bO(l)
P bO(g)
P bO(a)
P bO(R)
P bO2
P bO2(g)
P b2O3
P b2O3(g)
P b3O4
P b12O17
P b12O19
P b(OCN)2(ia)
P b(OH)2
P b(OH)2(ia)
P bOH(+a)
P b3(OH)4(+2a)
P b4(OH)4(+4a)
P b6(OH)8(+4a)
P b(OH)NO3
P b(OH)O(-a)
P bO*P bCO3
*2P bO*P bCO3
P bO*P bSO4
*2P bO*P bSO4
*3P bO*P bSO4
*4P bO*P bSO4
P bO*T iO2
P bO*WO3
P bO*ZrO2
P bP Cl
P b2P 2O7(ia)
P b3(P O4)2
P b3(P O4)2(ia)
P b(ReO4)2*2H2O
P bS
P bS(l)
P bS(g)
P bS(ia)
P bS2(g)
P b2S2(g)
P b(SCN)2(ia)
P bSO3(ia)
P bSO4
P bSO4(ia)
P bS2O3
P bS2O3(ia)
P bS3O6
P bS2SiO4
P bSe
P bSe(g)
P bSe(ia)
P b2Se2(g)
P bSeO3
P bSeO4
P bSiF6(ia)
P bSiO3
P bSiO3(A)
P bSiO4
P b2SiO4
P b4SiO6
P b5Si3O11
P bT e
P bT e(g)
P bT eO3(ia)
P b2T iO4
P b(UO2)2(P O4)2
P b(VO3)2
P b(VO3)2(ia)
P b2V2O7
P b3(VO4)2
P bWO4(a)
Pd
P d(g)
P d(+2a)
P d(+g)
P dAl2Cl8(g)
P dBr2
P dBr2(g)
P dBr2(ia)
P dBr3(-a)
P dBr4(-2a)
P d(CN)4(-2a)
P d(CN)5(-3a)
P d(CNS)4(-2a)
P dCl2
P dCl2(g)
P dCl2(ia)
P dCl(+a)
P dCl3(-a)
P dCl4(-2a)
P dCl6(-2a)
P dCl3(C2H4)(-a)
P dCl2(H2O)(C2H4)(a)
P d(ClO4)2(ia)
P dF2
P d2H
P dHg4
P d2Hg5
P dI2
P dI2(ia)
P d(NH3)4Cl2
P d(NO3)2(ia)
P d(NO2)4(-2a)
P dO
P dO(g)
P d(OH)2
P d(OH)2(a)
P d(OH)4
P dOH(+a)
P dS
P dS2
P d4S
P dSO4(ia)
P dSe0.89
P dSe
P dSe2
P d4Se
P dSi
P d2Si
P d3Si
P d5Si
P dT e
P dT e2
Pm
P m(g)
P m(+4a)
P m(+3g)
P m(+3a)
P m(+2g)
P m(+2a)
P m(+g)
P m(AsO2)3
P m(BiO2)3
P mBr3
P mBr3(ia)
P m(CH3COO)3(a)
P m(CH3COO)3(ia)
P mCH3COO(+2a)
P m(CH3COO)2(+a)
P mCl3
P mCl3(ia)
P m(ClO4)3(ia)
P mF3
P mF3(ia)
P mI3
P mI3(ia)
P m(NO3)3(ia)
P mO(g)
P m2O3
P m(OH)3(ia)
P mS
P m2S3
P m2(SO4)3(ia)
P mSO4(+a)
P m(SO4)2(-a)
P mSe
P m2Se3
P mT e
P m2T e3
Po
P o(g)
P o2(g)
P o(+2g)
P o(+2a)
P o(+g)
P oBr2
P oBr4
P oCl2
P oCl4
P oF6(l)
P oO2
Pr
P r(g)
P r(+4g)
P r(+4a)
P r(+3g)
P r(+3a)
P r(+2g)
P r(+2a)
P rAl2
P rAl3Cl12(g)
P r(AsO2)3
P rAu(g)
P rBi
P r(BiO2)3
P rBr3
P rBr3(g)
P rBr3(ia)
P r(BrO3)3
P rC2
P rC2(g)
P rCH3CO2(+2a)
P r(CH3CO2)2(+a)
P r(CH3COO)3(a)
P r(CH3COO)(+2a)
P r(CH3COO)2(+a)
P r(CHOO)3(ia)
P r(CN)3(ia)
P r2(CO3)3(ia)
P r2(C2O4)3(ia)
P rCO3(+a)
P rCd11
P rCl2
P rCl3
P rCl3(g)
P rCl3(a)
P rCl(+2a)
P rCl2(+a)
P rCl4(-a)
P rCl3*6H2O
P rCl3*7H2O
P rClO
P r(ClO3)3(ia)
P r(ClO4)3(ia)
P r2(CrO4)3(ia)
P r2(Cr2O7)3(ia)
P rF3
P rF3(g)
P rF3(a)
P rF4
P rF(+2a)
P rF2(+a)
P rF4(-a)
P rFe(CN)6(a)
P rFeO3
P rH2
P rHCO3(+2a)
P rH2PO4(+2a)
P rI3
P rI3(g)
P rI3(ia)
P r(IO3)3
P r(IO3)3(ia)
P rIn3
P r(MnO4)3(ia)
P rN
P r(NO2)3(ia)
P r(NO3)3(ia)
P rNO3(+2a)
P rO(g)
P rO1.72
P rO1.833
P rO2
P r2O3
P r6O11
P r7O12
P r12O22
P rO(+a)
P rO2(-a)
P rO2H(a)
P r(OH)3
P r(OH)3(ia)
P rOH(+2a)
P rPO4(ia)
P rPO4*2H2O
P rS
P rS(g)
P r2S3
P r3S4
P r2(SO3)3
P r2(SO3)3(ia)
P r2(SO4)3(ia)
P rSO4(+a)
P r(SO4)2(-a)
P r2(SO4)3*8H2O
P rSb
P rSe
P rSe(g)
P r2Se3
P r2(SeO3)3(ia)
P r2(SeO4)3(ia)
P rT e
P rT e(g)
P r2T e3
P r2(T eO3)3
P r2(T eO3)3(ia)
P r2(WO4)3
P rZn
P rZn2
P rZn3
P rZn11
P r2Zn17
P r3Zn11
P r3Zn22
P r13Zn58
Pt
P t(g)
P t(+g)
P tAl2Cl8(g)
P tAs2
P tBr
P tBr2
P tBr3
P tBr4
P tBr4(-2a)
P tBr6(-2a)
P tC(g)
P tCl
P tCl2
P tCl2(g)
P tCl3
P tCl3(g)
P tCl4
(P tCl2)6(g)
P tCl4(-2a)
P tCl6(-2a)
P tCl4*5H2O
P tD(g)
P tF4(g)
P tF6(g)
P tH(g)
P tHg4
P tI2
P tI4
P tI6(-2a)
P t(NH3)4(+2a)
P t(NH3)2Br2
P t(NH3)2Br2(C)
P t(NH3)4Cl2
P t(NH3)Cl3(-a)
P t(NH3)3Cl(+a)
P t(NH3)Cl2(H2O)(a)
P t(NH3)2I2
P t(NH3)2I2(C)
P t(NH3)4I2
P tO
P tO(g)
P tO2
P tO2(g)
P t3O4
P t(OH)2
P tS
P tS2
P tSe0.8
P tSe
P tSe2
P t5Se4
P tT e
P tT e2
Pu
P u(g)
P u(+4a)
P u(+3a)
P u(+g)
P uAs
P uBi
P uBi2
P uBr3
P uBr3(g)
P uBr3(ia)
P uBr4(ia)
P uC0.77
P uC0.82
P uC0.84
P uC0.88
P uC
P uC1.5
P uC2
P u2C3
P u3C2
P u(C2O4)2(ia)
P uCO3(+2a)
P uCl3
P uCl3(g)
P uCl3(ia)
P uCl4
P uCl4(g)
P uCl4(ia)
P uCl(+3a)
P uCl3*6H2O
P u(ClO4)3(ia)
P u(ClO4)4(ia)
P uF(g)
P uF2(g)
P uF3
P uF3(g)
P uF3(ia)
P uF4
P uF4(g)
P uF4(ia)
P uF6
P uF6(g)
P uF(+3a)
P uF2(+2a)
P uH2
P uH3
P u(HP O4)2
P uI3
P uI3(g)
P uI3(ia)
P uI4(ia)
P uN
P u(NO3)3(ia)
P u(NO3)4(ia)
P uO
P uO(g)
P uO1.5
P uO1.515
P uO1.61
P uO2
P uO2(g)
P u2O3
P u2O3(B)
P uO(+g)
P uO2(+2a)
P uO2(+a)
P uO2(+g)
P uO2(+a)
P uO2(-g)
P uOBr
P uO2Br(ia)
P uO2(Br)2(ia)
P uO2CH3COO(ia)
P uO2(CH3COO)2(ia)
P uO2CHOO(ia)
P uO2(CHOO)2(ia)
P uO2CN(ia)
P uO2(CN)2(ia)
P uO2CO3(ia)
P uO2C2O4(ia)
(P uO2)2CO3(ia)
(P uO2)2C2O4(ia)
P uO2(CO3)2(-2a)
P uO2(CO3)3(-4a)
P uO2(CO3)3(-5a)
P uOCl
P uO2Cl(ia)
P uO2Cl2(ia)
P uO2Cl(+a)
P uO2ClO3(ia)
P uO2ClO4(ia)
P uO2(ClO3)2(ia)
P uO2(ClO4)2(ia)
P uO2CrO4(ia)
P uO2Cr2O7(ia)
(P uO2)2CrO4(ia)
(P uO2)2Cr2O7(ia)
P uOF
P uO2F(ia)
P uO2F2(a)
P uO2F(+a)
P uO2F3(-a)
P uO2F4(-2a)
P u(OH)3
P u(OH)3(ia)
P u(OH)4(a)
P u(OH)4(am)
P uOH(+3a)
P uOH(+2a)
P u(OH)2(+2a)
P u(OH)3(+a)
P u(OH)5(-a)
P uO2HP O4
P uOI
P uO2(I)(ia)
P uO2(I)2(ia)
P uO2MnO4(ia)
P uO2(MnO4)2(ia)
P uO2NO2(ia)
P uO2NO3(ia)
P uO2(NO2)2(ia)
P uO2(NO3)2(ia)
P uO2OH
P uO2(OH)(a)
P uO2(OH)(am)
P uO2(OH)2
P uO2(OH)2(ia)
P uO2OH(+a)
(P uO2)3(OH)5(+a)
P uO2(OH)2*H2O
(P uO2)3P O4(ia)
(P uO2)3(P O4)2(ia)
P uO2SO3(ia)
P uO2SO4(a)
(P uO2)2SO3(ia)
(P uO2)2SO4(ia)
P uO2(SO4)2(-2a)
P uP
P uS
P uS1.5
P u2S3
P uSCN(+2a)
P u(SO4)2
P u(SO4)2(ia)
P u2(SO4)3(ia)
P uSO4(+2a)
P uSO4(+a)
P u(SO4)2(-a)
P uSb
Ra
Ra(g)
Ra(+2g)
Ra(+2a)
Ra(+g)
RaBr2
RaBr2(g)
RaBr2(a)
RaBr2*2H2O
Ra(BrO3)2
Ra(BrO3)2(ia)
Ra(BrO3)2*H2O
Ra(CH3COO)2(a)
Ra(CH3COO)(+a)
RaCO3
RaCO3(a)
RaCO3(ia)
RaCl(g)
RaCl2
RaCl2(ia)
RaCl2*2H2O
Ra(ClO3)2
Ra(ClO3)2(ia)
Ra(ClO4)2
Ra(ClO4)2(a)
RaCrO4
RaF(g)
RaF2
RaF2(ia)
RaH(g)
RaH2
RaI2
RaI2(g)
RaI2(a)
RaI2*0.5H2O
Ra(IO3)2
Ra(IO3)2(ia)
Ra(IO3)2*H2O
RaMoO4
Ra(N3)2
Ra(NO3)2
Ra(NO3)2(ia)
RaO
RaO2
Ra(OH)2
Ra(OH)2(a)
RaOH(+a)
RaS
RaSO3
RaSO4
RaSO4(ia)
RaSe
RaSeO3
RaSeO4
RaSiO3
Ra2SiO4
RaT iO3
Ra2T iO4
RaWO4
RaZrO3
Rb
Rb(g)
Rb2(g)
Rb(+a)
Rb(+g)
Rb(+a)
Rb(-g)
RbAg(CN)2(ia)
RbAgCl2(ia)
RbAg4I5
Rb2AgI3
Rb2AgI3(ia)
RbAlF4(g)
RbAlO2(ia)
RbAl(OH)4(ia)
RbAl(SO4)2
RbAl(SO4)2*12H2O
RbAsO2
RbAsO2(ia)
RbAs3O8
Rb2As4O11
Rb3AsO4
Rb3AsO4(ia)
RbAuBr2(ia)
RbAuBr4(ia)
RbAu(CN)2(ia)
RbAuCl4(ia)
RbBF4
RbBF4(l)
RbBF4(ia)
RbBF3OH(ia)
RbBH4(ia)
RbBO2
RbBO2(g)
RbBO2(ia)
RbBO3
Rb2B2O4
RbB(OH)4(ia)
RbBeF3(g)
Rb2BeO2(ia)
RbBi2
Rb3Bi
Rb3Bi2
Rb5Bi4
RbBiO2
RbBr
RbBr(g)
RbBr(a)
RbBr3(ia)
RbBr5(ia)
Rb2Br2(g)
RbBr2Cl(ia)
RbBrI2(ia)
RbBrO(ia)
RbBrO3
RbBrO3(ia)
RbBrO4(ia)
RbCH3COO(a)
Rb(CH3COO)2(-a)
RbCN
RbCN(ia)
RbCNO(ia)
RbCNS(ia)
Rb2CO3
Rb2CO3(ia)
Rb2C2O4(ia)
Rb2CO3*H2O
Rb2CO3*1.5H2O
Rb2CO3*3.5H2O
Rb2Cd(CN)4(ia)
RbCdCl3(ia)
Rb2CdI4(ia)
RbCl
RbCl(g)
RbCl(a)
Rb2Cl2(g)
RbCl*MgCl2
*2RbCl*MgCl2
*3RbCl*2MgCl2
RbClO(ia)
RbClO2(ia)
RbClO3
RbClO3(ia)
RbClO4
RbClO4(ia)
Rb2Co(C2O4)2(ia)
Rb2CrO4
Rb2CrO4(l)
Rb2CrO4(ia)
Rb2Cr2O7
Rb2Cr2O7(ia)
Rb3Cu(CNS)4(ia)
Rb2Cu(C2O4)2(ia)
RbF
RbF(g)
RbF(a)
Rb2F2(g)
RbF*H2O
*2RbF*3H2O
Rb3Fe(CN)6(ia)
Rb4Fe(CN)6(ia)
RbGaBr4(ia)
RbGd(CrO4)2
RbH
RbH(g)
RbH2AsO3(ia)
RbH2AsO4(ia)
Rb2HAsO4(ia)
RbHCO3
RbHCO3(ia)
RbHC2O4(ia)
RbHCrO4(ia)
RbHF2
RbHF2(ia)
Rb2H2Fe(CN)6(ia)
Rb3HFe(CN)6(ia)
RbHO2(ia)
RbH2P O4
RbH2P O4(ia)
RbH3P 2O7(ia)
Rb2HP O4
Rb2HP O4(ia)
Rb2H2P 2O7
Rb2H2P 2O7(ia)
Rb3HP 2O7
Rb3HP 2O7(ia)
Rb3H2P 3O10
RbHS(ia)
RbHSO3(ia)
RbHSO4
RbHSO4(ia)
RbHSe(ia)
RbHSeO3(ia)
RbHSeO4(ia)
RbH2VO4(ia)
Rb5HV10O28(ia)
RbHgBr3(ia)
Rb2HgBr4(ia)
RbHg(CN)3(ia)
Rb2Hg(CN)4(ia)
Rb2Hg(CNS)4(ia)
RbHgCl3(ia)
Rb2HgCl4(ia)
RbHgI3(ia)
Rb2HgI4(ia)
RbI
RbI(g)
RbI(a)
RbI3
RbI3(ia)
Rb2I2(g)
RbI2Cl(ia)
RbIO
RbIO(ia)
RbIO3(ia)
RbIO4(ia)
RbK(g)
RbLi(g)
Rb2MgP2O7(ia)
Rb2Mn(C2O4)2(ia)
RbMnCl3
RbMnO4(ia)
Rb2MnO4
Rb2MnO4(ia)
Rb2MoO4
Rb2MoO4(ia)
Rb2Mo2O7
RbN3
RbN3(ia)
RbNO2
RbNO2(g)
RbNO2(ia)
RbNO3
RbNO3(g)
RbNO3(ia)
RbNa(g)
RbNbO3
RbNbO3(ia)
Rb2Ni(CN)4(ia)
RbO(g)
RbO2
RbO3
Rb2O
Rb2O(g)
Rb2O2
Rb2O2(g)
Rb2O3
RbOH
RbOH(g)
RbOH(a)
Rb2O2H2(g)
RbOH*H2O
RbOH*2H2O
Rb3P 7
RbP F6
RbP O3
Rb3P O4(ia)
Rb4P 2O7
Rb4P 2O7(ia)
Rb5P 3O10
Rb2P dBr4(ia)
Rb2P dCl4(ia)
Rb2P tBr4(ia)
Rb2P tBr6(ia)
Rb2P tCl4(ia)
Rb2P tCl6(ia)
Rb2P tI6(ia)
RbP tNH3Cl3(ia)
Rb2ReCl6(ia)
RbReO4(ia)
Rb2S
Rb2S(ia)
Rb2S2(ia)
Rb2S3(ia)
Rb2S4(ia)
Rb2S5(ia)
Rb2SO3(ia)
Rb2SO4
Rb2SO4(g)
Rb2SO4(ia)
Rb2S2O3(ia)
Rb2S2O8(a)
Rb2S4O6(ia)
RbS2O8(-a)
RbSb
RbSb2
Rb3Sb
Rb3Sb7
Rb5Sb4
Rb2Sb2S4(ia)
RbScCl4(g)
Rb2Se
Rb2Se(ia)
Rb2SeO3
Rb2SeO3(ia)
Rb2SeO4
Rb2SeO4(ia)
Rb2SiF6(ia)
Rb2SiO3
Rb2Si2O5
Rb2Si4O9
Rb2SnCl6
RbT aO3
Rb2T eO3(ia)
RbUF6
Rb2UO4
RbVO3(ia)
Rb2WO4(ia)
Rb2Zn(CN)4(ia)
Rb2Zn(C2O4)2(ia)
Rb2ZrO3
Re
Re(g)
Re(+g)
Re(-a)
Re3As7
ReAsO4
ReBr3
ReBr3(g)
ReBr5(g)
Re3Br9(g)
Re2(CO)10
Re(CO)5Br(g)
Re(CO)5Cl(g)
Re(CO)5I(g)
ReCl3
ReCl3(g)
ReCl4
ReCl5
ReCl5(g)
Re3Cl9(g)
ReCl6(-2a)
ReF3
ReF4
ReF4(g)
ReF5
ReF6(l)
ReF6(g)
ReF7(g)
ReI3(g)
ReO(g)
ReO2
ReO2(g)
ReO3
ReO3(g)
ReO4
Re2O3
Re2O6(g)
Re2O7
Re2O7(g)
ReO4(-a)
ReO3Br(g)
ReOCl4(g)
ReO2*2H2O
ReO3I(g)
ReS2
ReS3
Re2S7
ReSe2
Re2Se7
ReSi
ReSi2
Re5Si3
ReT e2
Re2T e5
Rh
Rh(g)
Rh(+3a)
Rh(+g)
RhBr3
RhC(g)
RhCl
RhCl2
RhCl2(g)
RhCl3
RhCl3(g)
RhCl4(g)
RhCl6(-3a)
RhF2
RhF3
RhF4
RhF4(g)
RhO
RhO(g)
RhO2(g)
Rh2O
Rh2O3
RhS0.889
RhS1.875
RhS2.3
Rh2S3
Rh3S4
RhSe2
RhT e
RhT e2
Rh3U
Rn(g)
Rn(a)
Rn(+g)
Ru
Ru(g)
Ru(+g)
RuBr3
Ru(CO)5(g)
RuCl3
RuCl3(g)
RuCl3(A)
RuCl4(g)
RuF(g)
RuF2(g)
RuF3
RuF3(g)
RuF4
RuF4(g)
RuF5
RuF5(g)
RuI3
RuO(g)
RuO2
RuO2(g)
RuO3(g)
RuO4
RuO4(l)
RuO4(g)
RuO4(a)
RuO4(-2a)
RuS2
RuSe2
RuT e2
S
S(l)
S(g)
S(M)
S2(g)
S3(g)
S4(g)
S5(g)
S6(g)
S7(g)
S8(g)
S(+g)
S(-g)
S(-2a)
S2(-g)
S2(-2a)
S3(-2a)
S4(-2a)
S5(-2a)
S6(-2a)
SBr2(g)
S2Br2(l)
S2Br2(g)
SBrF5(g)
SCl(g)
SCl2(l)
SCl2(g)
S2Cl(g)
S2Cl2(l)
S2Cl2(g)
SCl(+g)
SCl2(+g)
SClF5(g)
SF(g)
SF2(g)
SF3(g)
SF4(g)
SF5(g)
SF6
SF6(g)
SF6(a)
SF6(ia)
S2F2(g)
S2F2(Jg)
S2F2(Pg)
S2F10
S2F10(g)
SF(+g)
SF(-g)
SF2(+g)
SF2(-g)
SF3(+g)
SF3(-g)
SF4(+g)
SF4(-g)
SF5(+g)
SF5(-g)
SF6(-g)
SF2Cl(g)
SF5Cl
S(H3)(T g)
SH(-g)
SN(g)
SO(g)
SO2(g)
SO2(a)
SO2(0.01barg)
SO2(0.05bar)
SO2(0.05barg)
SO2(0.1bar)
SO2(0.1barg)
SO2(0.5bar)
SO2(0.5barg)
SO2(100bar)
SO2(10bar)
SO2(10barg)
SO2(1bar)
SO2(1barg)
SO2(200bar)
SO2(20bar)
SO2(20barg)
SO2(250bar)
SO2(300bar)
SO2(30bar)
SO2(30barg)
SO2(350bar)
SO2(40bar)
SO2(40barg)
SO2(50bar)
SO2(50barg)
SO2(5bar)
SO2(5barg)
SO2(60bar)
SO2(60barg)
SO2(70bar)
SO2(70barg)
SO2(80bar)
SO2(90bar)
SO3(l)
SO3(g)
SO3(a)
SO3(B)
SO3(G)
S2O(g)
SO(-g)
SO2(-g)
SO3(-2a)
SO4(-2g)
SO4(-2a)
S2O3(-2a)
S2O4(-2a)
S2O5(-2a)
S2O6(-2a)
S2O7(-2a)
S2O8(-2a)
S3O3(-2a)
S3O6(-2a)
S4O3(-2a)
S4O6(-2a)
S5O3(-2a)
S5O6(-2a)
S6O3(-2a)
S6O6(-2a)
S7O3(-2a)
S7O6(-2a)
SOBr2(g)
SOCl(g)
SOCl2(l)
SOCl2(g)
SO2Cl2(l)
SO2Cl2(g)
SO2ClF(g)
SOF(g)
SOF2(g)
SOF4(g)
SO2F2(g)
SPCl3(g)
SSe(g)
ST e(g)
Sb
Sb(l)
Sb(g)
Sb2(g)
Sb3(g)
Sb4(g)
Sb(+g)
SbAs(g)
SbAs3(g)
Sb2As2(g)
Sb3As(g)
SbBr3
SbBr3(g)
SbCl(g)
SbCl3
SbCl3(g)
SbCl5(l)
SbCl5(g)
SbD3(g)
SbD(H3)2(T g)
SbD2(H3)(T g)
SbF(g)
SbF3
SbF3(g)
SbF5(l)
SbF5(g)
SbH(g)
SbH3(g)
Sb(H3)3(T g)
SbHD2(g)
SbH2D(g)
SbH(H3)2(T g)
SbH2(H3)(T g)
SbI3
SbI3(g)
SbN(g)
SbNbO4
SbO(g)
SbO2
SbO2(g)
Sb2O3
Sb2O3(l)
Sb2O3(O)
Sb2O4
Sb2O5
Sb4O6
Sb4O6(g)
Sb4O6(C)
SbO(+g)
SbO2(-a)
SbOCl
Sb(OH)3(a)
Sb(OH)4(-a)
SbP (g)
SbP 3(g)
SbS(g)
(SbS)2(g)
Sb2S3
Sb2S3(l)
Sb2S3(g)
Sb2S4(g)
Sb3S2(g)
(SbS)3(g)
Sb4S3(g)
(SbS)4(g)
Sb2S4(-2a)
Sb2(SO4)3
SbSe(g)
Sb2Se3
SbT e(g)
Sb2T e3
SbZn
Sc
Sc(g)
Sc2(g)
Sc(+3a)
Sc(+g)
ScAsO4
ScBr2(g)
ScBr3
ScBr3(g)
ScBr3(ia)
ScBr(+2a)
ScBr2(+a)
Sc(BrO3)3(ia)
ScBrO3(+2a)
Sc(BrO3)2(+a)
ScC2(g)
Sc(CH3COO)3(a)
Sc(CH3COO)(+2a)
Sc(CH3COO)2(+a)
Sc(CHOO)3(ia)
Sc(CN)3(ia)
Sc2(CO3)3(ia)
Sc2(C2O4)3(ia)
ScC2O4(+a)
Sc(C2O4)2(-2a)
ScCl(g)
ScCl2(g)
ScCl3
ScCl3(g)
ScCl3(ia)
Sc2Cl6(g)
ScCl(+2a)
ScCl2(+a)
ScCl3*6H2O
ScCl3*4NH3
ScCl3*5NH3
ScCl3*7NH3
Sc(ClO3)3(ia)
Sc(ClO4)3(ia)
ScClO3(+2a)
Sc(ClO3)2(+a)
Sc2(CrO4)3(ia)
Sc2(Cr2O7)3(ia)
ScF(g)
ScF2(g)
ScF3
ScF3(g)
ScF3(a)
ScF3(ia)
ScF(+2a)
ScF2(+a)
ScI2(g)
ScI3
ScI3(g)
ScI3(ia)
Sc2I6(g)
Sc(IO3)3(ia)
Sc(MnO4)3(ia)
Sc2(MoO4)3
Sc2(MoO4)3(ia)
ScN
Sc(NO2)3(ia)
Sc(NO3)3(ia)
ScO(g)
ScO2(g)
Sc2O(g)
Sc2O2(g)
Sc2O3
ScO(+g)
ScO(+a)
ScO2(-a)
Sc(OH)3
Sc(OH)3(ia)
ScOH(+2a)
(ScOH)2(+4a)
*3Sc2O3*WO3
ScP O4
ScP O4(ia)
Sc(P O3)3
ScP O4*2H2O
ScS
ScS(g)
Sc2S3
Sc2(SO3)3(ia)
Sc2(SO4)3(ia)
Sc(SO4)(+a)
Sc(SO4)2(-a)
ScSe
ScSe(g)
Sc2Se3
Sc2(SeO3)3(ia)
ScSeO4(+a)
Sc(SeO4)2(-a)
Sc5Si3
ScT e
ScT e(g)
Sc2T e3
Sc2(WO4)3
Sc2(WO4)3(ia)
Se
Se(g)
Se(A)
Se(M)
Se(R)
Se2(g)
Se3(g)
Se4(g)
Se5(g)
Se6(g)
Se7(g)
Se8(g)
Se(+g)
Se(-2a)
SeBr2(g)
SeBr4
Se2Br2(l)
Se2Br2(g)
Se(CH3)2
Se(CH3)2(g)
Se2(CH3)2
SeCN(-a)
SeCl(l)
SeCl2(g)
SeCl4
SeCl4(g)
Se2Cl2
Se2Cl2(g)
SeF(g)
SeF2(g)
SeF4(l)
SeF4(g)
SeF5(g)
SeF6(g)
SeH(g)
SeO(g)
SeO2
SeO2(g)
SeO2(a)
SeO3
Se2O5
SeO3(-2a)
SeO4(-2g)
SeO4(-2a)
SeOBr2
SeOBr2(g)
SeOCl2
SeT e(g)
Si
Si(g)
Si2(g)
Si3(g)
Si4(g)
Si(+4g)
Si(+g)
Si(-g)
SiB14
Si2Bi2O5
SiBr(g)
SiBr2(g)
SiBr3(g)
SiBr4
SiBr4(l)
SiBr4(g)
SiC
SiC(g)
SiC(A)
SiC(B)
SiC(C)
SiC2(g)
Si2C(g)
Si(CH3)4
Si(CH3)4(g)
Si(C2H5)4
Si(CH3)Cl3(g)
Si(CH3)3Cl(g)
Si(C6H5)Cl3(g)
SiCH3F3(g)
Si(CH3)2O(g)
SiCl(g)
SiCl2(g)
SiCl3(g)
SiCl4(l)
SiCl4(g)
SiClF3(g)
SiCl3F(g)
SiD(g)
SiD(H3)3(T g)
SiD3(H3)(T g)
SiF(g)
SiF2(g)
SiF3(g)
SiF4
SiF4(g)
SiF4(Ag)
Si2F6
Si2F6(g)
SiF6(-2a)
SiFCl(g)
SiH(g)
SiH2(g)
SiH3(g)
Si(H3)(T g)
SiH4(g)
Si(H3)4(T g)
Si(H3)2D2(T g)
Si2H4(g)
Si2H6
Si2H6(g)
SiH(+g)
SiHBr3(l)
SiHBr3(g)
SiH2Br2(g)
SiH3Br(g)
SiH2(CH3)2(g)
SiH(CH3)Cl2(g)
SiH(C6H5)Cl2(g)
SiHCl(g)
SiHCl3(l)
SiHCl3(g)
SiH2Cl2(g)
SiH3Cl(g)
SiHD3(g)
SiH2D2(g)
SiH3D(g)
Si(H3)DH2(T g)
SiHF(g)
SiHF3(g)
SiH2F2(g)
SiH3F(g)
Si(H3)H3(T g)
Si(H3)2H2(T g)
Si(H3)3H(T g)
Si(H3)HD2(T g)
Si(H3)2HD(T g)
SiHI3(g)
SiH2I2(g)
SiH3I(g)
SiI(g)
SiI2(g)
SiI3(g)
SiI4
SiI4(g)
SiN(g)
Si2N(g)
Si3N4
Si3N4(cr)
Si2N2O
SiO(g)
SiO2
SiO2(l)
SiO2(g)
SiO2(a)
SiO2(B)
SiO2(C)
SiO2(CR)
SiO2(CRS)
SiO2(G)
SiO2(H)
SiO2(Q)
SiO2(S)
SiO2(T )
SiO2(V)
Si2O2(g)
SiO4(-4g)
SiO4(-4a)
SiOF2(g)
Si2OF6(g)
Si(OH)4(a)
SiO2*H2O
SiOOH(g)
SiO(OH)3(-a)
SiO2(OH)2(-2a)
SiO3(OH)(-3a)
SiP
SiP (g)
SiP 2(g)
Si2P (g)
Si2P 2(g)
SiS
SiS(g)
SiS(C)
SiS2
SiS2(g)
SiS2(cr)
SiSe(g)
SiSe1.94
SiSe2
SiSe2(g)
SiT e(g)
SiT e2(g)
Si2T e3
SiZnAs2
SiZr
SiZr2
Si2Zr
Si3Zr5
Sm
Sm(g)
Sm(+4a)
Sm(+3a)
Sm(+2g)
Sm(+2a)
Sm(+g)
SmAl3Cl12(g)
Sm(AsO2)3
SmB4
SmB6
Sm(BH4)3
Sm(BiO2)3
SmBr2(ia)
SmBr3
SmBr3(ia)
SmBr(+2a)
Sm(BrO3)3(ia)
SmC2
SmC2(g)
Sm(CH3CO2)3(a)
SmCH3CO2(+2a)
Sm(CH3CO2)2(+a)
Sm(CH3COO)3(a)
SmCH3COO(+2a)
Sm(CH3COO)2(+a)
Sm(CHOO)3(ia)
Sm(CN)3(ia)
Sm2(CO3)3(ia)
Sm2(C2O4)3(ia)
SmCO3(+2a)
SmCO3(+a)
SmCl2
SmCl2(g)
SmCl2(ia)
SmCl3
SmCl3(g)
SmCl3(a)
SmCl(+2a)
SmCl2(+a)
SmCl4(-a)
SmCl3*6H2O
Sm(ClO4)2(ia)
Sm(ClO)3(ia)
Sm(ClO3)3(ia)
Sm(ClO4)3(ia)
Sm2(CrO4)3(ia)
Sm2(Cr2O7)3(ia)
SmF2
SmF2(g)
SmF2(ia)
SmF3
SmF3(g)
SmF3(a)
SmF(+2a)
SmF2(+a)
SmF4(-a)
SmFe(CN)6(a)
SmFeO3
SmHCO3(+2a)
SmH2P O4(+2a)
SmI2(ia)
SmI3
SmI3(ia)
SmI(+2a)
Sm(IO3)3
Sm(IO3)3(ia)
Sm(MnO4)3(ia)
Sm2(MoO4)3
Sm2(MoO4)3(ia)
SmN
Sm(NO3)2(ia)
Sm(NO2)3(ia)
Sm(NO3)3(ia)
SmNO3(+2a)
SmO(g)
Sm2O3
SmO(+a)
SmO2(-a)
SmOCl
Sm2O3*CuO
SmOF
SmO2H
SmO2H(a)
Sm(OH)2(ia)
Sm(OH)3
Sm(OH)3(ia)
SmOH(+2a)
SmP O4
SmP O4(ia)
Sm(P O3)3
SmP 5O14
SmP O4*2H2O
SmS
SmS(g)
Sm2S3
SmSO4(ia)
Sm2(SO3)3(ia)
Sm2(SO4)3(ia)
SmSO4(+a)
Sm(SO4)2(-a)
Sm2(SO4)3*8H2O
SmSe
SmSe(g)
Sm2Se3
Sm2(SeO3)3(ia)
Sm2(SeO4)3(ia)
SmT e
SmT e(g)
Sm2T e3
Sm2WO6
Sm2W2O9
Sm2(WO4)3
Sm6WO12
Sm14W4O33
SmZn
SmZn2
SmZn3
SmZn4.5
SmZn7.3
SmZn8.5
Sm3Zn11
Sm2Zr2O7
Sn
Sn(g)
Sn(G)
Sn2(g)
Sn(+4a)
Sn(+2a)
Sn(+g)
Sn(AlO2)2(ia)
Sn(AlO2)4(ia)
Sn3(AsO4)2
Sn3(AsO4)2(ia)
Sn3(AsO4)4(ia)
SnBr(g)
SnBr2
SnBr2(g)
SnBr2(a)
SnBr3(g)
SnBr4
SnBr4(g)
SnBr4(ia)
SnBr(+a)
SnBr3(-a)
SnBrI
SnBrI(g)
Sn(BrO3)2(ia)
Sn(BrO3)4(ia)
Sn(CH3)4
Sn(CH3)4(g)
Sn(C2H5)4
Sn(CH3COO)2(ia)
Sn(CH3COO)4(ia)
Sn(CHOO)2(ia)
Sn(CHOO)4(ia)
Sn(CN)2(ia)
Sn(CN)4(ia)
SnCO3(ia)
SnC2O4(ia)
Sn(CO3)2(ia)
Sn(C2O4)2(ia)
SnCl(g)
SnCl2
SnCl2(g)
SnCl2(a)
SnCl3(g)
SnCl4(l)
SnCl4(g)
SnCl4(ia)
SnCl(+a)
SnCl3(-a)
SnCl4(-2a)
SnCl2O2(g)
Sn(ClO)2(ia)
SnCl2O4(g)
Sn(ClO2)2(ia)
Sn(ClO3)2
Sn(ClO4)2(ia)
Sn(ClO)4(ia)
Sn(ClO2)4(ia)
Sn(ClO3)4(ia)
Sn(ClO4)4(ia)
SnD(g)
SnD4(g)
SnF(g)
SnF2
SnF2(g)
SnF2(ia)
SnF3(g)
SnF4
SnF4(g)
SnF4(ia)
Sn2F4(g)
SnFO(g)
SnF2O(g)
SnH(g)
Sn(H3)(T g)
SnH4(g)
Sn(HCO3)2(ia)
Sn(HC2O4)2(ia)
Sn(HCO3)4(ia)
Sn(HC2O4)4(ia)
SnHD3(g)
SnH2D2(g)
SnH3D(g)
Sn(HO2)2(ia)
Sn(HO2)4(ia)
SnHPO4(ia)
Sn(HS)2
Sn(HS)4(ia)
Sn(HSO3)2(ia)
Sn(HSO4)2(ia)
Sn(HSO3)4(ia)
Sn(HSO4)4(ia)
Sn(HSe)2(ia)
Sn(HSe)4(ia)
Sn(HSeO3)2(ia)
Sn(HSeO4)2(ia)
Sn(HSeO3)4(ia)
Sn(HSeO4)4(ia)
Sn(HSiF6)2(ia)
Sn(HSiF6)4(ia)
Sn(HT eO3)2(ia)
Sn(HT eO3)4(ia)
SnI(g)
SnI2
SnI2(g)
SnI2(ia)
SnI3(g)
SnI4
SnI4(g)
SnI4(ia)
Sn(I3)2(ia)
Sn(I3)4(ia)
Sn2I4(g)
Sn(IO3)2(ia)
Sn(IO3)4(ia)
SnMoO4
Sn(NO2)2(ia)
Sn(NO3)2
Sn(NO3)2(ia)
Sn(NO2)4(ia)
Sn(NO3)4(ia)
SnO
SnO(g)
SnO(a)
SnO(R)
SnO2
SnO2(g)
Sn(OCN)2(ia)
Sn(OCN)4(ia)
Sn(OH)2
Sn(OH)2(a)
Sn(OH)4
Sn(OH)4(a)
SnOH(+3a)
SnOH(+a)
Sn(OH)2(+2a)
Sn(OH)3(+a)
Sn(OH)3(-a)
Sn(OH)5(-a)
Sn(OH)6(-2a)
SnOHBr(a)
SnOHCl(a)
SnOHF(ia)
SnOHI(ia)
SnP2O7(ia)
Sn2P2O7(ia)
Sn3(PO4)2(ia)
Sn3(PO4)4(ia)
SnS
SnS(g)
SnS2
SnS2(g)
SnS2(ia)
Sn2S2(g)
Sn2S3
Sn3S4
Sn(SCN)2(ia)
Sn(SCN)4(ia)
SnSO3(ia)
SnSO4
SnSO4(ia)
SnS2O3(ia)
Sn(SO3)2(ia)
Sn(SO4)2
Sn(SO4)2(ia)
Sn(S2O3)3(ia)
Sn(SO4)O2
SnSe
SnSe(g)
SnSe2
SnSe2(ia)
Sn2Se2(g)
Sn(SeCN)2(ia)
Sn(SeCN)4(ia)
SnSeO3(ia)
SnSeO4(ia)
Sn(SeO3)2(ia)
Sn(SeO4)2(ia)
SnSiF6(ia)
Sn(SiF6)2(ia)
SnT e
SnT e(g)
SnT e2(g)
Sn2T e2(g)
SnT eO3(ia)
Sn(T eO3)2(ia)
SnWO4
Sr
Sr(g)
Sr(B)
Sr2(g)
Sr(+2g)
Sr(+2a)
Sr(+g)
SrAl2Si2O8
Sr(AsO2)2
Sr3(AsO4)2
Sr3(AsO4)2(ia)
SrBO2(g)
SrB2O4
SrB4O7
SrBi2O4
SrBi4O7
Sr2Bi6O11
Sr5Bi6O14
Sr6Bi2O6
Sr6Bi2O9
Sr6Bi2O11
Sr6Bi4O15
Sr6Bi14O27
Sr8Bi2O11
Sr8Bi10O23
Sr18Bi22O51
Sr24Bi14O52
SrBr(g)
SrBr2
SrBr2(g)
SrBr2(ia)
SrBr2*H2O
SrBr2*6H2O
Sr(BrO3)2
Sr(BrO3)2(ia)
SrBrOH(g)
Sr(BrO3)2*H2O
SrC2
Sr(CH3COO)2(a)
SrCH3COO(+a)
Sr(C2H4NO2)2(a)
Sr(C3H6NO2)2(a)
SrC2H4NO2(+a)
SrC3H6NO2(+a)
Sr(CHO2)2(a)
Sr(C2H3O3)2(a)
Sr(C3H5O2)2(a)
Sr(C3H5O3)2(a)
Sr(C4H7O2)2(a)
Sr(C5H9O2)2(a)
SrCHO2(+a)
Sr(CHO2)(+a)
SrC2H3O3(+a)
Sr(C3H5O2)(+a)
SrC3H5O3(+a)
Sr(C4H7O2)(+a)
SrC5H9O2(+a)
SrCI(+a)
Sr(CN)2(ia)
SrCO3
SrCO3(a)
SrC2O4(ia)
SrCl(g)
SrCl2
SrCl2(g)
SrCl2(a)
SrCl(+a)
SrCl(+g)
SrClF
SrCl2*H2O
SrCl2*2H2O
SrCl2*6H2O
Sr(ClO)2(ia)
Sr(ClO2)2(ia)
Sr(ClO3)2(ia)
Sr(ClO4)2
Sr(ClO4)2(ia)
SrCrO3
SrCrO4
SrCrO4(ia)
SrCr2O7(ia)
Sr2CrO4
Sr3Cr2O4
Sr3Cr2O8
SrF(g)
SrF2
SrF2(g)
SrF2(ia)
SrF(+g)
SrF(+a)
Sr2Fe(CN)6(ia)
Sr3Fe2(CN)12(ia)
SrFe12O19
Sr2Fe2O5
Sr3Fe2O6
Sr7Fe10O22
SrH(g)
SrH2
SrHCO3(+a)
SrHPO4
Sr2HfO4
SrI(g)
SrI2
SrI2(g)
SrI2(ia)
Sr(I3)2(ia)
Sr(IO3)2
Sr(IO3)2(ia)
Sr(IO3)2*H2O
Sr(IO3)2*6H2O
Sr(MnO4)2(ia)
SrMoO3
SrMoO4
SrMoO4(ia)
Sr2MoO4
Sr3MoO6
Sr3N2
Sr(NO2)2(ia)
Sr(NO3)2
Sr(NO3)2(ia)
Sr(NO3)2*4H2O
Sr(NbO3)2(ia)
SrO
SrO(g)
SrO2
SrO*Al2O3
*3SrO*Al2O3
*4SrO*Al2O3
SrO*CeO2
SrOH(g)
Sr(OH)2
Sr(OH)2(g)
Sr(OH)2(ia)
SrOH(+g)
SrOH(+a)
Sr(OH)Cl(g)
Sr(OH)F(g)
Sr(OH)I(g)
*3SrO*MgO*2SiO2
*3SrO*PuO3
SrO*2T eO2
Sr2P2O7(ia)
Sr3(PO4)2(ia)
SrPrO3
Sr(ReO4)2(ia)
SrRuO3
Sr2RuO4
SrS
SrS(g)
Sr(SCN)2(ia)
SrSO4
SrSO4(ia)
SrS2O3(ia)
Sr(SbO3)2
Sr2Sb2O7
Sr3(SbO4)2
SrSe
SrSe(g)
SrSe(ia)
SrSeO3(ia)
SrSeO4
SrSeO4(ia)
SrSiF6(ia)
SrSiO3
Sr2SiO4
Sr3SiO5
SrT bO3
SrT e
SrT eO3
SrT eO3(ia)
SrT eO3*H2O
SrT iO3
SrT i12O19
Sr2T iO4
Sr3T i2O7
Sr4T i3O10
SrUO4
SrUO4(A)
Sr(UO2)2(PO4)2
SrVO3
SrV2O6
Sr(VO3)2(ia)
Sr2VO4
Sr2V2O7
Sr3(VO4)2
Sr3V2O8
Sr3(VO4)2
SrWO4
SrWO4(ia)
Sr2WO5
Sr3WO6
SrZrO3
Sr2ZrO4
Sr3Zr2O7
Sr4Zr3O10
SrZrSi2O7
Sr6ZrSi5O18
Ta
T a(g)
T a(+g)
T a(-g)
T aB1.919
T aB2
T aB2.03
T aBr5
T aBr5(g)
T aC0.7
T aC0.99
T aC
T aC(l)
T a2C
T aCl(g)
T aCl2
T aCl2(g)
T aCl2.5
T aCl3
T aCl3(g)
T aCl4
T aCl4(g)
T aCl5
T aCl5(g)
T aCr2
T aF2
T aF2(g)
T aF3
T aF3(g)
T aF5
T aF5(g)
T aFO2
T aFe2
T a2H
T aI5
T aI5(g)
T aN
T a2N
T aO(g)
T aO2(g)
T a2O5
T aOBr3(g)
T aOCl3
T aOCl3(g)
T aO2Cl
T aOF3(g)
T aOI3(g)
T aS(g)
T aS2
T aS3
T aSi2
T a2Si
T a5Si3
Tb
T b(g)
T b(+4g)
T b(+4a)
T b(+3g)
T b(+3a)
T b(+2g)
T b(+2a)
T b(+g)
T bAl3Cl12(g)
T b(AsO2)3
T b(BiO2)3
T bBr3
T bBr3(g)
T bBr3(ia)
T bBr(+2a)
T b(BrO3)3(ia)
T bC2
T bC2(g)
T b(CH3COO)3(a)
T b(CH3COO)(+2a)
T b(CH3COO)2(+a)
T b(CHOO)3(ia)
T b(CN)3(ia)
T b2(CO3)3(ia)
T b2(C2O4)3(ia)
T bCO3(+a)
T bCl3
T bCl3(g)
T bCl3(a)
T bCl(+2a)
T bCl2(+a)
T bCl4(-a)
T bCl3*6H2O
T b(ClO)3(ia)
T b(ClO3)3(ia)
T b(ClO4)3(ia)
T b2(CrO4)3(ia)
T b2(Cr2O7)3(ia)
T bF3
T bF3(g)
T bF3(a)
T bF4
T bF4(ia)
T bF(+2a)
T bF2(+a)
T bF4(-a)
T bFe(CN)6(a)
T bFeO3
T bH2
T bHCO3(+2a)
T bH2PO4(+2a)
T bI3
T bI3(g)
T bI3(ia)
T bI(+2a)
T b(IO3)3
T b(IO3)3(ia)
T b(MnO4)3(ia)
T b(NO2)3(ia)
T b(NO3)3(ia)
T bNO3(+2a)
T bO(g)
T bO1.72
T bO1.83
T bO2
T b2O3
T b6O11
T b7O12
T b11O20
T bO(+a)
T bO2(-a)
T bOCl
T bO2H(a)
T b(OH)3
T b(OH)3(ia)
T bOH(+2a)
T bPO4
T bPO4(ia)
T bPO4*2H2O
T bS
T bS(g)
T b2S3
T b2(SO3)3(ia)
T b2(SO4)3(ia)
T bSO4(+a)
T b(SO4)2(-a)
T bSe
T bSe(g)
T b2Se3(g)
T bT e
T bT e(g)
T b2T e3
T b2(WO4)3
Tc
T c(g)
T c(+g)
T cC(g)
T c(CO)5Br(g)
T c(CO)5Cl(g)
T cCO7H4(-3a)
T c(CO)5I(g)
T cCl3
T cCl5
T cCl5(-a)
T cCl6(-2a)
T cCl3OH(-a)
T cF3
T cF4
T cF5
T cF5(g)
T cF6
T cF6(g)
T cO(g)
T cO2
T cO3
T c2O7
T c2O7(g)
T cO(+2a)
T cO4(-a)
T cO4(-2a)
T cO4(-3a)
T cO4C(a)
T cO5CH(-a)
T cOCl4(-a)
T cOCl5(-2a)
T cO2Cl4(-3a)
T cO3H2(a)
T c2O6H4(a)
T cO2H(+a)
T cO4H3(-a)
T c2O7*H2O
T cO5S(a)
T cS(g)
T cS2
T cS3
T c2S7
Te
T e(g)
T e(A)
T e2(g)
T e3(g)
T e4(g)
T e5(g)
T e6(g)
T e7(g)
T e(+g)
T eBr4
T e(C5H11)2
T eCl2
T eCl2(g)
T eCl4
T eCl4(g)
T eCl2O(g)
T eF(g)
T eF2(g)
T eF4
T eF4(g)
T eF5(g)
T eF6(g)
T e2F10(l)
T e2F10(g)
T eH(g)
T eH2(g)
T eI2(g)
T eI4
T eI4(g)
T eO
T eO(g)
T eO2
T eO2(g)
T eO3(g)
T e2O2(g)
(T eO2)2(g)
T eOBr2(g)
T e(OH)3(+a)
T eP(g)
Th
T h(g)
T h2(g)
T h(+4a)
T h(+g)
T hAl3
T hB(g)
T hBr(g)
T hBr2(g)
T hBr3(g)
T hBr4
T hBr4(g)
T hBr4(ia)
T hC
T hC1.93
T hC1.94
T hC2
T hC2(g)
T hC4(g)
T h(CH3COO)4(a)
T hCH3COO(+3a)
T h(CH3COO)2(+2a)
T h(CH3COO)3(+a)
T h(CH3COO)5(-a)
T h(C2O4)2(ia)
T hCl(g)
T hCl2
T hCl2(g)
T hCl3
T hCl3(g)
T hCl3(a)
T hCl4
T hCl4(g)
T hCl4(ia)
T hCl(+3a)
T h(ClO4)4(ia)
T h(CrO4)(+2a)
T hD2
T hD3.75
T hF(g)
T hF2(g)
T hF3
T hF3(g)
T hF3(a)
T hF4
T hF4(g)
T hF4(a)
T hF(+3a)
T hF2(+2a)
T hF3(+a)
T hF4*2.5H2O
T hH2
T h(H3)(T )
T h(H3)2(T )
T h(H3)3(T )
T h(H3)3.75(T )
T h4H15
T hHCO3(+2a)
T h(HP O4)2(a)
T hHP O4(+2a)
T hH2P O4(+3a)
T hH2P O4(+2a)
T hH3P O4(+4a)
T h(HP O4)3(-2a)
T h(HP O4)2*4H2O
T hI(g)
T hI2(g)
T hI3(g)
T hI4
T hI4(g)
T hI4(ia)
T hIr(g)
T hMg2
T hN
T h3N4
T h(NO3)4
T h(NO3)4(ia)
T h2N2O
T h(NO3)4*4H2O
T h(NO3)4*5H2O
T hO
T hO(g)
T hO2
T hO2(g)
T hO(+g)
T hO(+a)
T hO2(+g)
T hO2(-g)
T hOBr2
T hOCl2
T hOF(g)
T hOF2
T h(OH)4
T h(OH)4(a)
T hOH(+3a)
T h(OH)2(+2a)
T h(OH)3(+a)
T h2(OH)2(+6a)
T h4(OH)8(+8a)
T h6(OH)15(+9a)
T hOI2
T hP
T hP (g)
T h3P 4
T hP t(g)
T hRe2
T hRh
T hRh3
T hRh5
T h7Rh3
T hRu
T hRu(g)
T h7Ru3
T hS
T hS(g)
T hS1.7
T hS2
T hS2(g)
T hS2.333
T h2S3
T h2S5
T h3S7
T h7S12
T h(SO4)2
T h(SO4)2(a)
T hSO4(+2a)
T hSe
T hSe(g)
T hSe1.7
T hSe2
T hSe2(g)
T h2Se3
T hSi
T hSi2
T h3Si2
T h3Si5
T hT e
T hT e(g)
T hT e1.9
T hT e2
T hT e2(g)
T h2T e3
Ti
T i(g)
T i(A)
T i(B)
T i2(g)
T i(+3g)
T i(+g)
T i(-g)
T iAl
T iAl3
T i3As2O4
T i3(AsO4)2
T iB
T iB2
T iB2.022
T iBr
T iBr(g)
T iBr2
T iBr2(g)
T iBr3
T iBr3(g)
T iBr4
T iBr4(g)
T iBrCl3(g)
T iBr2Cl2(g)
T iBr3Cl(g)
T iC
T iCl(g)
T iCl2
T iCl2(g)
T iCl3
T iCl3(g)
T iCl4
T iCl4(l)
T iCl4(g)
T i2Cl6(g)
T iCl2C10H10
T iClO
T iClO(g)
T iCl2O(g)
T iCl2O(ia)
T iCl4*POCl3
T iCl4*2POCl3
T iCr2
T iF(g)
T iF2
T iF2(g)
T iF3
T iF3(g)
T iF4
T iF4(g)
T iF6(-2a)
T iFe2C30H28
T i5Ge3
T i6Ge5
T iH1.61
T iH1.72
T iH2
T iI
T iI(g)
T iI2
T iI2(g)
T iI3
T iI3(g)
T iI4
T iI4(g)
T iN0.66
T iN
T iN(g)
T iN0.84O0.16
T iO
T iO(g)
T iO(+2ia)
T iO(B)
T iO1.01
T iO2
T iO2(g)
T iO2(A)
T i2O3
T i2O4(l)
T i3O2
T i3O5
T i3O5(B)
T i4O7
T i5O9
T i6O11
T i7O13
T i8O15
T i9O17
T i10O19
T i20O39
T iO(+g)
T iOBr2(ia)
T iOC2O4(ia)
T iO(ClO4)2(ia)
T iOF(g)
T iOF2(g)
T iOF2(ia)
T i(OH)4(a)
T iO(H2O2)(+2a)
T iOI2(ia)
T iO(NO3)2(ia)
T iO(OH)2(ia)
T iOSO4(ia)
T iS
T iS(g)
T iS1.5
T iS2
T iS2(g)
T iS3
T i2S
T iSe0.5
T iSe0.8
T iSe
T iSe(g)
T iSe1.5
T iSe2
T iSi
T iSi2
T i5Si3
T iT e
T iT e(g)
T iT e1.5
T iT e1.75
T iT e1.9
T iT e2
T i2T e
Tl
T l(g)
T l2(g)
T l(+3g)
T l(+3a)
T l(+a)
T l(+g)
T lAlO2(ia)
T l(AlO2)3(ia)
T lAsO4
T lAsO4(ia)
T l3AsO4(ia)
T lBr
T lBr(g)
T lBr(ia)
T lBr3(a)
T lBr3(ia)
T l2Br2(g)
T lBr(+2a)
T lBr(+a)
T lBr2(+a)
T lBr2(-a)
T lBr4(-a)
T lBrO3
T lBrO3(ia)
T l(BrO3)3(ia)
T lCH3CO2(ia)
T lCH3COO(a)
T l(CH3COO)3(ia)
T l(CH3COO)2(-a)
T lCN(ia)
T l(CN)3(ia)
T lCNS
T lCNS(a)
T lCNS(ia)
T l(CNS)3(ia)
T l2CO3
T l2CO3(ia)
T l2C2O4(ia)
T l2(CO3)3(ia)
T l2(C2O4)3(ia)
T lCl
T lCl(g)
T lCl(a)
T lCl3
T lCl3(a)
T lCl3(ia)
T l2Cl2
T l2Cl2(g)
T lCl(+2a)
T lCl2(+a)
T lCl4(-a)
T lClO(ia)
T lClO2(ia)
T lClO3(ia)
T lClO4(ia)
T l(ClO)3(ia)
T l(ClO2)3(ia)
T l(ClO3)3(ia)
T l(ClO4)3(ia)
T l2CrO4
T lD(g)
T lF
T lF(g)
T lF(a)
T lF3
T lF3(ia)
T l2F2
T l2F2(g)
T lFe(CN)6(-3a)
T lH(g)
T l(H3)(T g)
T l(HO2)3(ia)
T lI
T lI(g)
T lI(ia)
T l(I3)(ia)
T lI3(ia)
T l2I2(g)
T lIO3
T lIO3(ia)
T l(IO3)3(ia)
T l2MoO4
T lN3
T lNO2
T lNO2(ia)
T lNO3
T lNO3(a)
T lNO3(ia)
T l(NO2)3(ia)
T l(NO3)3(ia)
T lO(g)
T l2O
T l2O(g)
T l2O3
T lO(+a)
T lO2(-a)
T lOCN(ia)
T l(OCN)3(ia)
T lOH
T lOH(g)
T lOH(a)
T l(OH)3(ia)
T lOH(+2a)
T l(OH)O(a)
T lPO4(ia)
T l3PO4(ia)
T l4P2O7(ia)
T l4(P2O7)3(ia)
T lS
T lS2
T l2S
T l2S(g)
T l2S(ia)
T l2S3(ia)
T l4S3
T l2SO3(ia)
T l2SO4
T l2SO4(g)
T l2SO4(ia)
T l2S2O3(ia)
T l2(SO3)3(ia)
T l2(SO4)3(ia)
T l2(S2O3)3(ia)
T lSO4(-a)
T lSe
T l2Se
T l2Se(g)
T l2Se(ia)
T l2Se3
T l2Se3(ia)
T lSeCN(ia)
T l(SeCN)3(ia)
T l2SeO3(ia)
T l2SeO4
T l2SeO4(ia)
T l2(SeO3)3(ia)
T l2(SeO4)3(ia)
T l2SiF6(ia)
T l2(SiF6)3(ia)
T lT e
T l2T e
T l2T e3
T l2T eO3(ia)
T l2(T eO3)3(ia)
T l2WO4
Tm
T m(g)
T m(+4a)
T m(+3g)
T m(+3a)
T m(+2a)
T m(+g)
T mAl3Cl12(g)
T m(AsO2)3
T m(BiO2)3
T mBr3
T mBr3(g)
T mBr3(ia)
T m(BrO3)3(ia)
T mC2(g)
T m(CH3COO)3(a)
T mCH3COO(+2a)
T m(CH3COO)2(+a)
T m(CHOO)3(ia)
T m(CN)3(ia)
T m2(CO3)3(ia)
T m2(C2O4)3(ia)
T mCO3(+a)
T mCl3
T mCl3(g)
T mCl3(a)
T mCl(+2a)
T mCl2(+a)
T mCl4(-a)
T m(ClO)3(ia)
T m(ClO3)3(ia)
T m(ClO4)3(ia)
T m(CrO4)3(ia)
T m(Cr2O7)3(ia)
T mF3
T mF3(g)
T mF3(a)
T mF(+2a)
T mF2(+a)
T mF4(-a)
T mFe(CN)6(a)
T mFeO3
T mHCO3(+2a)
T mH2PO4(+2a)
T mI3
T mI3(g)
T mI3(ia)
T m(IO3)3
T m(IO3)3(ia)
T m(MnO4)3(ia)
T m(NO2)3(ia)
T m(NO3)3(ia)
T mNO3(+2a)
T mO(g)
T m2O3
T mO(+a)
T mO2(-a)
T mOCl
T mO2H(a)
T m(OH)3
T m(OH)3(ia)
T mOH(+2a)
T mPO4
T mPO4(ia)
T mPO4*2H2O
T mS
T mS(g)
T m2S3
T m2(SO3)3(ia)
T m2(SO4)3(ia)
T mSO4(+a)
T m(SO4)2(-a)
T mSe
T mSe(g)
T m2Se3
T mT e
T mT e(g)
T m2T e3
T m2(WO4)3
U
U(g)
U(+4a)
U(+3a)
U(+g)
UAl2
UAl3
UAl4
UAl2Cl10(g)
UAs
UAs2
U3As4
UAsO5
UB1.979
UB1.98
UB2
UB4
UB12
UBe13
UBi
UBi2
U3Bi4
UBr(g)
UBr2(g)
UBr3
UBr3(g)
UBr3(ia)
UBr4
UBr4(g)
UBr4(ia)
UBr5
UBr5(g)
UBrCl2
UBrCl3
UBr2Cl
UBr2Cl2
UBr3Cl
UC
UC1.9
UC1.93
UC1.94
UC2
U2C3
U(CH3COO)3(a)
UCH3COO(+2a)
U(CH3COO)2(+a)
UCHO2(+2a)
U(CHO2)(+2a)
U(CHO2)2(+a)
U(C3H5O2)(+2a)
U(C4H7O2)(+2a)
UC5H9O2(+2a)
U(C3H5O2)2(+a)
U(C4H7O2)2(+a)
U(C2O4)2(ia)
U(CO3)5(-6a)
UCd11
UCl(g)
UCl2(g)
UCl3
UCl3(g)
UCl3(ia)
UCl4
UCl4(g)
UCl4(ia)
UCl5
UCl5(g)
UCl6
UCl6(g)
U2Cl8(g)
(UCl5)2(g)
UCl(+3a)
UClBr3
UCl2Br2
UCl3Br
UClF3
UCl2F2
UCl3F
UClI3
UCl2I2
UCl3I
U(ClO4)3(ia)
U(ClO4)4(ia)
UD3
UD3(B)
UF(g)
UF2(g)
UF3
UF3(g)
UF4
UF4(g)
UF4(a)
UF4.25
UF4.5
UF5
UF5(g)
UF5(A)
UF6
UF6(g)
U2F9
U4F17
UF(+3a)
UF(+g)
UF(-g)
UF2(+2a)
UF2(+g)
UF2(-g)
UF3(+a)
UF3(+g)
UF3(+a)
UF3(-g)
UF4(+g)
UF4(-g)
UF5(+g)
UF5(-g)
UF5(-a)
UF6(-g)
UF6(-2a)
UF4*2.5H2O
UFe2
UGa3
UH3
UH3(B)
U(H3)3(T B)
U(HP O4)2(a)
UHP O4(+2a)
U(HP O4)3(-2a)
U(HP O4)4(-4a)
U(HP O4)2*4H2O
UHg2
UHg3
UHg4
UI(g)
UI2(g)
UI3
UI3(g)
UI3(ia)
UI4
UI4(g)
UI4(ia)
UIn3
UN0.965
UN0.997
UN
UN1.5
UN1.51
UN1.55
UN1.59
UN1.69
UN1.73
UN2
U2N3
U(NO3)3(ia)
U(NO3)4(ia)
UO
UO(g)
UO2
UO2(g)
UO2(U)
UO2.33(B)
UO3
UO3(g)
UO3(A)
UO3(B)
UO3(G)
U2O2(g)
U2O3(g)
U2O4(g)
U3O7
U3O8
U4O9
UO(+g)
UO2(+2a)
UO2(+2g)
UO2(+2a)
UO2(+g)
UO2(+a)
UO2(-g)
UO3(-g)
UO2(AsO3)2
(UO2)2As2O7
(UO2)3(AsO4)2
UOBr2
UOBr3
UO2Br2
UO2Br2*H2O
UO2Br2*3H2O
UO2BrO3(+a)
UO2BrOH*2H2O
UO2(CH3COO)2(a)
UO2(CH3COO)(+a)
UO2(CH3COO)3(-a)
UO2(CHOO)2(ia)
UO2(CN)2(ia)
UO2CO3
UO2CO3(ia)
UO2C2O4(ia)
UO2(CO3)2(-2a)
UO2(CO3)3(-4a)
(UO2)3(CO3)6(-6a)
UOCl
UOCl2
UOCl3
UO2Cl
UO2Cl2
UO2Cl2(g)
UO2Cl2(a)
UO2Cl2(ia)
U2O2Cl5
(UO2)2Cl3
U2O5Cl5
U5O12Cl
UO2Cl(+a)
UO2Cl2*H2O
UO2Cl2*3H2O
UO2(ClO3)2(ia)
UO2(ClO4)2(ia)
UO2ClO3(+a)
UO2ClOH*2H2O
UO2Cr2O7(ia)
UOF(g)
UOF2
UOF2(g)
UOF3(g)
UOF4
UOF4(g)
UO2F(g)
UO2F2
UO2F2(g)
UO2F2(a)
UO2F2(ia)
U2O3F6
U3O5F8
UO2F(+a)
UO2F3(-a)
UO2F4(-2a)
UOF2*H2O
UO2F2*3H2O
UOFOH
UOFOH*0.5H2O
UO2FOH*H2O
UO2FOH*2H2O
UO2FOH*3H2O
U(OH)3(ia)
U(OH)4(a)
U(OH)4(ia)
UOH(+3a)
U(OH)2(+2a)
U(OH)3(+a)
U(OH)5(-a)
UO3*0.9H2O
UO3*0.9H2O(A)
UO3*H2O
UO3*2H2O
UO4*4H2O
UO2HP O4(a)
UO2(H2P O4)2(a)
UO2(HP O4)(-2a)
UO2H2P O4(+a)
UO2(H2P O4)3(-a)
UO2HP O4*4H2O
UO2I2(ia)
UO2(IO3)2
UO2IO3(+a)
UO2(MnO4)2(ia)
UO2(NCS)2(a)
UO2NCS(+a)
UO2(NCS)3(-a)
UO2(NO2)2(ia)
UO2(NO3)2
UO2(NO3)2(ia)
UO2(NO3)2*H2O
UO2(NO3)2*2H2O
UO2(NO3)2*3H2O
UO2(NO3)2*6H2O
UO2(OH)2
UO2(OH)2(a)
UO2(OH)2(ia)
UO2OH(+a)
(UO2)2(OH)2(+2a)
(UO2)3(OH)5(+a)
UO2OHF*H2O
UO2OHF*2H2O
UO2(OH)2*H2O
UO2(P O3)2
(UO2)2P 2O7
(UO2)2(P O4)2
(UO2)3(P O4)2
(UO2)3(P O4)2*4H2O
(UO2)3(P O4)2*6H2O
UOS
UO2(SCN)2(a)
UO2SCN(+a)
UO2(SCN)3(-a)
UO2SO3
UO2SO3(ia)
UO2SO4
UO2SO4(a)
UO2SO4(B)
UO2(SO4)2(-2a)
UO2SO4*H2O
UO2SO4*2.5H2O
UO2SO4*3H2O
UO2SO4*3.5H2O
UP
UP 2
U3P 4
UP O5
UP 2O7
UP d3
(U0.8Pu0.2)N
URh3
URu3
US
US(g)
US1.5
US1.9
US2
US2(g)
US3
(US)2(g)
U2S3
U3S5
USCN(+3a)
U(SCN)2(+2a)
U(SO3)2
U(SO4)2
U(SO4)2(a)
U2(SO4)3(ia)
USO4(+2a)
U(SO4)2*4H2O
U(SO4)2*8H2O
USb
USb2
U3Sb4
USe
USe(g)
USe1.5
USe2
USe2(g)
USe2(A)
USe2(B)
USe3
U2Se3
U3Se4
U3Se5
USi
USi2
USi3
U3Si
U3Si2
U3Si5
USiO4
USn3
UT e
UT e(g)
UT e2
UT e2(g)
UT e3
U2T e3
U3T e4
U3T e5
U3T e7
UT l3
UVC2
UVN2
U2Zn17
V
V(g)
V(+5g)
V(+4g)
V(+3g)
V(+3a)
V(+2a)
V(+g)
V(-g)
VAlCl6(g)
VB
VB2
V2B3
V3B2
V3B4
V5B6
VBr2
VBr2(g)
VBr2(ia)
VBr3
VBr3(g)
VBr3(ia)
VBr4(g)
VBr5(g)
VC0.73
VC0.8
VC0.88
VC0.9
VC
V2C
V(C5H5)2
VCNS(+2a)
VCl2
VCl2(g)
VCl2(ia)
VCl3
VCl3(g)
VCl3(ia)
VCl4(l)
VCl4(g)
VCl5(g)
VF2
VF2(g)
VF3
VF3(g)
VF4
VF4(g)
VF5(l)
VF5(g)
VF3O(g)
V3Ge
V5Ge3
VI2
VI2(g)
VI2(ia)
VI3
VI3(ia)
VI5(g)
VN0.465
VN
VN(g)
V(NO3)2(ia)
V(NO3)3(ia)
VO
VO(g)
VO1.24
VO2
VO2(g)
V2O3
V2O4
V2O5
V3O5
V4O7
V4O10(g)
V5O9
V6O11
V6O13
V7O13
V8O15
VO(+2a)
VO(+a)
VO2(+2a)
VO2(+a)
VO3(-a)
VO4(-3a)
VOBr3(g)
VO2(CH3COO)(ia)
VO2(CHOO)(ia)
VOCO3
VOC2O4(ia)
VOCl
VOCl(g)
VOCl2
VOCl2(g)
VOCl2(ia)
VOCl3
VOCl3(g)
VO2Cl
VO2Cl(ia)
VOF2(a)
VOF2(ia)
VO2F(ia)
VOF(+a)
VOF3(-a)
VOF4(-2a)
(VO)2Fe(CN)6(ia)
V(OH)2(ia)
V(OH)3(ia)
VOH(+2a)
VOH(+a)
V2(OH)2(+4a)
V2O5*H2O
VOI3(g)
VO(NO3)2(ia)
VO2NO3(ia)
VO(OH)2(ia)
VO2OH(ia)
V2O3(OH)4(g)
VOOH(+a)
V2O2(OH)2(+2a)
(VO)3(PO4)2(ia)
VOSCN(+a)
VOSO4
VOSO4(a)
VOSO4(ia)
VOSO4*H2O
VOSO4*3H2O
VOSO4*5H2O(A)
VOSO4*5H2O(B)
VOSO4*6H2O
VS
VS(g)
VS1.043
VS4
V2S3
VSO4(ia)
V2(SO4)3(ia)
VSe(g)
VSi2
V3Si
V5Si3
V3Sn
VT e(g)
W
W(g)
W(+g)
W(-g)
WB
W2B
W2B5
WBr(g)
WBr2
WBr2(g)
WBr3(g)
WBr4
WBr4(g)
WBr5
WBr5(g)
WBr6
WBr6(g)
WC
W2C
W(CO)6
W(CO)6(g)
WCl(g)
WCl2
WCl2(g)
WCl3
WCl3(g)
WCl4
WCl4(g)
WCl5
WCl5(g)
WCl6
WCl6(g)
WCl6(A)
WCl6(B)
W2Cl10(g)
WCl2O
WCl2O(g)
WCl3O
WCl3O(g)
WF(g)
WF2(g)
WF3(g)
WF4
WF4(g)
WF5
WF5(g)
WF6(l)
WF6(g)
WFO(g)
WFO2(g)
WF2O(g)
WF2O2(g)
WF3O(g)
WI(g)
WI2
WI2(g)
WI3(g)
WI4(g)
WI5(g)
WI6(g)
W2N
WO(g)
WO2
WO2(g)
WO2.72
WO2.722
WO2.9
WO2.96
WO3
WO3(g)
W2O6(g)
W3O
W3O8(g)
W3O9(g)
W4O12(g)
W5O15(g)
WO3(-g)
WO4(-2a)
WOBr2
WOBr3
WOBr4
WOBr4(g)
WO2Br2
WO2Br2(g)
WOCl(g)
WOCl2
WOCl3
WOCl4
WOCl4(l)
WOCl4(g)
WO2Cl
WO2Cl(g)
WO2Cl2
WO2Cl2(g)
WOF4
WOF4(l)
WOF4(g)
WOH(g)
W(OH)2(g)
WO2I2(g)
WO(OH)(g)
WO(OH)2(g)
WS(g)
WS2
WS2(g)
WS3
WSe2
WSi2
WSi2.06
W5Si3
WT e2
Xe(g)
Xe(a)
Xe2(g)
Xe(+g)
XeF(g)
XeF2
XeF2(g)
XeF4
XeF4(g)
XeF6
XeF6(g)
XeO3(g)
XeO4(g)
XeOF4(g)
XeO2F2(g)
XeO3F2(g)
Y
Y(g)
Y2(g)
Y(+3g)
Y(+3a)
Y(+g)
YAl3Br12(g)
YAl3Cl12(g)
YAl4Cl15(g)
Y3Al5O12
YAsO4
Y2BaO4
YBr2(g)
YBr(+2a)
YC2
YC2(g)
Y(C5H5)3
Y(CH3COO)3(a)
YCH3COO(+2a)
Y(CH3COO)2(+a)
Y(CHOO)3(ia)
Y(CN)3(ia)
Y2(CO3)3(ia)
Y2(C2O4)3(ia)
YCl(g)
YCl2(g)
YCl3
YCl3(g)
YCl3(ia)
YCl(+2a)
YCl3*6H2O
Y(ClO3)3(ia)
Y(ClO4)3(ia)
Y2(CrO4)3(ia)
Y2(Cr2O7)3(ia)
YCuO2
Y2Cu2O5
YD2
YD3
YF(g)
YF2(g)
YF3
YF3(g)
YF3(ia)
YF(+2a)
YFeO3
Y3Fe5O12
YH2
YH3
YI2(g)
YI3
YI3(g)
YI3(ia)
Y(IO3)3
Y(MnO4)3(ia)
Y2(MoO4)3
Y2(MoO4)3(ia)
YN
Y(NO2)3(ia)
Y(NO3)3(ia)
YO(g)
YO2(g)
Y2O(g)
Y2O2(g)
Y2O3
YO(+g)
YO(+a)
YO2(-a)
YOCl
Y(OH)3
Y(OH)3(ia)
YOH(+2a)
Y2O3*2ZrO2
YP O4
YP O4(ia)
YP O4*2H2O
YRe2
Y(ReO4)3
YS
YS(g)
Y2S3
Y2(SO3)3(ia)
Y2(SO4)3(ia)
YSO4(+a)
Y(SO4)2(-a)
Y2(SO4)3*8H2O
YSe
YSe(g)
Y2Se3
Y2(SeO3)3(ia)
Y2(SeO4)3(ia)
Y2Si2O7
YT e
YT e(g)
Y2T e3
Y2WO6
Y2W3O12
Y2W3O12(a)
Y6WO12
Y10W2O21
Y14W4O33
YZn
YZn2
YZn3
YZn4
YZn5
YZn11
YZn12
Y2Zn17
Yb
Yb(g)
Yb(+4a)
Yb(+3g)
Yb(+3a)
Yb(+2g)
Yb(+2a)
Yb(+g)
YbAl3Cl12(g)
Yb(AsO2)3
Yb(BiO2)3
YbBr2(ia)
YbBr3
YbBr3(ia)
Yb(BrO3)3(ia)
YbC1.375
YbC1.385
YbC1.395
YbC1.405
YbC2
Yb(CH3CO2)3(a)
YbCH3CO2(+2a)
Yb(CH3CO2)2(+a)
Yb(CH3COO)3(a)
YbCH3COO(+2a)
Yb(CH3COO)2(+a)
Yb(CHO2)3(ia)
YbCHO2(+2a)
Yb(CHO2)(+2a)
Yb(CHO2)2(+a)
Yb(C3H5O2)(+2a)
Yb(C4H7O2)(+2a)
YbC5H9O2(+2a)
Yb(C3H5O2)2(+a)
Yb(C4H7O2)2(+a)
Yb(C5H9O2)2(+a)
Yb(CN)3(ia)
YbC2O4(ia)
Yb2(CO3)3(ia)
Yb2(C2O4)3(ia)
YbCO3(+a)
YbCl(g)
YbCl2
YbCl2(g)
YbCl2(ia)
YbCl3
YbCl3(g)
YbCl3(a)
YbCl(+2a)
YbCl2(+a)
YbCl4(-a)
YbCl3*6H2O
Yb(ClO3)2(ia)
Yb(ClO4)2(ia)
Yb(ClO4)3(ia)
Yb2(CrO4)3(ia)
Yb2(Cr2O7)3(ia)
YbD(g)
YbF(g)
YbF2(g)
YbF2(ia)
YbF3
YbF3(g)
YbF3(a)
YbF(+2a)
YbF2(+a)
YbF4(-a)
YbFe(CN)6(a)
YbH(g)
YbHCO3(+2a)
YbH2PO4(+2a)
YbI2(ia)
YbI3(ia)
Yb(IO3)3
Yb(IO3)3(ia)
Yb(MnO4)3(ia)
Yb2(MoO4)3(ia)
YbN
Yb(NO3)2(ia)
Yb(NO2)3(ia)
Yb(NO3)3(ia)
YbNO3(+2a)
YbO(g)
Yb2O3
YbO(+a)
YbO2(-a)
Yb2OC
YbOCl
YbO2H(a)
Yb(OH)2(ia)
Yb(OH)3
Yb(OH)3(ia)
YbOH(+2a)
YbPO4
YbPO4(ia)
YbPO4*2H2O
YbS
YbS(g)
Yb2S3
YbSO4(ia)
Yb2(SO3)3(ia)
Yb2(SO4)3(ia)
YbSO4(+a)
Yb(SO4)2(-a)
YbSe
YbSe(g)
Yb2Se3
YbT e
YbT e(g)
Yb2(WO4)3
Zn
Zn(l)
Zn(g)
Zn(FCC)
Zn(HCP )
Zn(+2g)
Zn(+2a)
Zn(+g)
Zn(-g)
ZnAl2Cl8(g)
ZnAl2S4
ZnAs2
Zn3As2
Zn3(AsO4)2
ZnBr(g)
ZnBr2
ZnBr2(g)
ZnBr2(a)
ZnBr2(ia)
Zn2Br4(g)
ZnBr(+a)
ZnBr3(-a)
ZnBr2*2H2O
Zn(BrO3)2(ia)
Zn(CH3)2
Zn(CH3)2(g)
Zn(C2H5)2
Zn(C2H5)2(g)
Zn(CH3COO)2(a)
Zn(CH3COO)(+a)
Zn(CH3COO)3(-a)
Zn(C3H6NO2)2(a)
ZnC2H4NO2(+a)
ZnC3H6NO2(+a)
Zn(CHO2)2(a)
Zn(C2H3O3)2(a)
Zn(C3H5O2)2(a)
Zn(C3H5O3)2(a)
Zn(C4H7O2)2(a)
Zn(C5H9O2)2(a)
ZnCHO2(+a)
Zn(CHO2)(+a)
ZnC2H3O3(+a)
Zn(C3H5O2)(+a)
ZnC3H5O3(+a)
Zn(C4H7O2)(+a)
ZnC5H9O2(+a)
Zn(CN)2
Zn(CN)2(a)
Zn(CN)2(ia)
Zn(CN)3(-a)
Zn(CN)4(-2a)
Zn(CNS)2(ia)
ZnCNS(+a)
ZnCO3
ZnCO3(ia)
ZnC2O4(ia)
Zn(C2O4)2(-2a)
ZnC2O4*2H2O
ZnCl(g)
ZnCl2
ZnCl2(g)
ZnCl2(a)
ZnCl2(ia)
Zn2Cl4(g)
ZnCl(+a)
ZnCl3(-a)
ZnCl2*6NH3
Zn(ClO)2(ia)
Zn(ClO2)2(ia)
Zn(ClO3)2(ia)
Zn(ClO4)2(ia)
ZnCo3
ZnCrO4
ZnCrO4(ia)
ZnCr2O7(ia)
ZnCr2S4
ZnD(g)
ZnF(g)
ZnF2
ZnF2(g)
ZnF2(ia)
ZnF(+a)
ZnF2*4H2O
Zn0.1Fe2.9O4
Zn0.3Fe2.7O4
Zn0.5Fe2.5O4
Zn0.7Fe2.3O4
ZnFe2O4
ZnGa2S4
ZnGa8S13
ZnH(g)
Zn(H3)(T g)
Zn(HS)2(a)
ZnHS(+a)
Zn(HS)3(-a)
ZnI(g)
ZnI2
ZnI2(g)
ZnI2(ia)
Zn(I3)2(ia)
Zn2I4(g)
Zn(IO3)2(ia)
ZnIn2S4
ZnMn2O4
Zn(MnO4)2(ia)
ZnMoO4
ZnMoO4(ia)
Zn3N2
ZnNH3(+2a)
Zn(NH3)2(+2a)
Zn(NH3)3(+2a)
Zn(NH3)4(+2a)
Zn(NH3)2CS3
Zn(NO)2(ia)
Zn(NO3)2
Zn(NO3)2(ia)
Zn(NO3)2*2H2O
Zn(NO3)2*4H2O
Zn(NO3)2*6H2O
ZnO
ZnO(l)
ZnO(g)
ZnO(a)
ZnO2(-2a)
ZnO*Al2O3
ZnO*Al2O3(ia)
ZnO*Cr2O3
ZnOH(g)
Zn(OH)2
Zn(OH)2(g)
Zn(OH)2(D)
Zn(OH)2(E)
Zn(OH)2(G)
Zn(OH)2(ia)
ZnOH(+a)
Zn5(OH)6(CO3)2
Zn3(OH)4(NO3)2
Zn(OH)(NO3)*H2O
Zn5(OH)8(NO3)2*2H2O
*2ZnO*3MoO3
*3ZnO*2MoO3
ZnO*2ZnSO4
ZnP2
Zn3P2
Zn2P2O7(ia)
Zn3(PO4)2
Zn3(PO4)2(ia)
Zn(P2O7)2(-6a)
ZnS
ZnS(g)
ZnS(B)
ZnS(W)
ZnS(ia)
ZnSO3(ia)
ZnSO4
ZnSO4(a)
ZnSO4(ia)
ZnS2O3(ia)
ZnSO4*H2O
ZnSO4*2H2O
ZnSO4*6H2O
ZnSO4*7H2O
ZnSb
ZnSe
ZnSe(g)
ZnSe(ia)
ZnSeO3
ZnSeO3(ia)
ZnSeO4
ZnSeO4(ia)
ZnSiF6(ia)
ZnSiO3
Zn2SiO4
Zn2SiO4(G)
ZnSnAs2
ZnT e
ZnT e(g)
ZnT eO3(ia)
Zn2T iO4
Zn3(VO4)2
ZnWO4
ZnWO4(a)
Zr
Zr(g)
Zr(A)
Zr(B)
Zr2(g)
Zr(+4a)
Zr(+2g)
Zr(+g)
Zr(-g)
ZrB1.985
ZrB1.993
ZrB2
ZrB2(g)
ZrBr(g)
ZrBr2
ZrBr2(g)
ZrBr3
ZrBr3(g)
ZrBr4
ZrBr4(g)
ZrC0.96
ZrC
ZrC4
ZrCl
ZrCl(g)
ZrCl2
ZrCl2(g)
ZrCl3
ZrCl3(g)
ZrCl4
ZrCl4(g)
ZrCl2C10H10
ZrCl4*POCl3
ZrCl4*POCl3(ia)
ZrCl4*2POCl3
ZrD2
ZrF(g)
ZrF2
ZrF2(g)
ZrF3
ZrF3(g)
ZrF4
ZrF4(g)
ZrF4*NH4F
ZrF4*2NH4F
ZrF4*3NH4F
ZrH(g)
ZrH2
ZrI(g)
ZrI2
ZrI2(g)
ZrI3
ZrI3(g)
ZrI4
ZrI4(g)
ZrN
ZrN(g)
ZrO(g)
ZrO2
ZrO2(g)
ZrO2(a)
ZrO(+2a)
ZrO(+g)
ZrOBr2(ia)
ZrOC2O4(ia)
ZrOCl2
ZrOCl2(ia)
Zr2O3Cl2
ZrO(ClO4)2(ia)
ZrOF2(ia)
Zr(OH)4
ZrOH(+3a)
Zr(OH)2(+2a)
ZrOI2(ia)
ZrO(NO3)2(ia)
ZrO(OH)2
ZrO(OH)2(ia)
ZrOSO4(ia)
ZrS(g)
ZrS1.5
ZrS2
ZrS2(g)
ZrS3
Zr2S3
Zr(SO4)2
ZrSe2
ZrSe3
ZrSi
ZrSi2
Zr2Si
Zr5Si3
ZrSiO4
ZrT e1.843
ZrT e2
ZrT e2(g)
ZrT e3
Zr5T e4
ZrT iO4
0
T otal: 21196
35. HSC DLL TOOLS
HSC DLL Tools have been developed for Visual Basic 6 applications, however, they may
also be used in other programming environments, such as VBA, Visual C++ and Delphi.
However, HSC DLL Tools have only be e n te ste d with Visual Basic 6.
With HSC Chemistry 5.1 it is possible to access the HSC database or the Gibbs module
directly from a user program through a number of available subroutines. This is achieved
by first linking the HSC5.dll or Gibbs5.dll (Dynamic Link Library) file located in the
Windows System directory. Any computer running a program utilizing the above
DLL-files, must have a le gal ve rsion of HSC Che mistry 5.1 or above installe d.
If you create your own thermochemical applications with HSC DLL Tools which you
would also like to pass on to others, please send these to Outokumpu:
Antti Roine
P.O. Box 60
FIN-28101 PORI, FINLAND
Fax: +358 - 2 - 626 - 5310
Email: hsc@outokumpu.com
We may add your applications to future versions of HSC Chemistry, if these applications
seem to have general interest.
Important Note : In new HSC Chemistry 6.0 the HSC5.DLL and Gibbs5.DLL have
been combined into one file: HSC6.DLL.
35.1 Getting Started

The following procedure is the simplest way of including the HSC database and
subroutines using Visual Basic:
1. Open the Visual Basic editor.

2. Select “Proje ct, Re fe re nce s” from the menu.
3. Select “Browse …” and locate either HSC5.dll or Gibbs5.dll from your HSC
directory (for example C:\HSC5\HSC5.dll).
The subroutines as well as the HSC database are now available for the programmer. To
initialize the subroutines of the HSC5.dll file, use for example the following line:
Dim HSC As New HSC5.HSC
To initialize the use of the subroutines of the Gibbs5.dll file, use for example the following
line:
Dim Gibbs As New Gibbs5.Gibbs
To call a subroutine, for example to retrieve the enthalpy (H) of the species “CO2(g)” at
temperature 100 (Celsius or Kelvin), the H subroutine may be used:
Call HSC.H(“ CO2(g)” , 100, H)
Changing the units to Kelvin, MPa and MJ is achieved by calling the Units subroutine:
Call HSC.Units(“ K” , "MPa", “ MJ” )
A complete description of the available subroutines is given in Chapter 35.3.
35.2 Example Files

There are three Visual Basic 6.0 examples included in the HSC Chemistry CD located in
the HSC DLL Tools\VB6 folder. These are HSC_Te st1, HSC_Te st2 and
Gibbs_Te st1. HSC_Te st1 demonstrates how H, S, Cp and G data for a selected
species may be displayed in an easy way. HSC_Te st2 demonstrates the thermodynamic
properties of water. Gibbs_Te st1 demonstrates the use of the Gibbs module by creating
.ogi files (output files used by the Pic program) from .igi files (input files created by the
Equilibrium Module). Remember to follow the three steps given in Chapter 35.1 in order to
test the examples.
Figure 1: Screenshots of the HSCtest1 and HSCtest2 VB programs (uses HSC5.dll).

Figure 2: Screenshot of the Gibbs_Test1 VB program (uses Gibbs5.dll).
The source code of HSCTest1 is the following:

Dim HSC As New HSC5.HSC ' Initialize dll reference
Priv ate Sub ButCalc_Click()
' This ev ent calculates the outputs according to the inputs.

' It uses the file HSC5.dll and its subroutines to read the
' HSC database.
' Company : Outokumpu Research Oy
' Product: HSC Chemistry 5.1
' Author: Peter Björklund
' Last Changed: 19.9.2002
' Specify inputs

spec$ = Trim$(tx tIn1.Tex t) ' Input species
T# = Val(tx tIn2.Tex t) ' Input temperature v alue
' Specify units

unitT$ = cmbT.Tex t
unitE$ = cmbE.Tex t
' Change units

lblUnitT.Caption = unitT$
lblUnitE1.Caption = unitE$ & "/kmol" & unitT$
lblUnitE2.Caption = unitE$ & "/kmol"
lblUnitE3.Caption = unitE$ & "/kmol" & unitT$
lblUnitE4.Caption = unitE$ & "/kmol"
' Call dll subroutines

Call HSC.Units(unitT$, "MPa", unitE$) ' Select unit
Call HSC.CP(spec$, T#, CP#) ' Cp-v alue
Call HSC.H(spec$, T#, H#) ' Enthalpy
Call HSC.S(spec$, T#, S#) ' Entropy
Call HSC.G(spec$, T#, G#) ' Gibbs energy
' Print output


CP# = CP# / 1000 ' k(unit) => M(unit)
S# = S# / 1000 ' k(unit) => M(unit)
tx tOut1.Tex t = Format(CP#, "0.000")
tx tOut2.Tex t = Format(H#, "0.000")
tx tOut3.Tex t = Format(S#, "0.000")
tx tOut4.Tex t = Format(G#, "0.000")
End Sub
Priv ate Sub butEx it_Click()
End
End Sub
Priv ate Sub Form_Load()
cmbT.ListIndex = 0 ' Default temperature unit

cmbE.ListIndex = 0 ' Default energy unit
End Sub
3 Description of available Subroutines
The optional argument ErrorFlag can be used for checking whether the species in the argument was
found from the HSC database. If ErrorFlag is > 0 then the species was not found from the database.
For the water subroutines it is up to the user to specify the correct phase according to the T and p
arguments. If the phase is not correct the return values will simply be extrapolated from the given phase.
The Gibbs5.dll file includes the following subroutine:
Sub CalculateIgi(igi_file As String, ogi_file As String, _

guessFlag As Integer, fastFlag As Integer, dampenFlag As Integer, _
time As Double)
• Creates the output file ogi_file$ using the specified flags (true or false) and returns the calculation
time in time.
The HSC5.dll file includes the following subroutines:
General Subs
Sub BAL(Equation As String, Balanced As String)

• Balances equation
Sub Units(Tunit As String, Punit As String, Eunit As String)

• Changes units: “C” or ” K”, “bar” or “MPa”, “Mcal” or “MJ” or “kWh”
Sub Species(DBNo As Double, DBPos As Double, Species As String)

• Returns Species in database DBNo and position DBPos

Species Subs
Sub H(Species As String, T As Double, H As Double, Optional ErrorFlag as Integer)

• Returns the enthalpy (per kmol) of the species at T (temperature).
Sub S(Species As String, T As Double, S As Double, Optional ErrorFlag as Integer)

• Returns the entropy (per Mmol) of the species at T.
Sub CP(Species As String, T As Double, CP As Double, Optional ErrorFlag as Integer)

• Returns the heat cap. (per Mmol) of the species at T.
Sub G(Species As String, T As Double, G As Double, Optional ErrorFlag as Integer)

• Returns the Gibbs energy (per kmol) of the species at T.
Sub HKG(Species As String, T As Double, HKG As Double, Optional ErrorFlag as Integer)

• Returns the enthalpy (per kg) of the species at T.
Sub HCM(Species As String, T As Double, HCM As Double, Optional ErrorFlag as Integer)

• Returns the enthalpy (per Nm³) of the species at T.
Sub HLat(Species As String, T As Double, HLat As Double, Optional ErrorFlag as Integer)

• Returns the latent enthalpy (per kmol) of the species at T.
Reaction Equation Subs
Sub H(Equation As String, T As Double, H As Double, Optional ErrorFlag as Integer)

• Returns the enthalpy (per kmol) of the reaction equation at T.
Sub S(Equation As String, T As Double, S As Double, Optional ErrorFlag as Integer)

• Returns the entropy (per Mmol) of the reaction equation at T.
Sub CP(Equation As String, T As Double, CP As Double, Optional ErrorFlag as Integer)

• Returns the heat cap. diff. (per Mmol) of the reaction equation at T.
Sub G(Equation As String, T As Double, G As Double, Optional ErrorFlag as Integer)

• Returns the Gibbs energy (per kmol) of the reaction equation at T.
Sub HKG(Equation As String, T As Double, HKG As Double, Optional ErrorFlag as Integer)

• Returns the enthalpy (per kg) of the reaction equation at T.
Sub K(Equation As String, T As Double, K As Double, Optional ErrorFlag as Integer)

• Returns the equilibrium constant of the reaction equation at T.
Iteration (reverse) Subs
Sub TatCP(Species As String, CP As Double, TatCP As Double)

• Returns the temperature of the species at given enthalpy (per kmol).
Sub TatG(Species As String, G As Double, TatG As Double)

• Returns the temperature of the species at given entropy (per Mmol).

Sub TatH(Species As String, H As Double, TatH As Double)
• Returns the temperature of the species at given heat cap. (per Mmol).
Sub TatS(Species As String, S As Double, TatS As Double)

• Returns the temperature of the species at given Gibbs en. (per kmol).
Water Subs
Sub Critical_H2O(T As Double, P As Double)

• Returns the temperature and pressure of the critical point.
Sub Triple_H2O(T As Double, P As Double)

• Returns the temperature and pressure of the triple point.
Sub H_H2O(T As Double, P As Double, Ph As String, H As Double, Optional ErrorFlag as Integer)

• Returns the enthalpy of water at P, T and phase (“g”, “l” , “s”).
Sub HKG_H2O(T As Double, P As Double, Ph As String, H As Double, Optional ErrorFlag as Integer)

• Returns the enthalpy of water (per kg) at P, T and phase.
Sub S_H2O(T As Double, P As Double, Ph As String, S As Double, Optional ErrorFlag as Integer)

• Returns the entropy of water at P, T and phase (“g”, “l” , “s”).
Sub SKG_H2O(T As Double, P As Double, Ph As String, S As Double, Optional ErrorFlag as Integer)

• Returns the entropy of water (per kg) at P, T and phase.
Sub CP_H2O(T As Double, P As Double, Ph As String, CP As Double, Optional ErrorFlag as Integer)

• Returns the heat cap. of water at P, T and phase (“g”, “l” , “s”).
Sub CPKG_H2O(T As Double, P As Double, Ph As String, CP As Double, Optional ErrorFlag as Integer)

• Returns the heat cap. of water (per kg) at P, T and phase (“g”, “l” , “s”).
Sub G_H2O(T As Double, P As Double, Ph As String, G As Double, Optional ErrorFlag as Integer)

• Returns the Gibbs en. of water at P, T and phase (“g”, “l” , “s”).
Sub GKG_H2O(T As Double, P As Double, Ph As String, G As Double, Optional ErrorFlag as Integer)

• Returns the Gibbs en. of water (per kg) at P, T and phase (“g”, “l” , “s”).
Temperature-independent Subs
Sub Struct(Species As String, Struct As String)

• Returns the structural formula of the species.
Sub ChName(Species As String, ChName As String)

• Returns the chemical name of the species.
Sub CoName(Species As String, CoName As String)

• Returns the common name of the species.
Sub CAN(Species As String, CAN As String)


• Returns the chemical abstract number of the species.
Sub MW(Species As String, MW As Double)

• Returns the molecular weight of the species.
Sub De(Species As String, De As Double)

• Returns the density of the species.
Sub MP(Species As String, MP As Double)

• Returns the melting point of the species.
Sub BP(Species As String, BP As Double)

• Returns the boiling point of the species.
Sub Phase(Species As String, Phase As String)

• Returns the phase of the species.
Sub RGBColor(Species As String, RGBColor As String)

• Returns the RGB color of the species.
Sub REF(Species As String, REF As String)

• Returns the database reference of the species.
Sub REL(Species As String, REL As Double)

• Returns the reliability class of the species.
Percentage Subs
Sub MOLP(Species1 As String, Species2 As String, MOLP As Double)

• Returns the mol-% of Species1 in Species2
Sub WTP(Species1 As String, Species2 As String, WTP As Double)

• Returns the wt-% of Species1 in Species2.
Cp-data Subs
Sub CPFUNCTION(Species As String, CPFUNCTION As String)

• Returns the heat capacity pol. func. (as a string) of the given species.
Sub CPA(Species As String, CPA As Double)

• Returns the A-coefficient (as a number) of the c p-function.
Sub CPB(Species As String, CPB As Double)

• Returns the B-coefficient (as a number) of the cp-function.
Sub CPC(Species As String, CPC As Double)

• Returns the C-coefficient (as a number) of the cp-function.
Sub CPD(Species As String, CPD As Double)

• Returns the D-coefficient (as a number) of the c p-function.
Sub TMAX(Species As String, TMAX As Double)

• Returns the maximum valid temperature of the cp-function.
Sub TMIN(Species As String, TMIN As Double)

• Returns the minimum valid temperature of the cp-function.
Antti Roine, Jarkko-Mansikka-aho August 14, 2006

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Tuukka Kotiranta, Peter Bjorklund
Pertti Lamberg
HSC Chemistry® 6.0 User's Guide

Volume 2 / 2
Sim Flowsheet Module

Antti Roine 06120-ORC-T
Information Service
P.O. Box 60
FIN - 28101 PORI, FINLAND
Fax: +358 - 2 - 626 - 5310

Tel: +358 - 2 - 626 - 6111

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Appendices
HSC-Sim development team
Appendices
Related reports 02103-ORC-T, 99079-ORC-T, 97036-ORC-T, 94027-ORC-T

Project number 240810, 240910
Keywords Thermodynamics, Thermochemistry
ISBN-13: 978-952-9507-12-2
ISBN-10: 952-9507-12-7

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ABSTRACT
The traditional HSC Chemistry software was designed for various simulation and modeling
applications based on independent chemical reactions and process units. The new HSC-Sim
module expands the possibilities for applying HSC Chemistry to a whole process made up of
several process units and streams.
The HSC-Sim module consists of graphical flowsheet and spreadsheet type process unit
models. The custom-made variable list makes it possible to create many different types of
process models in chemistry, metallurgy, mineralogy, economics, etc. Each process unit is
actually one Excel file. The HSC AddIn functions may be used to turn these independent
calculation units into small HSC engines for thermodynamic applications.
The process model created using the HSC-Sim flowsheet module consists of one FLS file
with a graphical flowsheet and one XLS file for each process unit. These process files are
always saved in the same file folder. The XLS files contain the calculation model of the unit,
and these XLS-models may be reused in the other processes.
The target in HSC-Sim development has been to create a simple but still powerful simulation
tool for the ordinary process engineer. If the user can use traditional HSC Chemistry and
Excel software then he/she should be able to use also the new HSC-Sim module. The
HSC-Sim module also has high quality and versatile graphics capabilities and visualization.
For example, HSC-Sim module has built-in "Sankey diagrams" to visualize the distribution of
the elements and process variables.
The HSC-Sim module also contains other sub modules besides the HSC-Sim Flowsheet
module: however, this manual focuses only on the HSC-Sim Flowsheet module.

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CONTENTS
40 HSC-Sim Flowshe e t module 5
40.1 Brie f Ste p-by-Ste p Start-up 7
40.2 HSC-Sim Basic Se ttings and Ope rations 9
40.2.1 HSC-Sim Specifications 9
40.2.2 Graphical Flowsheet Settings 11
40.2.3 Calculation Model Editor Settings 12
40.2.4 HSC AddIn Functions 13
40.2.5 Specification of the Drawing Area 14
40.2.6 Creating a Process Folder 14
40.2.7 Saving Files 15
40.3 Graphical Use r Inte rface 15
40.3.1 Toolbars and Menus 17
40.3.2 Properties / Process Toolbar 18
40.3.3 Properties / Drawing Toolbar 19
40.3.4 Properties / Units Toolbar 20
40.3.5 Drawing Toolbar (In Draw menu) 22
40.3.6 Rotate / Flip Toolbar (in Arrange menu) 23
40.3.7 Order Toolbar (in Arrange menu) 23
40.3.8 Combiner Toolbar (in Arrange menu) 23
40.3.9 Size Toolbar (in Arrange menu) 23
40.3.10 Alignment Toolbar (in Arrange menu) 24
40.3.11 Notes Toolbar 24
40.3.12 File Links Toolbar 24
40.3.13 Standard Toolbar (in File and Edit menu) 24
40.3.14 Tools Menu Selection 25
40.4 Drawing Flowshe e ts 27
40.4.1 Editing of Drawing Objects 31
40.4.2 Editing Unit Images 32
40.5 Cre ating a Variable List 33
40.6 Cre ating Calculation Mode ls 39
40.6.1 Creating Distribution Model 40
40.6.2 Creating Reaction Equation Models 42
40.6.3 Creating Equilibrium Models 45
40.7 Spe cifying Raw Mate rials 47
40.8 Running Simulation 49
40.8.1 Visualize Settings Dialog 53
40.9 Printing 54
40.10 Ele me nt Balance s of the Units 55
40.11 List of Stre ams - Variable Balance s 56
40.12 Cre ating Controls 57
40.13 Re mote Control - Sce narios - Se nsitivity 60
40.14 Cre ating Re ports 61
40.15 Global Ce ll Editor 62
40.16 Calculation Mode l Appe arance and Format 63
40.17 De nsity of Aque ous Solutions 64
40.18 Password Prote ction of Units 67
40.19 Data Re conciliation 68
27. Exce l Add-In Functions

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40. HSC-Sim Flowsheet module
Fig. 1: HSC-Sim main user interface with flowsheet drawing and process calculation tools.
Most of the HSC Chemistry modules have been made for the simulation of chemical
reactions in a single process unit. The new HSC-Sim module extends the scope to a whole
process made up of several process units. The Sim module uses two main user interfaces: a
graphical flowsheet interface (Fig. 1) and behind each process unit a spreadsheet type Model
Editor interface (Fig. 2). The basic ideas of the Sim module are quite simple:
1. The process consists of the process units which have been connected to each other with
streams, Fig. 1. The flowsheet is saved in one FLS file.
2. Behind each process unit there is a "small HSC engine" made of an Excel emulator with
HSC AddIn functions or other DLL-based tools, Fig. 2. Nearly any types of model may
be created using the Excel emulator, such as chemical, economic, biological, etc. These
models may be reused because they are saved as independent XLS files.
3. The process unit calculation models are independent of each other.
4. The streams on the graphical flowsheet specify the material (= data and information)
transfer and data exchange between the process units (FLS file).
5. There are two modes in the HSC-Sim module: De signe r Mode and Run Mode .
6. The user draws and edits the flowsheet in the Designer mode, which is very similar to
any other vector drawing program. In the Run (calculation) mode the graphical
flowsheet is locked.

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Fig. 2: HSC-Sim Calculation Model Editor. Output sheet shows the Output streams of
Process Unit 2. Short variable list has been specified. Sync modes: A) Gre e n: variable list
within all units synchronized; B) Ye llow: variable list within one unit synchronized; C) Re d:
synchronization OFF.
7. The Calculation Module consists at least of Input, Output, Dist, Controls and Model
sheets, Fig. 2. The Input sheet contains the input streams, the Output sheet the output
streams, the Dist sheet possible distribution values, the Controls sheet possible controls,
and the Model sheet possible calculation models. One stream always takes one column.
The user can also add 251 sheets of his own if necessary, but these must be located
after the model sheet. The format and syntax of the first four default sheets is partially
fixed. The formats of your own sheets are free.
8. In Run mode the calculation procedure recalculates units one by one downstream and
after each calculation transfers the data from the source unit Output sheet to the
destination unit Input sheet, according to the streams on the graphical flowsheet, Fig. 1.
The calculation procedure transfers the values into the Input sheet stream columns,
therefore you cannot use formulas in these columns, and i.e. the calculation procedure
cuts any possible circular references between the units.
9. The free-form and adaptable variable list makes the HSC-Sim module extremely flexible
for any kind of simulation models in chemistry, electronics, economics, biology, etc., Fig.
3.
10. The user models may be created using familiar Excel formulas and cell references. It is
not necessary to learn some cumbersome macro languages. The HSC AddIn functions
bring thermodynamics to these models. In future the range of AddIn functions and other
DLL-tools will be expanded.
The template Model.XLS file in the HSC6 folder may be used to specify the default font,
number, color and other visual formats of the model. Just like changing the style of the mobile
phone by using different covers, Fig. 2.

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40.1 Brief Step-by-Step Start-up
Fig. 3: Variable Type Editor. Variable type A has been selected for the active row.
The Sim module consists of versatile flowsheet drawing and process calculation tools. The
use of the HSC-Sim module should be relatively easy because A) the drawing tools are quite
similar to any other vector drawing program, B) the calculation model tools are quite similar
to the Excel spreadsheet program procedures, formula syntax and options. The HSC-Sim
development target has been to create a simple yet powerful simulation tool for the ordinary
process engineer.
The HSC-Sim process model consists of the flowsheet and model files. These files are
always saved in the same file folder, usually with the same name as the name of the process,
see Chapter 40.2.7 Saving Files.
The following brief step-by-step list gives an idea of the main working procedures when a
new process model is created using the HSC-Sim module:
1. Select default measure units using Measure Units dialog, see Chapter 40.5, Fig. 37.
2. Draw one unit on the flowsheet, Fig. 1, using Unit tool, Fig. 4, and open Model Editor by
double clicking this unit, Fig. 2, see Chapter 40.4 Drawing Flowsheets.
3. Specify the process Variable list either on the Input or Output sheet, Fig. 2. The Sync
option at the bottom must be on "Gre e n", because it will transfer this list to all units and
sheets. See Chapter 40.5, Creating Variable List. The Sync mode "Ye llow" means that

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the variable list is synchronized only within one unit. The Sync mode "Re d" puts the
synchronization totally off.
4. Specify variable type using the Variable Type editor, Fig. 3. You may open Type editor
by clicking the Type label at the bottom, Fig. 2. Variable type in column A is needed only
by the model and formula wizards but not by the calculation procedure. In principle, if
you do not use these wizards, then you do not need to specify variable types. Note that
you may also manually write the type flag in column A. Fig. 2.
Fig. 4: The most important drawing tools: Unit, Stre am, Se le ct, Edit Stre am Points and at
the bottom the most important drawing options of Flowsheet form, Fig. 1.
5. When you have specified all the variables and types then you may press the "Create
Formulas All" button in Type Editor, Fig. 3. This will create default formulas in column
D, Fig. 2. See Chapter 40.5, Creating Variable List.
6. Draw the units and streams using the Unit and Stream drawing tools in the Designer
mode, see Chapter 40.4. The icons of the most important drawing tools are shown in
Fig. 4. They usually locate at the top left corner of the user interface, Fig. 1.
Note that the most important option tools may be controlled at the bottom of a flowsheet
form, Fig. 1. The Snap to Grid option makes it easier to draw professional-looking
flowsheets. Pe rsist Tool remembers the last used drawing tool.
7. Save the flowsheet using the File, Save As dialog, Fig. 1. It is recommended to create a
separate file folder for each process. See Chapters 40.3 and 40.4 for details. It is a good
idea to use the process name also as the folder name. The Sim module saves all the files
in this same folder. This file-set consists of one FLS file with graphics and one XLS file
of each unit.
XLS files use the Excel 2000 file format. FLS files can only be opened with the Sim
module, but you may export these in other formats. Note: Save the process regularly
using a different folder name or make backups of this folder using Windows My
Computer. This makes it possible to recover the process if there is an error. See
Chapter 40.2.7.
8. Create the process models using the HSC-Sim Excel editor and wizards onto the Model
sheet. These wizards automatically connect the Input streams with the Output Streams
using some Excel type formulas and cell references. Note that you may also manually
create these models. See Chapter 40.6, Creating Calculation Models.
9. Start Run mode and carry out the simulation, see Chapter 40.8, Running Simulation.
10. In Run mode select a variable and press Visualize, and this will show the distributions in
graphical format. Chapter 40.8.
11. Draw, print or copy-paste the results to other Windows applications using Run mode
tools. Chapter 40.9.
The following chapters will give more detailed description of these steps. If you are planning
to use HSC-Sim, please read at least Chapters 40.1, 40.2.7, 40.4, 40.5, 40.6, 40.7 and 40.8.

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But of course by reading all the chapters you may make your life easier in the long run.

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40.2 HSC-Sim Basic Settings and Operations
This chapter gives information about the general settings of the Sim module. Usually you may
start using Sim without changing the default values, but gradually you may want to change the
default settings. HSC-Sim remembers the last selected settings using the files:
C:\HSC6\Sim_FlowSheet1.INI Drawing settings
C:\HSC6\Sim_FlowSheet2.INI Drawing interface settings
You may delete these files if you want to recover the original settings. If you have some
problems with HSC-Sim operation then deleting of these files and restarting may help.
40.2.1 HSC-Sim Specifications

The HSC-Sim Flowsheet module works on Windows 98, Me, NT, 2000 and XP computers.
However, a fast processor (Pentium 4 or AMD 64, > 2 GHz) with at least 256 MB of
memory will smooth out operation a lot compared with, for example, some 500 MHz
processor with small memory.
The maximum drawing area is currently limited to 1000 * 1000 mm, because some bitmap
saving routines may become slow with large drawings. However, this limitation is easily
removed. The dimensions and location units are always in millimeters.
The X- and Y- coordinates start from the top left corner and end at the bottom right corner of
the drawing area. The printing area does not depend on the size of the drawing area, and any
selection may be printed and zoomed freely to fit on A4, A3, etc.
The maximum number of drawing objects depends on the memory and processor capacity
available. A normal PC can easily handle some 1000 objects. Note that gradient- based
object fill styles consume a lot of processor capacity. In some cases speed may be improved
by replacing vector-based (EMF) unit objects with gradient fill style with bitmap unit objects
(JPG). The speed also depends on the settings, see Chapter 43.2.
Up to 32000 variables and data may be connected to each drawing object.
Flowsheet uses its own file format which uses the suffix *.FLS. This format saves all the
available flowsheet properties. However, many other picture file formats may also be used to
export and import pictures into the Flowsheet module.
Export file formats:
Import File Formats:
AutoCAD DXF Interchange R12-14 (*.DXF)
Windows Enhanced Metafile (*.EMF)
Windows Metafile (*.WMF)
CompuServe PNG (*.PNG)
CompuServe bitmap (*.GIF)
JPEG bitmap (*.JPG)
Windows bitmap (*.BMP)
Windows DIB (*.DIB)
AutoCAD DXF Interchange R14 (*.DXF)
Windows Enhanced Metafile (*.EMF)
Windows Metafile (*.WMF)
CompuServe PNG (*.PNG)
JPEG bitmap (*.JPG)
(Not Progressive JPEG)
Windows bitmap (*.BMP)

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The calculation unit mode l limits are the same as in MS Exce l 2000:
- Sheets 256
- Columns 256
- Rows 65536
HSC-Sim usually retains VBA macros in XLS files, but it does not run these macros.
However, if you insert/delete sheets or rename sheets then VBA macros will be deleted.

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40.2.2 Graphical Flowsheet Settings
Fig. 5. Flowsheet settings dialog. Open this dialog using "View, Options…" selection.
The Flowsheet module automatically saves some 60 drawing settings, i.e. the program
remembers the last settings you have used. However, with the View, Options selection you
may manually change some of these default settings to meet your needs and preferences, see
Fig. 5. The following settings are available:
Ge ne ral Se ttings:
Marke r Size Selection handle size (default 4 points)
HitSe nsitivity Mouse pointer object detection distance (default 4 points)
Re paint Buffered (hidden refresh, smoother, slow)
Normal (visible refresh, flicker, fast)
Move Mode Real Time (whole object moves, slow)
Outline (object frame moves, fast)
Ope nDraw Full (all objects visible, slow)
Container (internal object edit possible, not in use)
Hatched (only active object visible, fast)
ScrollBars Auto (X and Y scroll bars visible if needed)
None (no scroll bars, movement with right mouse button)
De fault Font Font name, style, size, color
JPG Quality Compression percentage (only for saving in JPG format)

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Confirm De le te Ask a confirmation for delete operations.
TabStyle Tab location in Properties Toolbar
Undo Ste ps Not in use

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Grid Se ttings:
GridStyle Dot (dot is used as grid marker)
Solid Line
Dotted line
Dashed Line
GridShow None (no grid)
Under (grid under objects)
Above (grid above objects)
GridColor Color of grid points
GridWidth Distance between grid points (default 2 mm)
GridHe ight Distance between grid points (default 2 mm)
SnapToGrid Align drawing object to grid
The Flowsheet module automatically saves Flowsheet module settings in two files:
C:\HSC6\Sim_FlowShe e t1.INI Drawing settings
C:\HSC6\Sim_FlowShe e t2.INI Drawing interface settings
The folder depends on your installation selections, these files exist in the same folder as
Sim.EXE. If you delete these files in the C:\HSC6 folder then the Flowsheet module uses old
default settings and automatically recreates these INI files.
40.2.3 Calculation Model Editor Settings
Fig. 6. Traffic lights, i.e. Sync modes: A) Gre e n: variable list within all units synchronized;
B) Ye llow: variable list within one unit synchronized; C) Re d: synchronization OFF.
The Calculation Model Editor has quite similar basic settings to MS Excel. You will find these
from "Format" and "Tools, Options" menus. However, the Sync setting is different and very
important. The "Gre e n" mode is the default and this means that all variable list changes
within all units (Input, Output, Dist sheets) are synchronized. Please use Green mode
normally. However, if you import models you may use "Ye llow" sync mode to arrange the
variable list in the same order as in the other units. "Vie w List Variable s…" shows the
default variable list. In "Re d" mode you may edit sheets just like in Excel and without any
locks; please be careful, in Red mode you may easily mess up the variable list.
The Template Model.XLS file contains all the default format settings of the calculation
models. You may change format settings using MS Excel and by resaving this file back in the
original location C:\HSC6\Te mplate Mode l.XLS
Note: Do not insert or delete rows or columns in Input, Output, Dist or Controls sheets!

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40.2.4 HSC AddIn Functions
Fig. 7. HSC AddIn function selection and activation dialog
HSC AddIn functions are made for MS Excel and HSC-Sim Calculation modules, i.e. these
same functions are available in both environments. HSC AddIn functions contain mainly
chemical and thermodynamical functions which read the necessary data from the HSC
thermochemical database.
All HSC-Sim AddIn functions are located in HSC6.DLL. HSC-Sim uses this file directly but
MS Excel uses it through the HSC6.XLL interface. This interface is better than the old HSC
Chemistry 5 HSC5.XLA interface, because the HSC6.XLL file path is not saved in Excel
files in the same way as the HSC5.XLA file path. This makes HSC6.DLL AddIn-function
files "mobile" and compatible.
You need to activate these functions only once using the HSC-Sim Calculation Module menu
selection "Tools, AddIn Functions…". Please select only the new HSC6 AddIn functions and
press OK, Fig. 7. If HSC6 is missing from the list then browse:
C:\HSC6\HSC6.DLL
You must activate these functions in the same way as in MS Excel. If HSC6 AddIn is
missing from the list then browse (path may vary depending on original installation):
C:\HSC6\AddIns\HSC6.XLL
Using these AddIn functions you may create sophisticated thermochemical calculation
models in your process units. See examples in: C:\HSC6\AddIns\AddInSample .XLS.
You will find a much more detailed description of these functions in Chapter "27 Exce l
Add-Ins.DOC" of HSC Help.

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40.2.5 Specification of the Drawing Area
Fig. 8: New Process dialog clears and specifies the new flowsheet drawing area.
The first step when creating a new process is the specification of the Flowsheet drawing
canvas area. This is done using the Menu selection "File , Ne w…". This selection opens the
drawing canvas area dialog, Fig. 8.
Usually the default canvas area 500 * 500 mm is just OK, because in the flowsheet printing
stage any size of the drawing may be fitted or zoomed to A4 or any other size of paper. You
can change the drawing canvas area later on using the menu selection "View, Drawing
Area…". The Resolution selection may be used to increase or decrease the number of point
per mm, the default 56 points is usually enough to create nice flowsheets.
40.2.6 Creating a Process Folder
Fig. 9: The "Create New Folder" tool of the "File , Save As…" dialog may be used to create
a new folder for the new process files.
Usually one HSC-Sim process consists of several files which are located in the same file
folder. It is recommended to specify some name for the process at the very beginning,
because this process name may be used as the name of the new folder, for example,

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"Process Sample" is the proper process name.
Menu selection "File, Save As…" and the "Create New Folder" tool may be used to create a
new folder, Fig. 9. This new folder may be located in any place on your hard disk, but the
default path is: C:\HSC6\Sim\Flowsheet\
You may also create this new folder using the Windows "My Computer" "File, New,
Folder…" Dialog.
40.2.7 Saving Files
Fig. 10: HSC-Sim typical process files shown by Windows "My Computer".
The HSC-Sim based process model consists of several files which are always saved in the
same file folder. The structure of the HSC-Sim process model is also visible in the process
files, Fig. 10. The following steps are recommended:
1. Create a separate folder for each process, use the same name for the folder and process.
See previous Chapter 40.2.6.
2. The "File Save" dialog automatically saves all process files in this folder.
De scription of the proce ss file s:
- FLS files:Contain graphical flowsheet and stream data, etc.
FLS files use Sim’s own file format. However, Sim may also import and
export other graphics file formats.
- XLS files: Contain Unit Models. The name must be exactly the same as in the
graphical flowsheet, otherwise the XLS file will not be identified as the
unit file. These files may be password-protected.
XLS files use MS Excel 2000 file format.
- Report.XLS file Contain possible result, stream, balance and remote control data.
The process folder may also contain many other files which may be linked to the graphical
flowsheet, such as pictures, Word or Excel files.

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It is recommended to save the process regularly using a different folder name or to make
backups of this folder using Windows My Computer. This makes it possible to return to the
earlier versions of the process if something unexpected happens.
Note also that you may import the Unit Model files to the other process models.

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40.3 Graphical User Interface
This chapter gives some basic ideas of HSC-Sim flowsheet operation principles and keyboard
and mouse procedures. You may start the Flowsheet module by pressing Flowsheet in the
HSC-Sim main menu. The Flowsheet module works in quite a similar way to other object-based
drawing applications such as iGraph Flowcharter, AutoCAD LT, etc.
Fig. 11. View Toolbars menu. Toolbars selection shows or hides the Toolbars in the same way
as in MS Excel or Word. You may move and resize toolbars with the mouse.
The following list specifies the main ideas of the operation procedures:
1. Vie w Toolbars (Fig. 11)
You may open View ToolBar dialog by selecting View, ToolBars from the menu. This
dialog makes it possible to show or hide toolbars. The user may freely move and view/hide
Toolbars in the same way as in MS Excel or Word. Toolbars are described in more detail in
the next Chapter 40.13.
2. Snap to Grid (Fig. 1, 2 Bottom right)
This setting helps to draw aligned diagrams. Note that you may reverse the Snap to Grid
setting temporarily by holding down Alt Gr.
3. Pe rsist Tool (Fig. 1, 2 Bottom right)
This setting keeps the last selected tool. This is useful when you draw several similar
objects.
4. Mouse Tooltip Te xt
When you keep the mouse over the control you will get a short description of the tool.
5. Drawing of Stre ams, Polyline s, e tc.
The first mouse click starts drawing, the second (etc.) makes a corner and a double click or
Ente r stops drawing. Backspace may be used to remove the last segment, Esc stops
drawing to the last segment.
6. Drawing of othe r Drawing Obje cts
Drawing starts when pressing the left mouse button down and stops when you release it. A
double click on Se le ct tool opens the Unit Model Editor.
7. Obje ct Type (in Properties, Process Tab)
The Type property lets you set any drawing object to Unit or Stream.

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8. Name ID (in Properties, Process Tab)
If you want to connect Flowsheet to the calculation model then the NameID of Unit and
Stream objects must be exactly the same as in the calculation model.
9. Mouse Right Button
When you hold the right button down you may move the diagram.
10. Mouse Whe e l
The Wheel moves the drawing up/down. If you hold Alt Gr down then Zoom is activated.
Active Ke ys in Drawing Mode
Mouse le ft ke y Down - Starts drawing. Up – Ends drawing objects.

Ente r Ends drawing of stream and polyline objects.
Esc Removes the last drawing object and Ends drawing objects.
BackSpace Removes last segment of stream and polyline objects.
Space Bar Starts and ends edit mode of streams and polylines.
Alt Gr Down - Temporarily reverses Snap to Grid mode.
Active Ke ys in Obje ct Edit Mode (Chapte r 43.5.14)
Mouse le ft ke y May be used to select object.

BackSpace Removes points if mouse left key is down.
Mouse le ft double click Opens Object Calculation Model.
Automatic Se tting Me mory

The Flowsheet always remembers the last user interface setting which you have used. These
settings will be saved in INI files, see chapter 40.2.

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40.3.1 Toolbars and Menus
The most important drawing and process tools may be found on the toolbars. Toolbars may
be opened and hidden with the View, Toolbars dialog, see Fig. 11. The user may hide all
Toolbars except the Properties toolbar, because it is nearly always needed. Most Toolbar
options can also be found from the main menu, Fig. 12.
Fig. 12. Flowsheet main menu options.
Fig. 13. Flowsheet main menu File, Edit and View options.
The main menu File selection contains the normal New, Open and Save selections as well as
Printing dialog with settings and print preview, Fig. 13. Note that "Save Process…" dialog
saves all the process files (FLS and XLS) into the same folder.
The Edit selection contains the normal editing options, Fig. 13. Note that most options work
also with multiselection. The Undo option is also available, which makes it possible to go back
several steps. However, it is recommended to save the flowsheet with different names,
allowing recovery of the drawing if MS Windows operation fails.

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40.3.2 Properties / Process Toolbar
Fig. 14. Properties / Process Toolbar. Unit 1 is selected in the left toolbar and Stream 2 is
selected in the right toolbar. The stream comes from Unit 1 unit and goes to Unit 2. The
process toolbar shows all the possible properties at a glance.
The Properties toolbar is always visible in the Flowsheet Design mode with three tabs. The
Proce ss tabs specify the links to the model:
− Obje ct: Stream / Unit / Drawing object
− Name ID: Unique name for stream or unit.
− Mode l: Name of the unit file. The name is always the same as NameID.
− Type : Type of the unit or stream (reserved for future use).
− Source : Specify source unit of stream.
− De stination: Specify destination unit of the stream.
− De claration: Any additional information in text format (default = empty).
− Se que nce : Calculation sequence of the units (not required).
− Active : Link to calculation module on/off
The process tab also shows all available units and streams in the Flowsheet or in the active
Process Model in the Calculation module. This list may be used to locate the unit and stream
names and the source and destination units for the streams.
The Simulation Mode uses NameID to link the units and streams in the calculation module.
Therefore the NameID property must be the same in the Flowsheet and Process model.

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IMPORTANT: Please press Enter after you change data in the Toolbar cell. This is not
always needed but it will ensure that the data really is taken into account.

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40.3.3 Properties / Drawing Toolbar
Fig. 15. Drawing Toolbar with Unit (Rectangle) and Stream (Polyline) object selected. The
properties may be listed in alphabetical or categorized order.
The Drawing Toolbar shows all possible graphical properties of the selected object. The list
of available properties depends on the object type. This enables you to see all the possible
properties at a glance.
The Drawing properties have no effect on the possible process or distribution calculations, i.e.
they are only used to improve the illustrative and cosmetic effect of the flowsheet.
The Drawing toolbar may also be used to relocate and resize the objects using numerical
values in millimeters.
Multiselection of the same type of objects may be used to change the properties of all the
selected objects at the same time.
NOTE: The Flowsheet module has an extensive selection of drawing properties and dialogs.
Most of them are very easy to use and they operate in a similar way to many other drawing
applications. Therefore these properties have not been described here.
IMPORTANT: Please press Enter after you change data in the Toolbar cell. This is not

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always needed but it will ensure that the data really is taken into account.

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40.3.4 Properties / Units Toolbar
Fig. 16. Properties Toolbar with Units tab selected. The thumbnail pictures may be listed with or
without the unit names.
The Units Toolbar, Fig. 16, contains the available unit images which may be used in the process
flowsheet instead of simple rectangular unit objects. The unit images make the flowsheet more
illustrative, in other respects they work in exactly the same manner as the normal units.
The user may select any unit image from the Units Toolbar and draw the image in the drawing
area in the same way as the simple rectangle unit objects. Drag and Drop is another way to
add unit objects to the drawing area, and this will also maintain the original image height/width
ratio.
The available unit image collection depends on which Unit image folder is active. The Unit
Toolbar reads all image files from this active folder. You may change this folder by selecting
Browse. Press the round arrow button and select Browse. The unit images may exist, for
example, in the following folders:
C:\HSC6\Sim\Units\Ferro\
C:\HSC6\Sim\Units\Hydro-3D\
C:\HSC6\Sim\Units\Smelter-2D\
C:\HSC6\Sim\Units\Smelter-3D\
etc.

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The next time you start the Flowsheet module it will remember the last active Unit folder. You
may add your own unit images into this or any other folder. If you would like a border around the
unit image, please draw the border in the unit image. The following valid file formats must be
used:
Ve ctor formats (Good resize features):
EMF – Windows Enhanced Metafile (Recommended)
WMF – Windows Metafile (old format)
Note that a large number of color gradients may make the image slow to access and move.
Bitmap formats (Fast, resize difficult, fixed size looks best)
JPG – JPEG format (small file, common). Note: Progressive JPEG format does not work.
BMP – Windows bitmap (large file, common)
Color gradients have no effect on the speed in bitmap format.
Unit images may be drawn using the Flowsheet module or using any drawing application which
saves files using the valid file formats. You may also replace the simple rectangle unit objects
with the unit images using the “Tools, Change Picture…” dialog.
Create New Unit Image

You may create new unit images using normal HSC-Sim drawing tools and save any selected
image as unit. To create a new unit image follow these steps:
1. Draw a unit image in the size you would like to be the default size. Of course you may draw
in large size and reduce the size before the saving stage.
2. Select unit drawing objects with the Select tool.
3. Open the “Tool, Save Selection To Unit” dialog and give the default name for the unit, then
save the unit image in the folder where you want it to be. The unit file name will be used as
the unit name in the Flowsheet. The EMF file format makes it possible to resize the unit
image easily. Bitmap formats may sometimes be faster to use.
4. If you save the unit file in the same folder which is already open in the Unit toolbar, then the
list will be refreshed automatically.
Note that you may create unit images in any drawing application which saves image files in
EMF, JPG or BMP format. Large size bitmap files, for example, 3000*2000 pixels may be used
but they will slow down the operating speed. Usually small 80*60 pixel unit images are OK.

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40.3.5 Drawing Toolbar (In Draw menu)
1 2 3 4 5 6 7 8 9 10 11 12 13
14 15 16 17 18 19 20 21
Fig. 17. Drawing Toolbar in horizontal mode.
Drawing tools may be selected from the Drawing Toolbar, Fig. 17 or from the Draw menu
selection, Fig. 12. The basic idea is that the user first selects the tool and then he/she can start to
draw the selected object with the mouse. The following tools are available, see Fig. 17:
1. Drawing Toolbar Drag Drop area.
2. Se le ct tool. This tool is used to select objects in the drawing area.
3. Rotate tool enables you to rotate objects freely. The other rotation options may be found
from the Rotate/Flip Toolbar.
4. Unit tool creates rectangular units and labels. The Properties Units Toolbar, Fig. 16, may be
used to create units with an image.
5. Draw Fixe d Polyline Stre am tool creates polyline streams and labels. These streams do
not stick with the unit objects. This may seem annoying in some cases, but often makes the
editing of the flowsheet much more straightforward. You may open the edit mode using the
Edit Points icon or by pressing SpaceBar after selecting a stream line.
6. Draw Direct Stream creates straight stream lines which stick on the source and destination units. The stick point may also exist within the
unit object (not in use, instead use Stick Stream Ends property, Fig. 15).
7. Draw Polyline Stream creates polyline stream lines which stick on the source and destination objects object (not in use, instead use Stick
Stream Ends property, Fig. 15)..
8. Draw Direct Midpoint Stream creates stream lines which start from the midpoint of the unit object but are visible only outside the unit object
boundaries. These are not usually used in chemical process flowsheets object (not in use, instead use Stick Stream Ends property, Fig. 15)..
9. Draw Polyline Midpoint Stream creates stream lines which start from the midpoint of the unit object but are visible only outside the unit
object boundaries. These are not usually used in chemical process flowsheets object (not in use, instead use Stick Stream Ends property, Fig.
15)..
10. Draw Polygon creates closed polygons which have fill and shadow properties. Note that
you may easily add new points and edit the location of the existing points later on by double
clicking the polygon using Select.
11. Draw Polyline creates open polylines.
12. Draw Arc creates elliptical arcs.
13. Draw Be zie r creates Bezier curves.
14. Draw Chord (Segment) creates Chord objects.
15. Draw Ellipse creates ellipse or circle objects.
16. Draw Line creates simple lines.
17. Draw Pie creates elliptical sector objects.
18. Draw Re ctangle creates rectangular objects.
19. Draw Rounde d Re ctangle creates rounded rectangular objects.
20. Te xt creates text labels.
21. Inse rt Image inserts bitmap or vector format images from the file to the flowsheet.
Active ke ys in drawing mode : With Polyline objects the Backspace key removes the last
segment, the Esc key removes the object, Ente r ends drawing. See Chapter 40.4.1 for more

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information.

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40.3.6 Rotate / Flip Toolbar (in Arrange menu)
1 2 3 4 5 6
Fig. 18. Rotate / Flip Toolbar rotates the objects
1. Rotate /Flip Toolbar Drag Drop area.
2. Rotate clockwise 90°
3. Rotate counte r-clockwise 90°
4. Rotate to give n angle
5. Flip Horizontal
6. Flip Ve rtical
40.3.7 Order Toolbar (in Arrange menu)
1 2 3 4 5
Fig. 19. Order Toolbar brings the object layers to the front or sends them back.
1. Orde r Toolbar Drag Drop are a.
2. Se nd to Back sends object layer to the back
3. Bring to Front sends object layer to the front.
4. Se nd backward one laye r.
5. Bring forward one laye r.
40.3.8 Combiner Toolbar (in Arrange menu)
1 2 3
Fig. 20. Combiner Toolbar combines objects.
1. Combine r Toolbar Drag Drop area.
2. Group Obje cts tool combines the selected objects
3. UnGroup tool uncombines the selected objects
40.3.9 Size Toolbar (in Arrange menu)
1 2 3 4
Fig. 21. Size Toolbar may be used to make the height or width of the selected object the same.
1. Size Toolbar Drag Drop area.
2. Make same width tool makes the selected object’s width the same.

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3. Make same he ight tool makes the selected object’s height the same.
4. Make same width and he ight tool makes the selected object’s width and height the same.
40.3.10 Alignment Toolbar (in Arrange menu)
1 2 3 4 5 6 7
Fig. 22. The Alignment Toolbar can be used to align selected objects.
1. Alignme nt Toolbar Drag Drop area.
2. Align to Le ft will align the selected objects to the left border of the top object.
3. Align to Ce nte r will align the selected objects to the center of the top object.
4. Align to Right will align the selected objects to the right border of the top object.
5. Align to Top will align the selected objects to the top border of the left object.
6. Align to Middle will align the selected objects to the middle of the left object.
7. Align to Bottom will align the selected objects to the bottom of the left object.
40.3.11 Notes Toolbar
Fig. 23. The Notes Toolbar can be used to save text data to unit, stream or graphical objects.
40.3.12 File Links Toolbar
Fig. 24. The File links toolbar makes it possible to link any types of files to a unit, stream or any
other graphics objects on the flowsheet. For example, you may link a photo of the unit, unit data
history, etc. Using the Links toolbar you can connect additional information onto the flowsheet.
40.3.13 Standard Toolbar (in File and Edit menu)
1 2 3 4 5 6 7 8 9 10 11 12 13
14
Fig. 25. Standard Toolbar in horizontal mode.
Standard toolbar contains the normal tools for file save, printing, etc.

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1. Standard Toolbar Drag Drop area.

2. Ne w Flowshe e t will delete the existing flowsheet and create a new one.
3. Ope n selection will start the File Open dialog and replaces the existing flowsheet.
4. Save File will run the File Save dialog for saving the flowsheet.
5. Print dialog opens the print settings and print dialog.
6. Undo selection will undo the last action. Several undo levels are available.
7. Re do will cancel the last Undo operation.
8. Cut will copy and delete the selected objects.
9. Copy will copy the selected objects.
10. Paste will run the paste routine.
11. Zoom will open the Zoom dialog. You may also zoom with the mouse wheel by holding
down the Alt Gr key.
12. Zoom Out will decrease the zoom setting by 10% units.
13. Zoom In will increase the zoom setting by 10% units.
14. Start Simulation will run the flowsheet in simulation mode, which makes it possible to
connect the flowsheet with the process calculation module.
40.3.14 Tools Menu Selection
Fig. 26. Tools menu selection contains some important and useful tools.
Inse rt He ade r Labe l inserts a special Header label on the flowsheet, which shows the variable
selection in the Simulation mode, for example, As kg/h, Amount kg/h, etc.
Inse rt Link Labe l inserts a Link label which may be used to show value of any cell in the
calculation models in the spreadsheet.
Inse rt Name Labe l can be used to insert a name label in the Unit or Stream objects.
Inse rt Value Labe l can be used to insert a value label in the Unit or Stream objects, which will
show the selected variable value in Simulation mode.
Inse rt Te xt Labe l can be used to insert a text label in the Unit or Stream objects.
Change Picture inserts an image in the selected unit or area object.
Save Se le ction To Unit can be used to create a new Unit image file. First draw any kind of

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unit image and then select all the graphical objects which belong to the unit. Then save the
selected objects as a unit image using “Save Selection To Unit”. The unit images may be saved
in EMF (recommended), JPG and BMP file format. Please note! only EMF may be resized
without loss in image resolution.
Global Variable Editor Not currently in use, because the Sync modes have replaced this
dialog. However in future Sim versions this dialog may be reactivated.
Re pair Flowshe e t Updates the old Sim 5.x flowsheet to the current Sim 6.0 format.
Pe rsist Tool keeps the last selected tool after the drawing has been finished.

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40.4 Drawing Flowsheets
Fig. 27: Flowsheet module main drawing tools on the left toolbar and image unit thumbnail
browser on the right.
You can draw the flowsheet first and then specify the variable list or vice versa. The most
important drawing tools and options are shown in Fig. 28. Usually the Snap to Grid should be
always on, which makes it easy to align the objects drawn. You may sometimes need to set
Snap to Grid off in order to fine-tune the locations of the text Labels. You may get the same
effect by holding down the Alt Gr key and moving the objects with mouse. The Persist Tool
keeps the last used drawing tool in the memory.
Fig. 28: The most important drawing tools and drawing options, see Fig. 14 for locations of
these tools. The drawing tools are: Unit, Stream, Select and Edit Stream Points.
First, select the Unit tool and draw some units by clicking the drawing canvas with a mouse
and keep the mouse’s left button down while drawing. Note that you may also select image
units from the Units thumbnail browser, see Fig. 16. These image units may look better but
sometimes they make the flowsheet fussy. The basic units and image units behave exactly in
the same manner in the flowsheet, and you may later on insert new images into the basic

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units, using Tools, Change Picture.. dialog.
The next step is to draw the Stre ams which connect the units. First, select the Stream
drawing tool, Fig. 28, click the start point of the stream and do NOT keep the mouse button
down when drawing. Draw the stream simply by clicking on the corner points of the stream;
and to stop the drawing, press Enter or double click the end point.
NOTE: Please do not resize the streams using selection handle (sizing handle) as this will also
resize the arrow heads. If you want to move the location of the polyline stream points then:
1. Select the stream and press the Edit Stream Points icon, see Fig. 29, or press the Space
Bar.
2. The stream points turn yellow and then you may move these points using the mouse.
3. You may add new points by clicking and moving on the stream line.
4. You may remove points by selecting the point and keeping the mouse’s left button down
while pressing Back Space on the keyboard.
5. When you are ready, please press Edit Points icon once again or press the Space Bar.
Fig. 29: The Stream 6 has been selected for editing. You may move the yellow points with
the mouse and add new points by clicking the line and delete selected point with BackSpace.

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Fig. 30: Unit and Stream drawing object main properties.
The most important properties of the units and streams may be found from the Process tab of
the Properties Toolbar, see Fig. 30. The essential properties have been underlined:
Obje ct: The object property specifies the graphical object type. The Sim calculation routine
uses this property to specify the units and streams. You may change this property, but please
be careful.
Name ID: NameID specifies the name of the unit or stream; you may change these names,
but duplicate names are not valid.
Mode l: The model property specifies the file name of the unit model, which must be the
same as the unit name. The Unit files are located in the same folder as the FLS flowsheet
file.
Source : The ource property specifies the source unit of a stream object. A question mark "?"
means that the source is a raw material.
De stination: The destination property specifies the destination unit of a stream object. A
question mark "?" means that the destination is a product stream.
Please note that Sim calculation routines use Source and Destination properties to identify the
source and destination of the streams. In other words, if there is disagreement with a source
between the source property and graphical flowsheet then the Sim calculation routines use
the Source property. This means that you do not need to draw very long and complicated
streams on the graphical flowsheet, instead it is sufficient that you specify the Source and
Destination properties.
Type : Type of the unit or stream. Reserved for future Sim versions.
De claration: You may give some additional information in this field, usually it is empty.
Active : You may use this property to temporarily deactivate the unit or stream.
Se que nce : Normally the units are recalculated downstream; however, with this property you
may force to recalculate units in a given order. Value "1" in this property forces to recalculate
this unit first. In some cases this property may be used to improve the convergence and
speed of the iterations.

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Fig. 31: Flowsheet main menu Tools selection. The Insert Header Label and Insert Value
Label may be the most important tools in this sub menu.
When you have got the drawing ready you may add some additional labels, see Fig. 31.
For example the He ade r labe l may be very useful when you visualize the calculation results
in the Run mode. You may add the Header label with selection "Insert Header Label". The
top left and top right corner is often a good location for the header label, which shows the
selected Variable name in the Run mode, see Fig. 31.
The Link Labe l can be used to show any cell value from the calculation models in the
flowsheet. By using the "Link CellRef" property of link label, you may pick up the active cell
reference into this property or you may type it manually.
The Value Labe ls can be used to show the actual value of selected variables in the stream
in the Run mode. First, select the stream then select the Insert Value Label from the Tools,
menu, see Fig. 31. You can easily relocate the labels using the mouse. Usually the Value
Label [value] is added to all the streams, see Fig. 31.

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40.4.1 Editing of Drawing Objects
With the Select tool you may select objects for editing. The Properties Toolbar may be used to
change the properties and location of an object. However, the shape of the object can be
changed in the object edit mode only. You may start the edit mode by pressing Edit Points
icon, Fig. 28, or pressing the Space Bar when object is selected. The edit procedure depends on
the object type. The following pictures give a brief introduction to the editing possibilities.
Fig. 32. Editing of Fixed Polyline Stream, polyline, polygon and Bezier objects:
− Move yellow points with mouse (mouse pointer must be cross arrow).
− Add new points by clicking on the line
− Remove points with Backspace key (hold left mouse button down).
− You may change the source and destination units from the Process Toolbar.
Fig. 33. Editing of Polyline Stream and Polyline Midpoint Stream objects:
− Yellow points may be used to move the location of the whole line.
− Green points may be used to move the start or end location.
− The stream line always keeps the original source and destination units. You cannot
change these in the Process Toolbar!
− Draw a new stream if you want to change the source or destination units.
NOTE 1: If you are drawing a new polyline object then:

Backspace removes the last segment.
Esc removes the last segment and ends the drawing.
Ente r ends the drawing.
NOTE 2: The OpenDraw setting, Fig. 5, has a great effect on the appearance of the
flowsheet in the edit mode. However, it has no effect on the procedure.

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40.4.2 Editing Unit Images
Fig. 34. Ungroup unit object and save it back to unit.
The user may edit unit images. However, these images must first be ungrouped into basic
graphical objects. These basic graphical objects may be edited in the normal way. The final step
is to save selected objects into one unit image. The steps may be summarized as follows:
1) Select the unit.

2) Select "Arrange, Combine, Ungroup...".
3) Change, for example, the line or fill colors of the drawing objects.
4) Select all drawing objects again.
5) Select "Tools, Save selection to Unit...", save as EMF format.
This procedure may be used to create new unit images in different file formats.

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40.5 Creating a Variable List
Fig. 35: Sim Input-sheet with a simple variable list. You can type the list directly in column B
and by clicking the TYPE label, you can specify the variable type and measure unit.
The custom-made variable list makes it possible to utilize the HSC-Sim module in many
different types of simulation applications, such as mineralogical, chemical, hydrometallurgical,
pyrometallurgical, economic, biological, etc. Only your imagination sets the limits! The
custom-made variable list gives a lot of flexibility but the drawback is that the user must know
what he/she is doing.
This is also the main reason why the specification of the variable list is one of the most
important tasks in the new model development stage. You may easily add/delete/edit/sort the
variable list later on, but still it may be best to try to specify a complete variable list right at
the beginning or at least before you start to create the calculation models.
The most important selection you must make when creating the variable list is the format of
species (= format of material). There are two options:
1. Elements (Fe, Ag, O, etc.): This makes it possible to calculate the element balances of the
units and is often the best selection when using quite simple models.
2. Species (Na2S, CaCO3, CO2(g), H(+a), CO3(-2a), etc.): This selection makes it possible,
for example, to calculate enthalpies of the input and output streams and the energy balances.
This format is recommended for the more complicated models.
Another very important task is to divide the species into meaningful phases because only this
makes it possible to calculate phase properties like densities and compositions, Fig. 39.
IMPORTANT NOTE: The Sync option must be ON, see Fig. 35. It synchronizes the Input,
Output and Dist sheet columns A - D with each other.

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Fig. 36: Sim Input-sheet with a simple variable list. You may create column D formulas
automatically by using the "Create Formulas All button on Type dialog, Fig. 3.
The first step is to type the variable list straight into the Input or Output sheet column B, Fig.
35. The font color turns from black to red if the variable is not found from the HSC main
database. However, this does not cause any problems if you do not use the Sim
thermochemical AddIn functions. For example, the word "Gold" in Fig. 36 cannot be found
from the HSC database, however, it may be used as a variable name.
The next step is to specify the variable types, Fig. 36. The model sheet wizards use the
variable type specification in column A for formula and cell reference generation. If you do
not use wizards, then you do not need to specify the types. However, it is recommended to
carry out the type specification in any case because it makes the variable list easier to read.
The meaning of the Input, Output and Dist sheet columns may be summarized as follows:
Column A - Type : Specifies the Row Type. Basically the Type column does not have any
effect on the calculations, however, the Wizards use Type information when they create the
calculation formulas. The Type parameter may be specified using Type Dialog, Fig. 3. The
possible selections are:
- A Amount
- T Temperature
- Pr Pressure
- P Phase
- Species. Red font = cannot be found from HSC database.
Note: You may press "Mouse right button to browse HSC database.
- H Enthalpy
- F Mass Fraction (Base species must be specified)
- D Density (Aqueous phase species mass fractions must be specified)
- C Concentration

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- L Private
- M Mineral
- O Other
- V Volume
The number section in the row type parameter means the phase number. For example: A2 =
Amount of phase 2, H3 = enthalpy of phase 3, etc.
NOTE: It is recommended to introduce the variables always in the above order; this makes
the reuse of the unit models in different processes much easier, because the variables must
be in the same order within one process!
The species are recommended to divide into meaningful phrases such as "Gas Phase",
"Water Phase", "Pure Substances", etc. The phases should be introduced as a continuous list!
Wizards are not able to generate, for example, Enthalpy or Amount formulas without the
specification of phase and species variables, Fig. 36.
Column B - Variable : Specifies the Variable Name. The Wizards use a variable name to
identify the variables but the simulation calculations do not utilize this name. The calculation
routines transport stream variable data between units as columns and assume that the order
of variables is the same in all the units.
Column C - Unit: Specifies the measurement unit. Please use the same measurement units
within all the process unit models. In the future HSC-Sim versions, more flexibility will be
added to the measure unit column.
Column D - Formula: Specifies the Excel type cell formula which will automatically be
added into the Excel model Input - and Output-sheets in Column D. This same formula will
also be used by the output stream columns on the Output-sheet.
Columns E-> - Stre ams: Each stream has one own column.

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Fig. 37: HSC-Sim Global and AddIn function default units.

The default measurement units are shown at the bottom right of the Model Editor form, Fig.
36. You may change these by clicking the unit labels. The Global Measure Unit dialog makes
it possible to change these units, Fig. 37. It is recommeded to select the measure units when
you start to create a new process, the wizards add these units into column C, Fig. 36.
Do not use HSC AddIn function =Units("C";"MJ") on your model sheet, because this AddIn
function may overwrite the global setting and cause random results. See examples, of
AddIn-functions syntax from: C:\HSC6\AddIns\AddInSample.XLS.
Note that the Global Measure Units do not automatically change the measure units which
have been used within the Input, Output, Dist, Control and Model sheets. For example, if the
AddIn function returns the enthalpy as Mcal you may easily convert these values to MWh in
your Model sheet by multiplying by 1.162.
In the next HSC-Sim versions, the Wizards will be tuned to accept a wider range of different
measure units.
A variable list sample is shown in Fig. 38. It has been created with the Sample Variable
Listkey, see Fig. 3. Note that the species have been divided into phases. The phase list must
be continuous i.e. do not use empty rows within the list.

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Fig. 38: A variable list sample with variable type specifications in column A. The formulas in
column D have been automatically created. The raw materials have not yet been introduced.
Most types have been attached with a phase number, for example, H2 is the enthalpy of
phase number 2.

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40.6 Creating Calculation Models
Fig. 40: Output stream distribution Wizard may be started from the Model Editor Wizard
menu.
The calculation model creates a mathematical connection (model) between the Input and
Output streams of one Unit. Usually this model may be divided into two parts:
1. Main Mode l - chemical, mineralogical, equilibrium, flotation, filter, etc.
All the input material streams are combined and then the calculation model transforms the
raw materials into products by using some mathematical formulas based on chemistry,
physics or economy. The Sim-Wizard creates a main model onto the Model sheet. The
main model may also be called the Transformation mode l.
2. Distribution Mode l - based on distribution percentages
The Distribution model divides the products of the main model into the Output streams. If
there is only one output stream then 100% of the products enter this stream. The Sim
Wizard creates a Distribution model on the Dist- and Output- sheets.
The basic idea is that the unit models (Unit 1, Unit 2, Unit 3, etc.) are independent and do not
have any information about each other. The graphical flowsheet contains the information of
the stream connections between the units. The calculation routine transmits the information
(data) between the calculation units according to the graphical flowsheet Source and
Destination properties. This unit "autonomy" concept makes it easier to reuse units in other
processes.
However, sometimes some special information needs to be transmitted between the units, and
in these cases external links may be used. The external link syntax is quite simple: The
formula: "=[Unit 2]Dist!G7" links cell into cell G7 of Dist-sheet in Unit 2. When you reuse
this kind of unit model in some other process you must remember to check the external links.
Note that External Links may also generate troublesome "Circular References" unlike the
normal data transferred using stream variables.

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40.6.1 Creating a Distribution Model
Even the simplest main model which only combines the Input materials feeds without any
transformations needs a distribution model. Distribution percentages may be typed manually
into the Dist sheet. However, the Distribution Model Wizard offers an easier way, Fig. 40.
The first step is to open Distribution Wizard from the Wizard menu, the second step is to type
the distribution percentages into the variables, Fig. 40. The last step is to press Save
Change s and Close the Wizard. This procedure must be repeated for each unit.
The Apply Distributions procedure creates the Main Model on the Model sheet, Fig. 41, fills
the Dist sheet, Fig. 42 and updates formulas on the Output sheet,. Fig. 43. These formulas
divide the Main model products into Output streams.
Fig. 41: Distribution Wizard creates the Main Model. In this case the total sum of each input
variable ends up in the output streams without any variable transformations.
The Chemical Reactions Wizard may be used to create more sophisticated Main models
based on the chemical reactions. You may also create your own models manually using Excel
formulas, cell references and Sim AddIn functions on the Model sheet or on your own sheets.
However, your own sheets must be located after the Model sheet!
The chance to create a customized variable list and your own main models using familiar
Excel type syntax makes HSC-Sim very flexible for many types of simulation applications.
One unit model is always one file in Excel 2000 file format. This makes it possible to reuse
models in other processes. However, the order of the variable list must be the same. In this
sense it is a good idea to use the same variable list in all your processes in spite of the fact
that some of the variables are not needed (amounts = 0) in all applications.
Please note that you can also create your own models under MS Excel, since HSC-Sim
AddIn functions also operate under Excel. However, please use the "C:\HSC6\Template
Model.XLS" file or some original Sim model file as a template for your own models. Do not
delete or overwrite the "Template Model.XLS" file because Sim uses this file as a template.

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In MS Excel you may create your own VBA macros for different calculation models.
HSC-Sim usually retains VBA macros in XLS files, but it does not run these macros.

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Fig. 42: Distribution Wizard fills Dist sheet with given distribution percentages.
Fig. 43: Distribution Wizard updates formulas on the Output sheet.


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40.6.2 Creating Reaction Equation Models
Fig. 44: Distribution Wizard updates formulas on the Output sheet.

The main calculation model transforms the input variable values into output variable values
using some mathematical formulas. The main model may be created manually as in MS Excel
on the Model sheet or by using HSC-Sim Wizards. Quite often the main model is based on
the chemical reactions. In this case you may open the Chemical Reactions Wizard using
selection "Wizard, Chemical Reactions Model…" from the Model Editor menu, Fig. 2.
The first step is to type the reactions that may happen in the process unit in the Chemical
Reaction Wizard, Fig. 44. You may use the Browse DB button to check the correct syntax
for the species from the HSC active databases.
The first species of each reaction is assumed to be the "raw material" which is consumed in
this reaction. You must keep in mind that you cannot consume more than 100% of the raw
materials. For example, FeS is the raw material in two reactions 1 and 2, Fig. 44. The sum of
Progress % cannot be more than 100% (80% + 20%), although it can be less than 100%.
The next species in the reaction equations will automatically be taken into account when
model is created on the basis of the reaction stoichiometry. However, it is still recommended
to check for the negative amounts in the Model-sheet and remove these, for example, by
decreasing Progress %.
The second step is to test the balances by pressing the Balance button. This gives an OK in
the Balance column, showing that everything is OK. The balance test will also give enthalpy
H and equilibrium constant K for the reaction at 25 °C if all the species are found in the
active HSC databases. Negative H values mean that heat is released in the reaction, whereas
positive values mean that more heat is needed. Large K values (>1) mean that the reaction
tends to go to the right and small values (<1) mean that the reaction tends to go to the left in
the equilibrium state.
Please remember to fill in the Distribution sheet too, Fig. 44, because you must divide the
products into the output streams.
When you are happy with the reactions and distributions press Save Change s and close the
dialog. This will create both the main model and distribution model on the Output, Dist and

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Model sheets.

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Fig. 45: Balance range of the main model made by the Distribution Wizard.
The Distribution Wizard automatically creates the Balance range and Chemical Reaction
range in the Model sheet. The Balance range contains Input, Output and Balance formulas
which summarize the total input and output amounts of the variables. Usually the balances
are not zero if variable transformations (reactions) occur in the unit, Fig. 45.
Note that if the species name is re d this means that species is not found in the active HSC
databases. This will not cause any problems with the element balance calculations, but if you
would also like to calculate energy balances then the share of this unknown species will be
missing from the energy balance.
An automatically filled range is outlined with a double line border. Please do not change the
formulas within this range if you are not absolutely sure of what you are doing.

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Fig. 46: Reactions range of the main model made by the Distribution Wizard.
The Reactions range contains the list of the reactions with progress percentages and
necessary cell formulas to calculate the reacted and produced amounts of the species. You
may change the Progress% cells manually, for example, H7 and H11. Please do not change
the other cells within this area that have been outlined with the double line border.
Note that the species name is re d if this species is not found in the variable list. This may
lead to errors. In this case the red color of "Fe(+3a)", Fig. 46, means that Fe(+3a) will be not
copied to the output sheet and this will cause material balance error. Please add Fe(+3a) into
the variable list and rerun the Wizard. In case of electrons the red color does not matter as
long as we are not interested in electron balances.

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40.6.3 Creating Equilibrium Models
Fig. 47: HSC StreamEQ AddIn function calculates the equilibrium amounts (mol) of the
stream at given temperature 1500 °C and pressure 1 bar.
Some process units operate near the equilibrium conditions at least in part. In these cases the
StreamEQ HSC AddIn function may be used to calculate the total or partial equilibrium
composition of the stream. Equilibrium models are also useful when developing new
processes without any experimental process data. See the example in:
C:\HSC6\AddIns\AddInSample.XLS.
The StreamEQ function is quite different than the other HSC AddIn functions because it
returns an array. All the other functions return a value. Therefore, the MS Excel type array
formulas must be used, see Fig. 47. Note that the use of array functions is not as flexible as
the use of normal Excel type functions. For example, the array function arguments must be
located in a continuous block. Note also that when you end the array function editing you
must keep CTRL + SHIF keys down when you press Enter.
The species must be divided into phases for the StreamEQ function. The phase flag § must
be used at the beginning of the phase name, Fig. 47.
We recommend using equilibrium models on your own Model sheets to transform the input
species to output species. In some cases you may utilize StreamEQ function only for one
phase which is considered to reach the equilibrium, such as the gas phase.
However, in many cases the real processes do not operate at equilibrium state due to kinetic
barriers and temperature and composition gradients. In these cases it is better to base the
main process model on the experimental observations and data. The HSC-Sim "Tools, Data
Fit…” sub-module may be used to convert the experimental process data into formulas which
may be used in Unit models.

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40.7 Specifying Raw Materials
Fig. 48: Specification of raw material amounts.
You must give some amounts for the raw materials before you test your models. You may
double click the raw material stream in the flowsheet, Fig. 27. In this process, Stream 1 is the
only real raw material stream and the other input streams are internal ones. In this case you
must specify only Stream 1 amounts, Fig. 48. You may also give some amounts for
circulating Stream 6 and 7, although these amounts will be overwritten by the calculation
routine which transports the data from source unit to the destination unit.
It is recommended to use the same measure units for all the species (t/h) in the first
HSC-Sim versions, although in later versions a full range of units will be supported. Note that
you may change easily the number format of the variable row using Variable Type Editor,
Fig. 3, or using "Format, Cells…" menu selection.

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40.8 Running Simulation
Fig. 49: View of Run Mode. You may start calculations by pressing the Calculate icon.
When you have created the process model in Designer mode then you may start the
simulation mode by pressing the Start Simulation icon or by selecting "Run, Start
Simulation…" from the main menu, Fig. 1. However, please save your process first using the
"File, Save Process" or "File, Save Process As…" options because this allows recovery after
any MS Windows or HSC-Sim errors.
The starting of Run mode may take a little time, Fig. 49, because internal calculation plan
table will be created to optimize the calculation speed. So you may change the content of
cells in the Run mode, but do not move cells, rows or columns in Excel Model, because this
does not update the internal calculation plan.
In the Run mode the flowsheet is locked. However, you may open Excel Editor in the same
way as in the Designer mode and change the raw material amounts or some other
parameters. However, please do not add variables, change formulas, or modify models in the
Run Mode. You may use also Variables ToolBar to change values, see Fig. 50.
The first step in the Run mode is usually to press the Calculate icon, which will carry out the
calculations and move material downstream. This procedure will be executed 5 times, or any
other number of iterations that you specify in the Rounds text box. If you have no internal
circulation streams then some 1 - 2 rounds are enough but if you have a lot of internal
circulations then more iterations are needed. You may select a critical stream on the
Variables ToolBar before pressing Calculate and observe the stabilization of the composition.
When the changes stop then equilibrium has been reached.

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Fig. 50: Run Mode: the Visualize option has been selected for Gold. Stream 3 has been
selected for the Variables ToolBar.
When you have carried out the calculations the flowsheet is automatically updated with the
selected Variable data. You may change this selection using the Variable Selection
drop-down list box, Fig. 50. You may use the Visualize selection to change default visualize
settings. Visualized flowsheets offer an illustrative way to report the simulation results. The
Visualize options make it possible to adjust line widths or the range, etc. These diagrams are
sometimes called "Sanke y diagrams". . Note that the HSC-Sim module draws Sankey
diagrams automatically.
You may easily Copy-Paste the visualized flowsheet into other Windows applications by
pressing the Copy icon. Then Paste the flowsheet into Word or Excel using the "Edit, Paste
Special…, Picture, OK" procedure.
You may also print and export the flowsheet as a file using the Tools menu options, see Fig.
26. Several graphics formats are supported.
Another useful option is "Show Calculation Monitor". This will show details of the calculation
in table format, Fig. 51. It may be used to identify possible convergence problems with
Controls and circular internal streams, Fig. 52.
Monitoring Ite rations and Controls
You may monitor calculations progress and control iterations by "Tools, Show Calculation
Monitor" selection, see Fig. 51, 52 and 53.

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Fig. 51: Run Mode: Tools menu options.
Fig. 52: Run Mode: Show Calculation Monitor Dialog may be used to follow the calculations.

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Fig. 53: Show Calculation Monitor Dialog may be used to show the Control Monitor.
The Control monitor, Fig. 53, shows the iteration convergence of the active selected control.
Note that:
- Excel Editor of one unit must be open
- Control sheet must be open
- One control must be selected.
You may then test the iteration of the active selected control by pressing the Run Controls
button. This gives the extrapolates values in number and in graphical format.

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40.8.1 Visualize Settings Dialog
Fig. 54. Visualize dialog. Gold is an active variable in this case.
The stream variable amounts may be visualized using the HSC-Sim Run mode Visualize
option. The Visualize Settings dialog may be used to change the Visualize options.
The Visualize dialog se ttings, Fig. 54 are :

Set Line Width Varies stream line width
Set Color Varies stream color with positive and negative values
Maximum Line Width Maximum line width with maximum amount
Positive Color Stream line color if value is positive
Negative Color Stream line color if value is negative
Use Absolute Values Automatic line width
MIN User selected minimum value
MAX User selected maximum value
Close Closes the dialog
Reset Flowsheet Recovers default line widths
Visualize flowsheet Shows the effect on the flowsheet
Note that flowsheets do not calculate anything, they only show the stream line widths using
the given variable values.

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40.9 Printing
Fig. 55. Flowsheet module Print dialog with Print Preview.
The same printing dialog is available in the Flowsheet Design and Simulation mode, Fig. 55.
The Print Preview on the right side shows the effect of selected printing properties on the
print results. The narrow gray area on the edges of the paper shows the area where the
printer cannot print. The property list on the left shows the available settings such as:
1. Printer: Print Setup changes
2. Driver: Print Setup changes
3. Color Mode B&W / Color
4. Paper Size Print Setup changes
5. Orientation Portrait / Landscape
6. Fit to Page True / False
7. Top Top margin. Black horizontal line in Preview.
8. Left Left margin. Black vertical line in Preview.
9. Zoom Zoom setting used in printing.
10. Print Area Picture / Objects only
11. Print Hidden Objects Also prints object of which the visible property is False.
12. Print Background Also prints background picture of the flowsheet

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40.10 Element Balances of the Units
Fig. 56: Element balances of process units.
The unit calculation models made manually or using Sim Wizards may contain errors. One
typical error is that the element balance between the input and output streams is not zero.
You may easily check the element balances of the units by selecting "Tools, Element
Balances…" in the Model Editor menu, Fig. 2. This will start the procedure to calculate the
element balances of all the units and give these on the Balances sheet of the Report form,
Fig. 56. This procedure will hide those element columns which do not contain material.
This procedure calculates element balances based on the input and output stream elements. It
also takes into account the possible species (FeO, NaSO4, etc.) in the variable list. However,
it cannot take into account the elements which are hiding behind the variable names such as
"Gold". If you want the Element Balance procedure to check the element balances, please
use chemical formulas (Mg, Ca, SiO2, SO2(g), SO4(-2a), etc.) as species names in the
variable list.
You may save, print and Copy-Paste the element balance results collected on the Sim Report
form using normal menu selections, Fig. 56. When you save an FLS file the Report.XLS file
will be automatically saved in the same folder.

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40.11 List of Streams - Variable Balances
Fig. 57: List of input, output and internal Streams with variable balances.
Quite often the results of the simulation calculations are presented as a stream list with
calculated variable values.
You may easily generate a stream list with values and variable balances by selecting "Tools,
List Streams…" in the Model Editor menu, Fig. 2. This will collect the streams on the
Streams sheet of the Sim Report form. This procedure will also sort streams into three
categories: Input, Output and Internal streams, Fig. 57. In this list all the variable names will
be shown in row 2.
Please note that this is not an element balance, instead it is a variable balance and the
variable balance does not need to be zero for the process. For example, if the Al2O3 is
converted into metallic aluminum Al then the Al2O3 balance of the process cannot be zero!
When you save the FLS file the Report.XLS file will be automatically saved in the same
folder.

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40.12 Creating Controls
Fig. 58: The calculation model “Controls sheet” with one control.
Row Name De scription
3 Number Control Number (max = 254)
4 Y Target Name Name of Y (optional)
5 Process Unit Unit name (optional)
6 SI Units Measure unit name (optional)
7 Se t Point Se t point of Y (obligatory)
8 Me asure d Y ce ll re fe re nce (obligatory)
9 Tole rance +/- Y tole rance (obligatory)
10 Me thod Ite ration me thod (obligatory)
Auto (default, run process until Y oscillation ends)
Auto Slow (run process "Rounds Forced" times)
11 X Variable Name Name of X (optional)
12 Process Unit Unit name (optional)
13 SI Unit Measure unit name (optional)
14 Value X ce ll re fe re nce (obligatory)
15 X Min Limit Min limit of X range (obligatory)
16 X Max Limit Max limit of X range (obligatory)

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17 X Max Step Maximum X Step (optional, default = 0 = not in use)
18 Ite rations Max ite ration numbe r (obligatory)
19 Rounds Forced Run process given times (optional, default = 0 = not in use)
20 Active Set control ON/OFF (optional, default = ON)
The HSC-Sim Controls sheet makes it possible to create controls which regulate some target
parameter cell value using some other variable cell value, Fig. 58. In principle, Sim Control
works exactly like real process control, for example, in a real process unit you may give a set
point to process unit temperature and regulate the temperature using the fuel oil feed.
You may create two types of controls:
1. Inte rnal control where the target and variable cells exist in the same unit (FAST).
2. Exte rnal control where the target and variable cells exist in different units (SLOW).
Calculation of the internal control is fast because only one unit is calculated. Calculation of
external control may take more time because material must be recirculated within the whole
process several times to reach a stable target value. You may speed up iterations of external
controls with narrow X min and X max limits and reasonable tolerance value. It is
recommended to moderate large changes of the variable with use of X Max Step. This will
usually prevent the external control to run the process out of order.
To create one control on the Controls sheet, you have to set at least the Target cell reference
and Variable cell reference and also the limits for the variable. You may type this information
onto the Controls sheet manually or you may use the Controls menu options. Please use the
following procedure:
1. Click the first available controls column (C ->) on the Controls sheet.
2. Locate the Target cell from your active unit and select "Controls, Set Unit Target".
3. Type the name and measure unit into rows 4 and 6 (optional).
4. Locate the Variable cell from your active unit and select "Controls, Set Unit Variable".
5. Type the name and measure unit in rows 12 and 13 (optional).
6. Type Limit Min and Max in rows 15 and 16, a narrow limit speeds up calculations.
7. Give the maximum number for the iterations in row 18.
If you want to use an external target cell from some other process unit then use "Set Process
Target" and "Set Process Variable" selections. This will open the unit selection dialog, which
may be used to guide the external cell reference to the correct unit.
The default Tole rance is +/-. The small tolerance increases calculation time and large
tolerance increases errors. Some 2% of the target value may be a good compromise. The
control will not be calculated if the value is within the tolerance.
The Controls sheet uses Auto Me thod to iterate target value by changing a variable value if
the Method is not specified. Other valid methods are:
1. Auto: Default method, combination of Tangent and Least Square method. This method
will change variable X value and it will stop iteration when target Y value oscillation
ends. Usually, "Auto" is the best selection.
2. Auto Slow: Similar to previous, but with the external controls force to run process as
many times as given in "Rounds Forced" cell. This will make possible to control the
"slow processes".

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Sim Controls have exactly the same limitations as real process controls, for example:
- If the target cell does not depend on the variable cell value then the iterations will fail.
- If an external variable cell is used then there may be a long delay before the effect on the
target value is visible. In these cases a lot of iteration rounds may be needed to reach the
set point. This may increase the calculation time.
The first HSC-Sim version used the old HSC Chemistry software iteration routine, which
assumes an immediate response between the variable change and the new target value. In
the basic HSC this is always a valid assumption. However, in the HSC-Sim module the
response of the target value to the variable change may involve delays, especially if the target
and variable cell references are located in different process units. In future HSC-Sim
versions more effort will be put into developing Controls iteration routines.
PLEASE NOTE:
- Usually you may create a large number of inte rnal controls in a process without a
dramatic drop down of calculations speed because these do not increase the number of
calculation rounds of the process.
- Usually only a few e xte rnal controls can be used in one process without considerable
decrease in the calculation speed because external controls may multiply the calculation
rounds of the process.
- It is recommended to moderate large changes of the variable with use of X Max Ste p,
when using external controls with slow respons.
- If you want to keep some concentration lower than a set point (8 g/l) by changing bleed
stream amount (valve 0 - 100%). Please use an external control if the bleed and
concentration cells exist in different units.
- The Re cove ryX add-in function cannot be used in the Target cell, because it is
recalculated only after all calculation Rounds have been finished.
- The large number of thermochemical add-in functions (Stre amH, StreamS, etc.) may
drop down calculation speed if the argument value changes in each control iteration round
because the data search from the H, S and Cp database takes time. Use these add-in
functions only when needed.

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40.13 Remote Control - Scenarios - Sensitivity
Fig. 59: Sim Report form showing the Remote Control results.
Sometimes you may want to run the simulation by changing one or several variables or
parameter values in the process several times. This may be done manually but the Sim
Remote Control tool can be used to automate this kind of scenario or sensitivity analysis.
You may create a new Remote Control by selecting "Remote, Create Remote-Control…"
from the Report form menu, Fig. 59. You may fill in the Remote sheet using the following
steps:
1. The first step is to collect cell references in row 6. Locate the variable cell from the
calculation model, Fig. 48, and press Se t Link on the Remote form, Fig. 59. You may also
type cell references manually, note that the Unit name must be in brackets, [Unit 2], and
the sheet name must end with an exclamation mark, Dist!.
2. Then click cells C5, D5, E5, etc. to specify the variable type SET/GET. The SET variable
sets the value and the GET variable reads the values. Note that the SET cell must contain
a value not a formula!
3. Fill in the SET values in the SET columns starting from row 7, and enter the number of
Rounds in column B. A large number of Rounds increases the calculation time.
4. You may type some headers for rows 1 and 4, just for your own use.
5. Run the Remote Control by selecting "Remote, Run Remote-Control", Fig. 59.
6. The Sim Remote control tool runs the simulation several times by changing the SET cells
by the given values and collects data in the GET columns.
When the simulation has ended you may Save, Print and Copy-Paste the results using normal
menu selections, Fig. 29. When you save the FLS file, the Report.XLS file will automatically
be saved in the same folder.

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40.14 Creating Reports
Fig. 60: Sim Report form with a report on product streams.
Visualized graphical flowsheets are often the most illustrative way to report results.
However, sometimes some key figures are needed in tabular format. The HSC-Sim Report
dialog may be used to collect and modify the necessary data from the calculation models.
Using the selection “File, Report”, may open this tool. Please use the report sheet for
collecting results; the Balances, Streams and Remote sheets are reserved for other purposes,
Fig. 60. Note that you may also insert other sheets for you own purposes.
You may pick up any data from the calculation models using external links. You may type
these links in the Report sheet cells manually or you may select the necessary cell from the
unit model (Set Link Source Cell) and then press the Se t Link button at the bottom of the
Report form. Please use the correct syntax in the external links. Formula: "=[Unit 2]Dist!G7"
links the cell to cell G7 of the Dist-sheet in Unit 2.
The green pattern of the cell means that the linked cell contains no formula, which means that
you may type a new value in the Report sheet and it will be transferred into the source cell
too. i.e. green cells contain two-way bidirectional links. The yellow pattern means that the
source cell contains a formula, and this means two-way links cannot work with these cells.
The green two-way links allow you to change some process parameters quickly and
recalculate the process and collect new data in the yellow cells.
You may format the Report sheet in the same way as you format an Excel sheet. A
Report.XLS file is automatically saved in the same folder as the FLS process file when you
save the process.
Multiply Links may be used to link the same cells in each unit in the Report sheet. For
example, select cells G6:G12 and press Multiply Links.
The Show Link button will show the source cell of the selected external link. The Links
ON button may be used to set Links OFF in order to speed up the calculations. The Balance

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button calculates the element balances of the units.

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40.15 Global Cell Editor
Fig. 61: Global Cell Editor edits all units simultaneously.
The Synch option at the bottom of the Model Editor form, Fig. 2, synchronizes all the changes
made to the variable list in the Input, Output and Dist sheets columns A - D in all units.
However, sometimes you may want to make such changes in other sheets and cell ranges
too. The Global Cell Editor is made for this kind of work.
You can open Global Cell Editor by selecting: "Tools, Cell Editor…". This will open the active
cell for global editing. You may retype anything in the Global Cell Editor text box and when
you press Enter it will be transferred to all units which have been selected in the unit list at
the right side of the dialog.
You may also move, insert and delete rows globally in all selected units.
Please be very careful with this tool, you may easily destroy your models with this tool if you
are not absolutely sure of what you are doing.

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40.16 Calculation Model Appearance and Format
The row and column order of Input, Output, Dist, Controls and partially also on the Model
sheet is fixed. However, the appearance and formats are quite free. In your own sheets the
layout and formats are totally free.
The default calculation model format may be set using the file:
C:\HSC6\Te mplate Mode l.XLS
You may edit the number, color, border, pattern, etc. formats of this file using MS Excel. If
you want to return to the original formats then delete this file, it will be recreated if it does not
exist in the same folder as Sim.exe.
If you want to update old models using new template formats then select: "Format, Unify
Using Template Model…" which will update the formats of all the units using the formats of
the "Template Model.XLS" file. You may also unify by selecting "Format, Unify Using Active
Model…".
Fig. 61: Unit Unify Dialog.
You may also unify selected units only using the format of the active unit. You may open the
Uniform Units dialog with the selection: "Tools, Unify Sheets…".

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40.17 Density of Aqueous Solutions
Fig. 62: Aqueous solution density calculator.
The HSC main database contains data of densities of gases and condensed substances,
however, the densities of aqueous solutions must be calculated using the density calculator
and Aqueous Solution Density database, Fig. 62. This calculator may be opened using the
"Tools, Density Calculator…" menu selection. Aqueous solution densities are needed, for
example, to convert analyzed concentrations in g/ml into quantities.
You may pick up aqueous solution components from the list on the right side of the form, then
the second step is to specify mass fractions and temperature, then pressing Calculate will
give the results. The densities are based on mass fractions because this type of experimental
data is available and the calculation model uses this primary data. Aqueous solution density is
quite easy to measure experimentally but difficult to evaluate theoretically. You may add new
data into Aqueous Solution Density.xls file using MS Excel. See details of the basic ideas
from chapter 40.17.1
These fixed density values may be used in HSC-Sim based models. However, the
De nsityA(Species;Amount;T) AddIn function may also be used to give the densities as a
function of arguments in the models. DensityA uses exactly the same calculation routine and
database as the aqueous solution density calculator, Fig. 62. See example in:
C:\HSC6\AddIns\AddInSample .XLS

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40.17.1 Density Calculation Methods
The density calculation for aqueous solutions was made according to the article written by M.
Laliberté and E. Cooper. It is based on the mass fractions of the electrolytes in the solution.
The database includes constants for 59 electrolytes and more constants can be added to the
database if measurements of the solution of an electrolyte are available.
In HSC Sim, the density calculation may be done using Excel Add-In function De nsityA. For
source information it needs the components, their mass fractions and the temperature of the
solution. The result is the density of the solution in the unit kg/m3.
The Excel Add-in calculates first the apparent specific volume for each electrolyte and then
the density for the solution. The apparent specific volume is calculated with equation 1.
(1 − wH 2O ) + c 2 + c3t
v app ,i = (1)
(c0 (1 − wH 2O ) + c1 )e (0.000001(t +c ) )
2
4
The apparent specific volume can be either positive or negative. Typically it has a low value
at low concentration and then increases toward a linear relationship with mass fraction at
higher concentration. The density of the solution can be calculated from the volume with the
following equation:
1
ρm = (2)
wH 2 O
+ ∑ wi v app ,i
ρ H 2O
40.17.2 Adding new electrolytes to the database
To add new electrolytes to the database the constants c 0 to c 4 have to be calculated.

Calculation is preformed with similar equations as presented above. First, the apparent
specific volume is calculated from the measurements with the following equation:
ρ m (1 − wi )
1−
ρH O
v app ,i = 2
(3)
ρ m wi
The volume is used to calculate the constants c 0 to c 4 . Equation 1 is used in this calculation
and it reduces to equation 4 for a solution of just one electrolyte in the water.
wi + c 2 + c3 t
v app ,i = (4)
(c0 wi + c1 )e (0.000001(t +c ) )
2
4
The calculations of the constants were made with nonlinear least-squares method (Excel
solver) when the initial guesses for constants c 0 to c 4 were 1, 1, 1, 0.0025 and 1500

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respectively. Then new values for the volume and the density were calculated with the
equations 1 and 2. Residuals were calculated by subtracting the calculated apparent specific
volume and solution density from their experimental values. The sum of the square of the
density residuals was calculated, and this value was minimized varying the constants. The
data was also checked for consistency for both volume and density, by calculating average
residuals and standard deviations. If a data point varies 4 times the standard deviation from
the average residual, the data point is removed and the calculation is repeated until there are
no inconsistent data. Because the constant c 4 can sometimes be negative the other initial
guess for it was -1500 to avoid convergence problems.
Calculation spreadsheets from the source article are available free of charge via the Internet
at http://pubs.acs.org.
40.17.3 List of symbols
c0 Empirical constant, kg/m3
c1 Empirical constant, kg/m3

c2 Empirical constant, -
c3 Empirical constant, 1/°C
c4 Empirical constant, °C
t Temperature, °C
v app,I Apparent specific volume of component i, m3/kg

wH2O Mass fraction of the water, -
wi Mass fraction of component i, -
ρ H2O Density of the water, kg/m3
ρm Density of the mixture, kg/m3


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40.19 Password Protection of Units
Fig. 63: Password protection dialog.
You may hide the calculation models of the process by selecting from the Flowsheet menu:
"File, Lock Excel Units with Password…" Dialog, see Fig. 63:
1. Type the password to the Password column and press "Same Password to All".
2. Press the Lock button.
3. Press the Save Proce ss button.
4. Press the Close button.
This procedure will hide all the other sheets than Input and Outputsheets and save unit files in
a crypted format which cannot be opened with Excel or any other program. You may also
password-protect only one unit by giving the password only to this unit.
You may open the password protection if you know the password but press the Unlock
button instead of the Lock button.
Note that password protection automatically opens the cells with external references for
monitoring and calculations, but all the other cells on the hidden sheets are invisible for the
external references. All the "open", unprotected cells are marked with gre e n patte rn on the
hidden sheets.
The password-protected units are like black-boxes, where only the Input- and Output-sheets
are visible to the user. However, remember that when the final user has full access to the
protected files in his hard disk, then any protection method is NOT absolutely safe.

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40.18 Data Reconciliation
Data reconciliation means fitting the analyses of the streams to solve the mass flow of each
stream and recalculating the analyses so that the flowsheet is internally consistent.
For that you need:
• Chemical analyses of the streams, weight based, i.e. wt.%, ppm, g/t, ppb etc.
• Knowledge of the analysis variation for each element
The steps of data reconciliation are:
1. Drawing the flowsheet and naming the streams
2. Inputting analyses
3. Creating mass balance equations
4. Solving the mass flows and assays
5. Saving the balanced result for further use
Inputting analyse s:
Analyses are imported into the Analysis.xls file, which is stored in the same folder as the
flowsheet.
Steps for inputting the analyses are:
1. Open the Analysis window from the flowsheet, select Tools – Analyses
2. Prepare the analyses in Excel or somewhere else in a format where:
• Row-wise data: Each sample is in its own row
• The name of the sample is the same as the stream (you can check and change that
later)
• Each analyzed element in its own column
• Header data in one row, include there analyzed component, analysis method and unit,
e.g. Cr2O3 XRF %, Cu TOT ppm, Au (FA) g/t,
• Name the first column where the stream name is as ‘Stream’
• Above and on the left side of the ‘Stream’ cell you may have data which is not taken
into account in data reconciliation
3. Note that you do not need to have the analyses of each stream. There may be also some
extra samples. These are omitted in data reconciliation, but if you like you can have
them there for information or some other purpose.
4. One stream cannot appear twice!
5. Import the analyses into the Analysis window, either by opening the file (File – Open) or
through the clipboard (Edit – Paste)
At this moment the analysis data should look like this (Fig. 64):

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Fig. 64: Analyses. Data has to be row-wise, “Stream” cell indicates the top left corner of the
analysis table. Analyses are as follows: preferentially give the element, method and unit; all in
a single cell.
6. Press the “Identify Streams” button, which adds the columns Source, Destination and
Mass% if required next to the ‘Stream’ column and fills it accordingly (Fig. 64). Check
that the streams have the correct ‘Source’ and ‘Destination’. A question mark denotes
that it is either a feed or product stream of the circuit. If ‘Source’ and ‘Destination’ are
empty, then the sample has not been identified and the name of the stream is incorrect
either in the flowsheet or analysis listing. Change in either place and redo ‘Identify
Streams’. This listing is regenerated each time you press the “Identify Streams” button.
You can change the stream names and other data as well.

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Fig. 65: After pressing ‘Identify Streams’ button the ‘Source’ and ‘Destination’ columns
appear in the spreadsheet. A question mark (?) indicates that the stream is either an input (in
‘Source’ column) or output (in ‘Destination’ column).
7. Select File – Save to save the data in the same folder as the flowsheet. (Analyses.xls)
Once saved, the analyses will be loaded automatically each time you open the flowsheet.
Data Re conciliation:
The data reconciliation can be done once you have input the data and identified the streams.
Press the “Data Reconciliation >>>>” button in the ‘Analysis’ window. The data
reconciliation window opens, see below. The window consists of five parts: 1) stream control
at the top, 2) analysis control on the right, 3) unit control below in the middle, 4) options on the
right, 5) mass balance info box and 6) buttons at the bottom.
The starting point of the data reconciliation sheet is that :

• All the units and streams are selected for the data reconciliation
• All elements are selected for the data reconciliation and the coefficient of variation,
CV, are set to 1
• Mass balance equations are generated according to analyses. This means that while
the mass balance equation is written initially for all units, in the second step the unit
size is enlarged in a way that mass balance equations are fulfilled according to the
analyzed samples. This means that the number of mass balance equations is reduced
and some streams with analyses may be left out because their mass proportion
cannot be calculated directly by mass balancing.
The steps of the data reconciliation are:

1. You may start by pressing the “Reconcile !” button and see what is the outcome of the
basic assumption.
2. To do the reconciliation for only part of the flowsheet e.g. in cases where some of the
streams tend to end up negative, use “Is Used” and “Analysis” columns.
• “X” indicates that the stream is selected. Click the cell and the stream switches
between selected (“X”) and unselected (“ “).
• “Is Used”: if you unselect the stream in the “Is Used” column this equals the cases
where the stream does not exist at all
• “Analysis”: if you unselect the stream in the “Analysis” column this equals the case
where the stream has not been analyzed
• Check the mass balance equations in use at the bottom of the window
3. Click on the cell or use the Edit menu to unselect and select “Is used” and “Analysis”.

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Note that there is an option to select the streams of a unit. Select the unit in the
flowsheet and then select from the menu “Is Used = Add selected unit”. This changes
the input and output streams of the unit as “Is Used”
Stream control
Analysis control
Mass balance
equation info box
Options
Buttons
Fig. 66: Data Reconciliation window.
4. By fine-tuning the weighting of analyses: on the right side of the window in “Analysis
control” you can fine-tune the effect of each analysis. Again “X” means that analysis of
e.g. copper is taken into data reconciliation while sulfur can be excluded.

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5. CV, the coefficient of variation: the weighting of the analysis is adjusted on the basis of
the coefficient of variation. A low CV value, e.g. 1, means that the analysis is highly
reliable whereas a high value, >10, is used for low accuracy and low reliability. In mass
balancing the analyses are changed according to the formula:
used=analyzed/(CV*content_in_feed).
6. If you cannot get rid of negative values, switch to the NNLS (non-negative least
squares) method. Be careful that, there may be something wrong with the original
analyses; and a better way could be to uncheck the problematic streams
(“Analysis”-column).
Fig. 67: Result of the data Reconciliation in the Sim Report window.
7. Once you are happy with the results as shown in the Report window you can save the
output back in the Analysis.xls file. To do that select from the reconciliation window
menu ‘Results’ – ‘Write into Analyses’ (Fig. 68). HSC Sim asks for the name of the
sheet for the output (Balanced as default). If it does not exist, a new sheet will be
created and reconciled data will be written there. If one exists, the sheet will be emptied
and replaced with the new data.

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Fig. 68: Writing the result back in the Analysis window.
8. To complete the data in the ‘Balanced’ sheet in the ‘Analysis’ window, press ‘Identify
streams’ and select from the menu ‘Tools’ – ‘Calculate Recoveries’. Recoveries are
calculated against the first row (Fig. 69). To save the result select File – Save (Fig. 69).
Fig. 69: Balanced result as complete in the ‘Balanced’ sheet with ‘Source’ and ‘Destination’
information (by pressing ‘Identify Streams’) and recoveries (by selecting Tools – Calculate
Recoveries). Save the data by selecting ‘File’ – ‘Save ...’.
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41. Sim Flowsheet Example
Fig.1 Sim Flowsheet Example, Run mode view after calculations.
General
One simple hydrometallurgical simulation example is provided with HSC-Sim. The
same basic ideas may also be used in other areas. It may be found from the HSC
Chemistry installation folder …\Sim\FlowSheet\Example\Example.fls. It describes the
creation of the example in detail with references to the Sim Flowsheet manual.
However, there is no need to do everything in the same order as described below.
Drawing a flowsheet, see Chapter 40.4

− Select the unit icons from the Properties toolbar, Units sheet. If you need to modify
the unit icons, see Chapter 40.4.2 and 40.4.3. If you modify or copy the units,
remember to change the object type to Unit since the pasted objects are always of
the Drawing type, see Chapter 40.3.2 Properties toolbar.
− Draw the streams between the units. One mouse click for the start and to the
corners and double click to the end. If the units are Unit-type objects and the
stream touches the unit then the source and destination is automatically filled for
the stream. For editing the stream afterwards please see Chapter 40.4.1.
− Name the units and streams see Chapter 40.3.2.
− Add the necessary labels. For example, a header label and value labels. Chapter
40.3.14.
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− Check the source and destination for the streams. In the example, washing water
output of filters is put into the pulping reactor, Figure 2. This is done by filling in the
destination row in the Properties toolbar, Process sheet. Chapter 40.3.2.
Fig.2 Changing the destination of the washing water output stream.
− If you need to change the format of the labels or names in the flowsheet you can
select all the same kind of labels or names with Edit – Select tool, see Chapter
40.3.1.
Setting the global measure units, see Chapter 40.5
You find this tool from Excel editor from the bottom-right corner of the window. Click the
units with the mouse.
Setting the variable list, see Chapter 40.5
The sample variable list is used as a base list in this example. You can add the list to the
model from the Variable type selection tool by pressing the “Sample variable list” button,
Figure 3. You may also fill the variable list manually, the Variable Type Dialog may be used
to select the available types for the variables.
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Fig.3 Variable type selection window.
You are not limited into the variable types available in the Variable Type dialog, Fig. 3.
However, if you create yor own variable types (Type: Other O) you must create also the
possible formulas manually. For exampe, "Solid concentration" is not in the sample list and it
may be added to the bottom of the list.
− Open any unit in Excel editor and select the input or output sheet.
− Write the type of the variable to the A column (O), name of the variable to the B
column (Solid concentration) and unit of the variable to the C column (g/l).
− Make the formula to the D column. In the example the formula is D31/D47*1000,
which means that the total solid mass is divided by the total slurry volume and the
result is multiplied by 1000 to get the unit to grams solid per liter slurry.
− Copy this formula to the columns E, F and G. These three columns are enough in
the example since the maximum number of input or output streams in one unit is
three.
− Copy the formula to the other units with the Global cell editor, Chapter 40.15.
Open the Cell editor from Excel editor – Tools – Cell editor… Select the first cell
where the previously-made formula is and press the Enter button in the Cell editor
window. Do the same for all three cells that have the formula. After that the
formula is in every unit in input and output sheets. Please see Figure 4.
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August 22, 2006
Fig.4 The Global cell editor.
Solid density is not filled automatically since there is no formula for it. If you need to know a
solid volume you have to define the solid density. This can be done with Global cell editor as
described above. In the example, a value of 3300 kg/m3 was used.
When modifying the variable list, remember that the columns A to D are automatically
synchronized, which means that any changes are automatically copied to all units in the
process. Chapter 40.2.3.
Create the formulas for the variables from the Variable type selection – Create formulas all
button (or Recreate formulas for all process units button in Global measure units window),
Figure 3. This creates the formulas for variables according to the variable type in column A.
Add reaction equations to the unit, Chapter 40.6.2
The reaction equations can be added with the Distribution wizard. Choose the leaching unit
and open the Excel editor ans select "Wizard – Chemical reaction model…" You only have to
write the compounds and press the Balance button, which adds the coefficients for the
reactions. In the example the reactions are as presented in Figure 5.
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Fig.5 Reactions sheet in Distribution wizard.

Remember also to complete the Distributions sheet! It is the same as the Distribution model,
Chapter 40.6.1. In the example, 100% of gas phase, go to the Off gas stream and 0% of
liquid and solid phase. Fill in the percentage for both streams, i.e. rows 10, 16 and 24 in the
example. Press the Save Changes button to accept the changes for both sheets.
In the pulping reactor there are no reactions and only one output stream. The easiest way to
make the formulas for the output sheet is with the Distribution wizard. Fill in the rows where
there are phase names as described above. Of course you can make the formulas on the
output sheet by yourself. In this case, the formula would be the link to the same row in the D
column of the input sheets.
Load and run Excel wizards for the thickener and the filter, Chapter 56
You may create the unit models manually like in Excel, however, the Wizards may offer an
eaier way. For the thickener and filter an example wizard is available. You can load it from
the Excel editor with selection "Wizard, Load Excel wizards…".
Loading the wizard will only copy it onto the wizard sheet into the unit. Running the wizard
will make changes to the unit. In this case when you run the wizards you are asked for the
number of different streams in the input or output columns. This is because the streams can
be in different columns or have different names. In case of the thickener wizard, if you have
a thickener underflow stream in the E column then the underflow is in the 5th column and the
overflow in the 6th column.
Fig.6 Wizard sheet in the unit. Wizard-sheet do not carry out calculations, it may be needed
to recreate the unit model onto the Model-sheet.
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Setting controls to the process, Chapter 40.12
In the example the solid concentration after the pulping reactor is controlled to 250 g
solids/liter slurry. The control is made to the units control sheet. The control sheet is
presented in Figure 7. The following rows are filled in.
Table 1. The feed data for controlling the solid concentration after pulping.
The row name (Cell Filled value or formula Notes
reference)
Set point (C7) 250 Desired solid concentration, g/l
Measured (C8) =Output!E50 Measured solid concentration, g/l
Tolerance +/- (C9) 1 Tolerance for the concentration
Value (C9) =Input!F17 Water input to the process, t/h
X Min Limit (C15) 0 Minimum amount for Value cell
X Max Limit (C16) 100 Maximum amount for Value cell
Fig.7 The controls sheet of the pulping.

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The other control is needed to the leaching to adjust the amount of sulfuric acid fed to the
process. In this case we assume that the acid is fully consumed in the leaching.
Table 2. The feed data for controlling the sulfuric acid feed for the leaching. In this
case the desired amount of acid in the output stream should be equal with the
tolerance, then we avoid negative values.
The row name (Cell Filled value or formula Notes
reference)
Set point (C7) 0.001 Desired amount of acid in output,
t/h
Measured (C8) =Output!F28 Measured amount of acid in
output, t/h
Tolerance +/- (C9) 0.001 Tolerance for the acid amount
Value (C9) =Input!F28 Acid input to the process, t/h
X Min Limit (C15) 0 Minimum amount for Value cell
X Max Limit (C16) 100 Maximum amount for Value cell
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Setting feed streams for the process
All feed to the process streams should be set. If the feed to the process is not set the stream
is ignored. We have already set some feed streams.
− Washing water for filter is set when we used the wizard for the unit.
− Water feed is set to be dependent on the solid feed to the pulping with the control.
− Sulfuric acid feed is dependent on the acid consumption in the leaching, also set
with the control.
The concentrate feed in the example is set to 5 t/h CuS and 5 t/h FeS, Figure 8. Fill in these
values to the input sheet of the pulping unit, rows 25 and 26. The correct column is the one
that has the right name in row 6. If you have problems to get the correct name to row 6,
check that you have the correct destination in the stream information. Properties toolbar –
Process sheet – Destination, see Figure 30 in the Chapter 40.4. To refresh the information in
the row 6 select Excel editor – Tools – Refresh.
Fig.8 You must specify the external stream amounts and temperatures on the Input-sheet.
You should fill only the streams that are coming outside to the process. Internal streams are
filled automatically when the process is calculated.
Oxygen feed is the last feed stream in our example. In the example, oxygen in fed to the
process 1.1 times the amount required. The formula made to the oxygen feed column (check
the row 6 described above) in the input sheet is: =ABS(Model!F12)*1.1
HSC MANUAL 6.0 41 - 10(9)
August 22, 2006
Saving the process, Chapters 40.2.6 and 40.2.7
Processes should always be saved in their own folder. The change of the process name is not
enough since every unit is an Excel file that is saved to the same folder as the flowsheet. The
name of these files is same as the name of units. Therefore you have to save also different
scenarios to different folders.
Running the simulation and checking the results, Chapter 40.8 and 40.8.1
When you have finished the model you can run the simulation. To run it you have to go to the
Run mode, Run – Start simulation or F5. First, you have to set how many rounds you
calculate the process and then press the Calculate button to start the simulation. You should
check if the values change during different runs to find out if the process is in balance. Then
you have the results and you can select a variable from the Variable selection box. The value
of the selected variable is presented in the value labels. Please see Figure 1.
Useful tools to manage the model
Here are briefly presented a few of the tools provided with HSC-Sim that make the creation
of the models easier. These tools are needed in virtually every simulation model.
Global Ce ll Editor, Chapter 40.15

− If you need the variables that are not present in the Variable type selection, this is
the easiest way to copy them to all units.
Variable Type Se le ction, Chapter 40.5

− It is advised to use ready-made variables when possible.
Distribution Wizard, Chapter 40.6.2 and Excel wizards, Chapter 56

− With wizards you can easily make a new unit.
Ele me nt Balance s, Chapter 40.10

− This tool is useful for checking if there are any balance errors in the process.
MANUAL
August 10, 2006
Outokumpu Research Oy 06120-ORC-T 50 - 1(9)

A. Roine , P. Björklund, J. Mansikka-aho Public
50 Data Fit Module
Fig. 1. Settings dialog of the HSC-Sim Curve Fit Module.
The chemical process models which are created by HSC-Sim are often based on experimental
data expressed in the function format. The HSC-Sim Data Fit module may be used to convert
experimental data points into functions. Of course, these functions may also be created by using
some other data fitting applications, however, the built-in HSC-Sim Data Fit module offers more
flexible links to the other HSC-Sim modules.
The HSC-Sim Data Fit module may be opened from the Excel Model menu with "Tools, Data
Fit…" selection. Fig. 1 shows the Settings dialog of the Data Fit module with one simple default
sample case.
The HSC-Sim Data Fit module offers versatile multi-regression, curve fitting and statistical
properties for linear and nonlinear functions. Up to 20 independent variables (X1, X2, X3, …)
and 100 parameters (A, B, C, …) may be used in these functions (models). The fitting may be
based on up to 65536 data point sets. The user may specify the function formula freely or use
one of the 370 built-in functions. Data Fit utilizes the robust Levenberg-Marquardt method with
double precision to perform nonlinear regression.
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August 10, 2006

Fig. 2. Data Fit module shows the results after the user presses Fit.
The user may easily test the default sample case by pressing Fit. This will run the fitting routine
and will release the results in tabular format on the left side of the form and in graphical format
on the right side of the form, Fig. 2.
Note that the Tool Tip Text gives brief information about the Data Fit controls. You may see this
information by moving the mouse pointer over the control. This manual will give more detailed
information.
Some sample cases may be opened by selecting “File, Open, …” from the menu.
Note that you may use Copy – Paste operations from the Edit menu, but also with the right
mouse button to copy data and text from other Windows applications to the HSC-Sim Database
module. For example, you may easily copy XYdata sets from Excel to the Data Fit module.
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50.1 Step by Step Instructions (Quick Start)
Fig. 3. The user may type a new function after pressing Cle ar All.
Basically, only the function formula and experimental data points are required to carry out the
data fit. However, it is also useful to take some other aspects into account:
1. Start ne w fit proje ct
Press Cle ar All, Fig. 3.
2. Se ttings She e t
Activate Settings sheet by pressing “1” in the bottom left-hand corner.
3. Numbe r of Variable s X
Specify the number of variables using the “Variable , …” menu selection, Fig. 3. If one
variable is selected then the “X” character must be used in the function, but if more
variables are selected then the X1, X2, X3, etc. names must be used. You may use either
upper or lower case characters (X or x).
4. Function Spe cification (Ye llow background ce ll in Fig. 3)
This is the most important step. It is recommended to use X as the variable name and A, B,
C, etc. characters as parameter names. The same function formula syntax may be used as
in Excel, however, do not use the “=” character at the beginning.
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August 10, 2006

Fig. 4. The X – Y data is always needed for data fitting. Note that Ydata is always specified in
the first column.
5. Othe r Spe cifications

Usually no other specification information is needed apart from the function formula
because this is created automatically, Fig. 3. However, sometimes the initial estimate is
needed for the parameters. The default initial estimate is always 1. The user may specify all
the information given in cells with a white background to describe the case in more detail.
Please do not edit the other cells.
6. Parame te r Range
This specification will make it possible to divide the X-number scale into ranges.
Parameters will be fitted separately for each range. However, this property is not available
in Data Fit version 1.0. It is only included to make the file format compatible with future
versions, Fig. 3.
7. Data
Function formula and data are always needed. Select “Vie w, Data…” from the menu or
press “2” to see the data sheet, Fig. 4. Type Y and X data onto the sheet, and you may also
use Copy-Paste to import data from Excel. Y is always given in the first column and X or
X1, X2, X3, … in the following columns. Note that you may use also text rows within the
data.
Color and size refer to the color and size of the points in the diagram. The user does not
need to specify these values. They may be needed only to change the default settings (red
MANUAL
August 10, 2006

and green).
Fig. 5. Results of Data Fit in tabular and graphical format.

8. Fitting
After you have specified the function and data you may try fitting by pressing Fit, Fig. 5.
The parameter A, B, C, … values are given in the left-hand table and the data points and
the function are shown on the diagram.
9. Re sults
The Data Fit module gives the results in tabular and graphical format. The module gives the
following results:
X Min, X Max X Data Range
A, B, C, .. Function Parameters
Error Model Standard Error
R2 Model R2 Value
SSR Regression Sum of Squares
RSS Residual Sum of Squares
10. No Solution
If the Data Fit module does not find the solution you may try to:
− Edit the function formula directly in the cell in Fig. 5.
− Edit the initial estimates in Fig. 3.
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August 10, 2006

Fig. 6. The user may add new points (green) by clicking the mouse.
11. Manipulating Re sults

Sometimes experimental points are missing but the user still knows, on the basis of other
information sources, the approximate path of the function curve. In these cases the user
may easily add new green points to the diagram by clicking with the left mouse button and
removing points with the right mouse button, Fig. 6. The user may also manually add and
remove trim points to and from the data table, Fig. 6.
The user may totally remove the green trim points with the right mouse button, but not the
original red points. The red points are converted to text values and not taken into account
when the user runs the Fit routine.
12. Build in Functions

The menu selection “Fit, Find Best Internal Functions” will test all the internal functions and
shows the function which gives the best fit for the given data points, Fig. 7.
Quite often the most complicated functions give the best fit for a small number of data
points, Fig. 8. However, it is very important to realize that this is often purely an illusion
caused by the low number of data points. Usually it is recommended to use the simplest
functions for the element distribution and content ratio coefficients, Fig. 9.
A large number of data points and knowledge of the background may sometimes justify the
use of the complicated functions.
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Fig. 7. Functions which give the best fit.
Fig. 8. Results when the first function is applied in Fig. 7.

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Fig. 9. Results when a more simple function is applied in Fig. 7.

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50.2 Built-in Internal Functions
Fig. 10. The user may select one of the 370 built-in functions using the Apply button.
The possibility to specify the user’s own custom functions makes the Data Fit module very
flexible for many different types of data fit projects. However, sometimes the built-in internal
functions offer a faster way to achieve results, see Chapter 50.1.11.
The Data Fit module offers 74 one-variable functions, 242 two-variable functions and 54
N-variable functions. The user may browse these functions from the menu by selecting
“Functions”, Fig. 9. The user may select any of these functions with the mouse and by pressing
“Apply”, Fig. 10.
The user may also save his/her own custom functions in this same Functions.XLS file by adding
them to User1, User2 and UserN sheets, Fig. 10. When the changes are ready the user may
save the new functions by selecting “File, Save, …”, Fig. 10.
MAP MANUAL 54 - 1(30)
Partly Demo Version

Antti Roine, Jarkko Mansikka-aho, Janne Palosaari
HSC Chemistry® 6.0 Software

HSC Map - Stock and Mixture Control Module
Manual
Antti Roine , Jarkko Mansikka-aho, Janne Palosaari

Appendices Chapter 55, 7 pages

Related Reports HSC – Sim Process Simulation Software, 04004-ORC-T
Project Number 24904 (2004)
Key Words Feed mixture, stock control, simulation
Avainsanat Syöttöseos, varastovalvonta, simulointi
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Abstract
HSC Map is location (GPS) base d stock control software . HSC Map is designed for feed
mixture calculation and raw material stock control. The basic idea is that the user may easily
collect the raw materials from the stock and calculate a single or multi mixture composition, in
order, for example, to obtain the proper copper and silica content and calorific value in the feed
mixture. The user may also test the calculated feed mixtures using the HSC Sim process
calculator before starting to use the new mixture.
The material location data may be used in the HSC Map software, because most concentrates,
fluxes and scrap materials look the same and the easiest way to identify them is the map location
data. Valid location data decreases material searching time and also the number of various
mistakes and errors when raw materials are transported in the stock field.
Precise feed mixture calculations are useless if the bucket charger has picked one wrong raw
material for the mixture. The GPS navigators are coming more common in trucks, bucket
charges, taxi, etc. this makes possible the utilization of location data also in the stock field.
The place location data is not always needed. HSC Map may also be used as a general material
mixture calculator based on the material analysis database. The user may select the materials
either from the stock or from the analysis database.
HSC Map may be used for feed mixture calculations but it may also be used to create a
worldwide register of raw materials, products, waste materials or chemicals. Map module helps,
for example, to find the locations which contain the given material property such as copper, gold,
arsenic, fuel value, etc.
HSC Map contains six modules. The Stock module shows the stock places and the materials on
the list. The Map module shows the stock places and properties on the map. The Diagram
module may be used to draw diagrams from the history file. The Mixture module is used to
calculate mixtures. The Be d module is a custom made version of the Mixture module for Bed
mixture calculations. The He lp module shows the HSC Help interface. This manual is a part of
the HSC Chemistry and Sim manuals and therefore the chapter numbers start from 54.
HSC Map stock database files contain confide ntial information such as raw material names,
amounts and analyses. Therefore each plant needs a different HSC Map installation CD and
HSC Map license. The software is the same but the material databases are different. The
geographical maps cannot usually be regarded as confidential information because anybody may
buy these from National Land Survey offices. Although HSC Chemistry is public software, HSC
Map and Sim extensions are meant for internal use.
Important Note :
Only an "e mpty frame " ve rsion of the Map module is de live re d with the HSC
Che mistry software . Usually this frame ve rsion ne e ds some customizing and tuning
be cause the stocks and practice s are diffe re nt in e ach plant. Ple ase take contact to
Outokumpu Re se arch Oy if you are inte re ste d in custom made Map applications.
Partly Demo Version

54. Map - Mixture and Stock Control
Fig 1. HSC Map user interface.

HSC Map is made for feed mixture calculation and raw material stock control. The basic
idea is that the user may collect the raw materials from the stock and calculate a single or
multi mixture composition and test the calculated feed mixtures using the HSC Sim process
calculator. The map location data decreases material searching time and the number of
mistakes and errors.
The HSC Map user may collect the raw materials from the stock list, map or from the
analysis database. If he/she decides to use the selected mixture then the HSC Map
automatically decreases the mixture materials from the stock and saves a change record in
the history database for this material change event.
HSC Map contains six modules which may be selected from the icons at the left side of the
screen. The Stock module shows the stock places and the materials on the list. The Map
module shows the stock places on the map. The Diagram module may be used to draw
diagrams from the history file. The Mixture module is used to calculate mixtures. The Be d
module is a custom made version of the Mixture module for Bed mixture calculations. The
He lp module shows the Help interface, which is common for HSC, Sim and Map.
HSC Map may be applied for many different types of raw material stocks and mixture
calculations. The Stock, Analysis and History databases and some maps may contain
confidential business information, therefore these files are specific for each plant.
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54.1 Terminology and Specifications

We have tried to use the clearest keywords in HSC Map. This chapter gives a short
summary and specifications of this terminology.
Stock The user may create any number of stocks. Each stock contains Stock, Analysis and
History databases. The Stock database consists of Place and Material Tables. The
path to stock databases is usually: C:\HSC6\Map\Stock.
Place The place is the base unit of the stock. The user may specify up to 65533 places into
one stock. The place contains properties such as Name, Size, Type, Location,
Address, etc. The place could be a warehouse, silo, rack, stockpile, tank, freezer, etc.
This data is saved into the Stock file. The place name is used to identify the place,
however, the software identifies the places internally using a Place Identification
Number.
Mate rial Nearly any type of material, item and goods may be saved in the stock places. The
material name is used to identify the material.
Prope rtie s Materials always have 123 fixed properties, such as amount, temperature, element
analysis, etc. In addition each material may have 133 individual optional custom
properties which the user may specify.
Analysis All material records have specific analysis fields, which makes it possible to save the
changes in material analysis in the History file. However, a separate Analysis
database is also available. This may be used to pick an analysis for the raw materials.
The analysis name and sample date are used to identify the analysis.
History HSC Map saves all material changes (amount and analysis) in the History file. This
history file makes it possible to draw diagrams.
Diagrams All diagrams are based on the History file, and usually the time scale is used on the
x-axis.
Database s Stock, Analysis and History databases are saved in unlocked Excel format.
However, in future they may also be hidden if this is necessary.
Maps HSC Map shows the stock places and material on the map. Nearly any type of map
may be used, for example, the ground plan of the stock warehouse or stockyard as
well as geographical maps. Maps with a rectangular coordinate system can be
calibrated to show the location coordinates in normal GPS format. You must always
take into account the Copyright issues when you are using the maps.
Datum The map datum specifies the Earth’s shape, one fixed point and the scale. Ie. datum
specifies which coordinate system is used for the given map. HSC Map always
saves the place location coordinates but also the datum information. This makes it
possible to show the places in the correct locations on any calibrated map.
Folde rs C:\HSC6\Map\Maps Map files (JPG, EMF, etc.)
C:\HSC6\Map\Mixtures Mixture and bed files
C:\HSC6\Map\Photos Photos of materials (JPG, EMF, etc.)
C:\HSC6\Map\Stocks Stock folders
C:\HSC6\Map\Stocks\Harjavalta Harjavalta stock files (Analysis, Stock, History)
etc.
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54.2 HSC Map User Interface
Fig 2. HSC Map user interface when all modules are visible.
The HSC Map user may select the visible modules on the screen using “View, Toolbars,…”
and “Window, …” menu selections, in the same way as in MS Excel. For example, only the
Stock module and Material Toolbar are visible in Fig. 1. whereas all four modules and
Material Toolbar are visible in Fig. 2.
The user may resize, hide and edit module views quite freely. Note that the Material Toolbar
is automatically linked with the Stock, Map and Mixture modules.
HSC Map automatically saves user-defined settings, such as the last selected stock and map
names in the HSC_Map1.INI and HSC_Map2.INI files. HSC Map reads these files the
next time you start the HSC Map. This makes HSC Map remember the last user settings. If
you want to reset all the settings to the default settings, please delete these files from your
\HSC6\folder.
You may scroll the map by holding down the left or right mouse button in the same way as in
Adobe Reader. You may zoom using the Zoom button, but also with the mouse wheel and by
holding down “Alt Gr”, the mouse pointer specifies the zoom centre. The mouse wheel may
also be used to scroll up and down the map and also left and right by holding down “Shift”
key.
The language (English, Swedish, Finnish, etc.) selection is not ready in the first HSC Map
version 1.0.
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54.3 HSC Map User Settings
Fig 3. Material Toolbar user settings may be changed using Filters Dialog.
The Material Toolbar shows the properties of the active material in the Stock, Map and
Mixture modules. Materials always have 123 fixed properties, such as amount, temperature,
element analysis, etc. In addition each material may have 133 individual optional custom
properties which the user may specify. Usually only a limited number of properties are
needed.
The user may select the visible properties using the Filters Dialog, Fig. 3. The Show All
selection shows all properties and Show None shows nothing. The Filters Dialog does not
delete or remove data or properties, it only makes them visible or invisible. HSC Map
remembers the last Filters settings until the user makes more changes.
Partly Demo Version

Fig 4. Mouse right-button menu in the Stock module.

The mouse right-button menu in the Stock module may be used to copy data, and also to copy
material information to the Mixture and Bed calculators, Fig. 4. The last three options may be
used to change the outlook of the Stock module. For example, the last option “Manage
Stock Columns…” opens a dialog where you can specify the visible columns of the Stock
module, Fig. 5.
These menu options have no effect on the data content of the stock databases.
Fig 5. Selection of visible Stock module columns.

Partly Demo Version

Fig 6. Cell Format dialog.

Cell Format Dialog, Fig. 6 makes possible to change, for example, the number and Alignment
format in the Material Toolbar, Fig. 3. This Dialog is quite similar than used in the MS Excel.
You may open the Cell Format Dialog by clicking the cell and pressing the right mouse button
in Material Toolbar.
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54.4 Adding and Selecting Stocks

The stock files may contain confidential business information. Therefore Outokumpu
Research Oy supplies the HSC Map CD with a custom-made default stock file with the
user’s stock data, i.e.. each plant has a different HSC Map CD. Most geographical maps do
not contain confidential data, because these may be bought from public sources.
It is easy to create new stocks in HSC Map using the “File, Create New Stock” dialog, Fig.
7. After creating a new stock the user may activate the stock using the “File, Open Stock”
dialog, see Fig. 8. The number of stocks is unlimited. The stock may contain any type of
object, like materials, screws, motors, cars, milk, clothes, beer, etc.
The new Stock folder always contains empty Stock, Analysis and History database files in
Excel 2000 format. These may be locked and hidden in future if needed.
Fig 7. Creating a new stock using the File, Create New Stock” dialog.
Fig 8. Selecting a new stock using the “File, Open Stock“ dialog.
Partly Demo Version

54.5 Adding and Selecting Maps
Fig 9. An active map is selected using the drop down list. The stock places can be seen on
the map if the place locations exist on the visible map area. The active place is shown in red.
Some default maps are supplied with the HSC Map CD. The HSC installation routine installs
these maps in the HSC installation folder, for example:
C:\HSC6\Map\Maps
The user may also add his/her own maps to this same folder. Valid map file formats are:
Bitmaps: JPG, BMP, GIF, etc. (Large zoom setting makes pixels visible)
Ve ctor: EMF, WMF, etc. (Large zoom setting do not show pixels)
Most geographical maps cannot be regarded as confidential business information, because
anybody can order such maps from public sources. For example, from:
http://www.maanmittauslaitos.fi/
HSC Map version 1.0 supports rectangular map coordinate systems with any plotting
scale s, origin shift and rotation angle s. The same Latitude-Longitude degrees and UTM
based kilometers may be used as found from GPS based navigators. See coordinate system
details from Chapter 55. Map Basics. The new map must, however, be calibrated before it
shows the places and coordinate values.
IMPORTANT: You must always take into account the Copyright issues when you are using
the maps.
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54.6 Map Calibration
Fig 10. HSC Map calibration dialog. The Map may easily be calibrated by setting the Start
and End points of the calibration line.
All maps which are delivered with the HSC Map CD have already been calibrated.
However, new maps must be calibrated before they can be used. This is done by selecting
“Tools, Calibrate Map, …” from the main menu.
The Map Calibration dialog is shown in Fig. 10. The basic procedure is:
1. Select map coordinate system, see details from Chapter 55. Map Basics.
2. Move the calibration line Start and End points to the location for which coordinates are
available. You may use map grid points as in Fig. 10. or you may select two objects
(house, crossroad, border, etc.) from the map whose coordinates you have measured
with the GPS navigator. You may scroll map using mouse right button or mouse wheel.
3. Type the Start and End point coordinates in the dialog.
4. You may also type some caption or header to the map if you like.
5. The Apply button calibrates the map using the given data.
6. The OK button calibrates the map and closes the dialog.
7. If you do not want to make changes press Close.
8. The Reset button sets the calibration line at the top left corner of the map.
You may test the map by selecting some point which coordinates you know. Outokumpu
Research Oy main entrance (red point) has been selected in Figs. 11, 12 and 13.
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Fig 11. Outokumpu Research Oy location in UTM kilometer format.
Fig 12. Outokumpu Research Oy location in UTM Degree format.
Fig 13. Outokumpu Research Oy location in WGS-84 Degree format. This format is
commonly used by the GPS navigators.
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54.7 Adding Places to Stock
Fig 14. HSC Map Place Editor makes it possible to edit existing places and create new ones.
The default stock that is delivered with the HSC Map CD usually contains the main stock
places. However, the user may easily add new stock places using the “Tools, Manage
Places…” menu selection and Place Editor tool, Fig. 14. The user may specify up to 20
properties for the place. The location properties must be specified in order to put the place on
the map.
The easiest way to specify the place location data is to press “Se t Point” and click the map
on the right location. This procedure may be repeated as often as necessary. You may scroll
the map by keeping mouse right button down and moving the mouse.
“Add Ne w Point” makes it possible to create a new place by giving a name to the place.
Then the other data will be specified using Place Editor, Fig. 14. Four different place types
are available:
1. Virtual Place : “Recycle bin” which is used to reset material amounts.
2. Input Place : Input source for the stock (Ship, train, other stock, etc.)
3. Normal Place : Normal stock place (warehouse, bin, heap, etc.)
4. Output Place : Output destination (process, ship, train, etc.)
The basic idea is that material only accumulates in the Normal Place.
Partly Demo Version

If the place is not in use then you may hide it using “Hide Place ”. You may also remove the
place from the stock using the “De le te Place ” dialog. However, it is not recommended to
delete places from the stock, because if these places have been used in the History database,
then this place information can no longer be retrieved.
Note that you may edit nearly all the place data in the table, and this data will be saved in the
Place database when you press “Save ”. The minimum data needed are:
1. Start Date (Automatically created when you add a new place)
2. Place Name (Do not use duplicate place names)
3. Place Type (Recycle, Input, Normal, Output)
The user identifies the places using a place name. A place name may be renamed because
the software identifies the places using the Place ID number, which cannot be changed. The
Place ID is not visible to the user.
The user may specify the size, location and address data of the place in the place table. You
may use either a kilometer- or degree-based coordinate system. However, you must first
specify the coordinate system (map datum). The Place database uses only
Latitude-Longitude data to identify the locations in the map.
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54.8 Adding Material to Place
Fig 15. The Add Material Dialog may be used to add new material to a stock place.
Material can only be added to existing stock places. Note that you may add any types of
materials to stock places such as concentrates, gases, liquids, screw nuts, motors, cars, etc.
Material may have up to 133 user-specified properties.
You may also add several different materials to one stock place. If the material name is the
same as one existing in the stock already then the amount will be summed up.
Use the “Add Material to Place” dialog to add material to stock places:
1. Select “Add…” from the Material toolbar, Fig. 14.
2. Select the place from the list, Fig. 15.
3. Give the name of the material. You may use any name, however, it may be wise to
follow some rules. For example, the concentrate name and year may be an illustrative
name, because the concentrate composition may change (Concentrate N 2004).
4. Give the amount in metric tons.
5. Give the Author Name. You need to give this name only once, because HSC Map will
remember the last used Author Name.
6. Press “Add” and “Close ”. HSC Map automatically saves the new material information
in the Stock and History databases.
7. Specify the composition of the new material by typing in the Material toolbar, Fig. 14, or
using the “Change…” dialog. See chapter: “54.11 Analysis Selection Dialog”.
IMPORTANT NOTE: Do not use the “Add Mate rial” dialog to fix errors in material
weighing and transporting. Instead please use the “Re se t” dialog to reset observed and
verified measurement errors. This makes it possible to read the History records correctly.
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54.9 Transporting Material
Fig 16. The Transport Material dialog may be used to transport material.
Material may be transported only between existing places. You may carry out the transport in
the following way:
1. Select the source place and material from the Stock or Map.
2. Select “Transport…” from the Material toolbar, Fig. 14.
3. Select the Destination Place from the list, Fig. 16.
4. Specify the Transfer amount, Fig.16.
5. Press “Transport”. This will carry out the transfer and save the changes in the Stock
and History databases.
You may also add several different materials to one stock place. If the material name is the
same as the existing one in the destination place then the amount will be summed up.
Note that you may carry out a material transfer even if the material amount in the source
place is negative. This is because in reality there might be material in the stock, although it
should be empty according to the history records.
IMPORTANT NOTE: Do not use the “Transport Mate rial” dialog to fix errors in
material weighing and transporting. Instead please use the “Re se t” dialog to reset the
observed and verified measurement errors. This makes it possible to read the History records
correctly.
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54.10 Resetting the Material Amount
Fig 17. Reset Material Amount makes it possible to fix errors in the material amounts.
Quite often in the real world the material balance in the stock place is not exactly the same as
that calculated from the history records. This may be verified by occasional inventory
measurements or simply by resetting the material amount to zero when the place is really
seen to be empty.
The material may be removed from the stock by using the “Re move Row from Stock”
option. This procedure also saves the relevant data in theHistory file. If the material is the last
one in the active stock place then the stock place row becomes empty, i.e. it does not delete
the empty stock place.
Cle ar selection closes the dialog.
Cle ar Place button will clear all the materials from the active place. Ie. it resets the amounts
to zero and removes the material names from the place.
Re se t button resets only the active material amount.
IMPORTANT NOTE: The only way to read the History records correctly is to carry out
the material amount fixes and corrections using the Reset Dialog.
Partly Demo Version

54.11 Analysis Selection Dialog
Fig 18. Analysis Selection Dialog.

The Analysis Selection Dialog may be used to pick up analyses for the materials in the Stock,
Map and Mixture modules. The Analysis Dialog uses four different Source s:
1. Material analyses of Stock materials.
2. Material analyses of Bed mixtures.
3. Analysis Database analyses.
4. Stream file analyses.
The Analysis Type filter (TYYPPI) may be used to show only limited types of materials. The
user may change the analysis data in the right hand table and save the new data using
“Save ” in the Analysis database or in the Stream file using “Save Str”. “Re move ” makes it
possible to remove the active analysis from the Analysis database or the Stream file.
The user may connect the new analysis to the Stock material by pressing “Add” or using the
mouse right button menu. The same procedure (and also multi selection) may be used to pick
up analyses for the Mixture modules.
Partly Demo Version

Fig 19. Analysis Selection Dialog with Image selection.

The Analysis Selection Dialog also shows images of the active material. You may enlarge the
image to fill the whole screen by clicking it with the mouse. The user may add new images to
the C:\HSC6\Map\Photos folder. The Analysis Dialog shows all the photos where the name
starts with the same word as that of the active material, i.e. Concentrate B…
Nearly any type of photo may be used. Photos may be extremely useful when classifying
different scrap materials. The photos may have a text caption which may be edited.
Partly Demo Version

54.12 Combining Two Analyses
Fig 20. Analyses Combination Dialog.

The mouse right button popup menu selection “Unite Analysis 1 to 2” opens the “Unite
Analysis Dialog, see Fig. 18. This tool may be used to combine an old analysis of the same
material with a new one and to find all the available element analyses.
The “Unite Analysis” dialog makes it possible to combine two analyses in two ways. The
“Re place Empty Fie lds” selection uses Analysis 1 data rows only if the corresponding row
of Analysis 2 is empty. “Re place Available Fie lds” makes the replacement if Analysis 1
data is available. In fact the user may also change the data manually.
The “Save ” selection saves the combined analysis in the Analysis Database.
Partly Demo Version

54.13 HSC Map Databases

HSC Map uses four database tables for each stock, Fig. 21. The HSC Map user may view
the contents of these tables using the “View, Database…” menu selection. Please do not edit
these tables if you are not absolutely sure of what you are doing. You may also use MS
Excel to edit these tables. However, never:
1. Insert or remove columns.
2. Mess up Place ID data. HSC Map uses Place ID to connect Materials and Places with
each other.
3. Delete Place row if it is used in the Material or History table.
Fig 21. HSC Map Database Tables. The Material table contains the list of available
materials. The user and also the software uses the material name internally as a keyword.
Therefore it is sensible to use illustrative material names.
Fig 22. The Analysis table contains the data of all available analyses. Use “Analysis
Selection Dialog” (Chapter 54.11) to edit these analyses.
Partly Demo Version

Fig 23. The Places table contains the data of available places in the stock. Do not delete any
place used in the Material or History table. Please use “Place Editor” to edit the place data.
The user may use place names to identify the places, however, the software uses Place ID to
identify the place, and the ID number may be in any order.
Fig 24. The History table contains the records (rows) of every material amount or analysis
change. The History table is used to draw diagrams.
The Caption shows the path to the database files, which you may edit with MS Excel. These
database files may be locked and hidden in future if necessary.
IMPORTANT: Please note that you may save backup files of the Analysis.XLS,
Stock.XLS and History.XLS files using the “File, Create Backup Files” selection. This will
save backup files using the original names completed with the backup date.
Partly Demo Version

54.14 Mixture Calculator
Fig 25. Three materials have been selected from the Stock list for the mixture. The “Send to
Mixture” option is opened using the right mouse button.
HSC Map Mixture calculator may be used to calculate compositions of one or many
combined mixtures. The mixture materials may be collected from the stock list, analysis
database or from the stream files using the right mouse button. The selected materials end up
on the active sheet and row of the Mixture calculator, see Fig. 26.
Fig 26. Three materials have been copied from the Stock list to the Mixture Calculator.
Partly Demo Version

Fig 27. Calculated mixture (Rikasteseos) composition.

The user must specify the total amount (400 t) of the mixture and the composition (50, 30, 20
%), i.e. the cells marked in green in Fig. 27. The calculator then shows the mixture
composition on the Material Toolbar if the mixture row is active.
Fig 28. Two mixtures (Rikasteseos and Silica Flux) on the same sheet.
The user may specify any number of mixtures on one sheet, Fig. 28. The Material Toolbar
shows the composition of the active row. The user may change the compositions of the
mixture materials, and this has no effect on the Stock or Analysis databases, unless this
analysis is saved using “Save …”.
All mixture sheets Mix1, Mix2 and Mix3 are identical and may be used in the same way.
The “multi mixture” composition may be found from the row marked in yellow. Rounds
(Kierrokset) selection may be used to multiply the amount of the mixture.
Partly Demo Version

Fig 29. Calculated multi mixture composition based on mixtures in Mix1, Mix2 and Mix3.
The total “multi mixture” composition of all the Mix1, Mix2 and Mix3 sheets may be
calculated by pressing “Calculate ” (Laske). The results are shown on the Print sheet, Fig.
29.
The user may give the name, author and date information for the calculated mixture and save
this mixture using Save (Tallenna) button. The saved mixture files have a “.mix” suffix.
Saving the mixture has no effect on the Stock, Analysis and History databases.
Fig 30. The Material Transfer dialog creates a summary of all the material changes.
The “Run” (Ajoon) button may be used to transfer the mixture materials from the original
stock places to the destination place of the mixture. The Material Transfer dialog shows the
summary of all the material changes with material name, amount, balance, source and
destination places.
IMPORTANT: Please remember to check that the start date, author name and other data
are OK before your accept the transfer using “Run” (Ajoon) because this routine carries out
the transfer and saves all the changes in the History table.
Partly Demo Version

54.16 Using Mixtures in HSC Sim
Fig 35. The right mouse menu of the Mixture and Bed modules.
The “Talle nna analyysi STR tie dostoon” selection of the mouse right menu makes it
possible to save the analysis of the mixture or any other active material row in the STR –file,
which may be used as a feed mixture in the HSC Sim Process Calculator module. The direct
use of this STR file in the HSC Sim Flowsheet module is under construction.
Partly Demo Version

54.17 Diagrams
Fig 36. Diagram Data specification dialog.

The HSC Map Diagram module is made for drawing diagrams of History data. For example,
it may be used to illustrate the decrease of some raw material amount in the stock as a
function of time. The default x-axis is always the change event date and the y-axis is usually
the amount in metric tons. However, the user may select also other axis units.
The Diagram module may be activated by pressing the Diagram button on the left side of the
screen, Fig. 34. Then you must press Ge t Data to specify the data which is collected to the
diagram. The Collect Data dialog makes it possible to specify the x- and y-axis data which is
collected to the diagram.
First select the x- and y-axis data types, then specify the material and place and the start and
end dates, see Fig. 36. When this is done you may press Colle ct Data, which will collect
data from the History file, Fig. 37. Note that Diagram module does not make any changes to
the HSC Map database files. So you may test freely.
When you are happy with the collected data you may press the Diagram button (Fig. 37) to
see the diagram, Fig. 38. You may also Copy-Paste the data to Excel or save the data table
in Excel format using the Save dialog.
You may change the number format of the x- and y-axis using the Format button, Fig. 37, or
by clicking the axis, Fig. 38.
The aim is to improve the Filte r and Format options in Fig. 36 on the basis of HSC Map
user feedback after the first HSC Map version is ready. This will be an easy task when the
basic HSC Map program routines are ready.
Partly Demo Version

Fig 37. Diagram Data have been specified and collected.
Fig 38. Final Diagram with the specifications shown in Fig. 37.
Partly Demo Version

54.18 Map View Mode
Fig 39. Map View Mode.

The Map View Mode dialog makes it possible to specify the data type which is used to draw
the place points to the map. The Mode button is used to open this dialog. Three types of data
my be drawn on the map:
1. Place : This shows all places. The diameter of the point illustrates the amount of material
in this place.
2. Mate rials: This will show the places which contain selected material. The diameter of
the point illustrates the amount of the material.
3. Analysis: This selection may be used to find the places which contain a lot of silver,
copper, sulfur or any of the available analysis properties.
The Radius range specifies the size of the smallest and largest point. The Value s range
specifies the smallest and largest value used to draw the points. For example, if the value is
larger than the specified maximum value the point radius gets the maximum value.
In the next HSC Map version a lot of new properties may well be added to the Map View
Mode Dialog according to user feedback.
HSC MANUAL 55 - 1(8)
December 17, 2004
Outokumpu Research Oy 04217-ORC-T

Antti Roine, Jarkko Mansikka-aho, Janne Palosaari Public
55. Map Basics
Fig. 1. World Map with Latitude-Longitude coordinates.

Usually the normal HSC Map user does not need to know the map coordinate system
details which are summarized in this chapter. However, if you add your own maps to
the HSC Map module “C:\HSC5\Map\Maps” folder, it may be useful to read this
chapter first.
The traditional latitude-longitude map coordinate system is shown in Fig. 1. The
equator divides the earth into the northern and southern hemispheres. The N and S in
the Y-axis scale stand for North and South. The X-axis zero point has been fixed at
Greenwich, London. This divides the Earth into western and eastern hemispheres. The
W and E stand for West and East in the X-scale.
The location data may be specified using various syntaxes. Traditionally, the Y-axis
coordinate is given first and then the X-axis. For example, the location of the
Outokumpu Research Oy main entrance (red point in Fig. 1.) may be specified in the
following way:
Y-axis X-axis Syntax Datum Comme nt
Latitude Longitude
N 61° 27.727' E 21° 52.068' dd°mm.mmm’ WGS-84 Default in GPS
61° 27.727' N 21° 52.068' E dd°mm.mmm’ WGS-84 Older syntax
N 61° 27' 43.6" E 21° 52' 4.1" dd°mm’ss.s” WGS-84 Seconds also
61.46198333 21.87126667 dd.ddddddd UTM Decimal format
N 61° 27.719' E 21° 52.276' dd°mm.mmm’ UTM National
N 61° 27' 43.2" E 21° 52' 16.5" dd°mm’ss.s” UTM National
6817.447 km 1546.457 km UTM National
HSC Map supports all these formats and many others. Digits: d = degree, m = minute,
s = second.
December 17, 2004

55.1 Map Datums

The map datum specifies the Earth’s shape , one fixe d point and the scale . Due to
historical reasons, countries often use their own national datums in their maps.
The Earth’s shape is far from a perfect sphere. Its shape is fixed by specifying the
e llipsoid, which may be used for trigonometrical location calculations, Fig. 2. The
Ellipsoid is a smooth mathematical surface that best fits the shape of the earth surface.
The required parameters are:
a = Earth radius at equator = Semi Major Axis = 6378.137 km (WGS-84)
b = Earth radius at poles = Semi Minor Axis = 6356.752 km (WGS-84)
f = Flattening = (a-b)/a = 0.0033528106647 (WGS-84)
e = Eccentricity = 2 * f – f ^ 2
Fig. 2. Earth shape modelled with a geometrical ellipsoid.

The current worldwide ellipsoid standard is called the WGS-84 (World Geodetic
System 1984). This datum is used commonly in GPS navigators (GPS = Global
Positioning System).
National datums may be converted to this format using the national ellipsoid data with
DX, DY and DZ parameters which describe the national datum shift to the WGS-84.
Ie. the national datum fixed point shift to the WGS-84. The basic datum-point of
Finland is the Observatory of Helsinki. These shift values specify the origo shift in the
Cartesian based x-y-z-coordinate system in the middle of the earth.
The HSC Map Datum Database contains several national datums, i.e. specification
of the ellipsoid and shift values to the WGS-84 datum. You may see this data by
selecting “Tools, Datums,…”. You may also add your own data to this file, for
example, using MS Excel. However, do not add new columns to this file. The path of
this file is usually: “C:\HSC5\Map\MapDatum.xls”.
The difference between the national datum location points is usually less than 200 –
300 meters compared to WGS-84. For instance, this difference cannot be seen on the
large-scale maps like Fig. 1. In Finland the shift is roughly 200 m. The HSC Datum
Converter may be used to estimate the effect of the Datum shift on the location
December 17, 2004

coordinates. Select “Tools, Translator 3…” from the main menu, Fig. 3.
Fig. 3. Map Datum Converter converts Datum 1 location data (decimal format) to
Datum 2 location data. Shift values DX, DY and DZ describe the difference between
Datum 1 and 2 fixed points in x-y-z-coordinate system, which origo is in the middle of
the Earth. X-axis points to Greenwich, Y-axis to Equator 90° East from Greenwich
and Z-axis points to North Pole.
December 17, 2004

55.2 UTM Coordinates (Kilometer Coordinates)
Fig. 4. Default UTM zones of the world.

National maps are typically based on kilometer coordinates, because the distances and
areas are easy to calculate on these maps. These km-based coordinates are, however,
valid only within a limited latitude-longitude range, because the Earth is spherical and a
ball-shaped surface is impossible to convert to two-dimensional form without a large
distortion, Fig. 4. However, for a limited surface range it is possible to carry out the
conversion with reasonably low distortion and error.
The UTM (Universal Transverse Mercator) projection is the most common method to
convert the limited area of the spherical latitude-longitude map in a flat
two-dimensional form, Fig. 5. Usually the width of the UTM zones is 6°.
Fig. 5. The default width of the UTM zone is 6°.

The UTM zone Y-coordinates describe the distance from the equator. The
X-coordinate describes the distance from the UTM zone central meridian (i.e.
longitude line from North to South Pole). Commonly, in order to get nice looking
number values the False Easting and False Northing parameters are used.
December 17, 2004

December 17, 2004

Fig. 6. Currently used UTM (Gauss-Krüger) zones in Finland. Central meridians are
21°E, 24°E, 27°E and 30°E. These maps are also called KKJ-maps.
Finland uses slightly modified UTM projection type (Gauss-Krüger), the zone width is
only 3° and the Scaling Factor is 0.9996 instead of 1.0. The basic datum-point of
Finland is at the yard of Observatory of Helsinki.
Small countries often use only one UTM zone, however, large ones need more. For
example, Finland uses 6 zones of which the central meridians are: 18, 21, 24, 27, 30 and
33°. The most common ones are 21, 24, 27 and 30°, Fig. 5. At the west coast the
following UTM parameters are used:
- Ce ntral Me ridian 21°
- False Easting -1500 km
- False Northing 0 km
These values specify the coordinate scale which is used in Finnish UTM
(Gauss-Krüger) maps.
December 17, 2004

Fig. 6. Latitude, Longitude – UTM Grid Converter.
You may use the HSC Map Latitude, Longitude – UTM Grid Converter to test the
effect of the UTM datum on the coordinate values, Fig. 6. The UTM converter may
be opened from the HSC Map main menu “Tools, Translator 2…” selection.
You may see some national UTM parameters by selecting HSC Map main menu
“Tools, Datums,…”. You may also add your own data to this file, for example, using
MS Excel. However, do not add new columns to this file. The path of this file is
usually: “C:\HSC5\Map\ MapDatum.xls”.
IMPORTANT:
1. If you add and calibrate new maps to HSC Map please remember to select the
valid map Datum first. If you select the wrong one the coordinates will be in error.
2. HSC Map version 1.0 supports only UTM and Latitude-Longitude maps with the
same Y- and X-scale. These maps are often called Equirectangular Mercator
Projection, Cylindrical Equidistant Projection or Plate Carr maps.
3. HSC Map supports origo shift and rotation in all maps.
December 17, 2004

55.3 HSC Map Datum Database
Fig. 7. HSC Map Datum Database.

You may open HSC Map Datum Database using main menu selection “Tools,
Datums…” or you may use Excel to open the file:
C:\HSC5\Map\ MapDatum.xls
This file do not contain all possible datums (some 12000 may be found) but you may
easily add the missing datatum by inserting a new row to the datum table. However, do
not insert or delete colums, because then HSC Map reads the datum record data from
the wrong data fields.
December 17, 2004

55.4 Location Data Error Sources

The GPS navigator gives usually the error in meters, it depends on the local conditions
and the number of visible satellites. Usually the error is a few meters.
The national datum shift compared to WGS-84 is usually less than 300 meters, in
Finland this shift is some 200 meters. The Datum conversion error using DX, DY and
DZ parameters is some meters because it does not take into account the Scaling
Factor and rotation shift of the x-y-z-coordinates.
HSC Map saves the Stock Place location data using national datum because the DX,
DY and DZ parameters may vary.
The Latitude-Longitude and UTM conversion error is usually small within the given
UTM zone, however, outside this zone the error increases a lot.
The rounding-up error depends on the location value syntax. One degree is roughly
111.3 km and one minute is 1.8 km and one second is 30.9 m. On this basis some
examples of the the syntax errors may be given as:
Syntax Rounding-up Error (me te rs) Comme nt
N dd.mm.ss 15.46 m Seconds
N dd.mm.mmm 0.928 m Decimal minutes
N dd.ddddd 0.556 m Decimal degrees
N dd.dddddd 0.056 m Decimal degrees
The North and South Pole and continents move slowly, the dimensions of the earth
change, the WGS-84 ellipsoid specifies the earth shape approximately. So nobody
knows which are the absolutely correct place coordinates.
HSC MANUAL 6.0 56 - 1(5)
August 10, 2006
Pertti Lamberg and Tuukka Kotiranta 06120-ORC-T
56. Sim Flowsheet Excel Wizards

General
Excel wizards are a quick way to set up the units according to models and also a way
to store the models to be used in different process simulations. Ofcourse you may
create units manually (fill the Model-sheet using the same syntax as in MS Excel) but
Excel wizards may be used to automate the creation of the most often used unit types.
HSC Sim Excel wizards are Excel files where each sheet is a wizard of its own. The
content of the wizard is copied in the “Wizard” page of the unit (created if not existing)
and wizards are applied by running the wizard. The upper part of the wizard is copied
to the Model page and the lower part of the wizard makes appropriate changes to the
unit using the command lines.
How to use the existing wizards?

Units can be prepared with wizards. Wizards are stored in Microsoft Excel files in the
HSC Chemistry installation folder …\Sim\Wizards\… in which case wizards are called
up from a unit by selecting it in the menu of Excel model of the unit.
1. Wizard – Load Exce l Wizards… , Figure 1
Figure 1. Selection of Excel wizards in a unit.
HSC Sim loads the wizard navigator and shows all the folders in the Wizard folder on
the left side, below that the files of the selected folder and then on the right side all the
sheets of the selected file are shown.
Select the appropriate folder, file and sheet and click OK. The content of the wizard
will be copied onto the wizard sheet of the unit. If the sheet is missing, HSC Sim will
create one.
HSC MANUAL 6.0 56 - 2(5)
August 10, 2006
Figure 2. Selecting a wizard (Folders – Files – Sheets).
Now you can study the wizard and check if it is the correct one. To apply select
2. Wizard – Run Exce l Wizard, Figure 1
Figure 3. Wizard opened in a unit. Wizard creates a wizard –page and the content is copied
onto it. The upper part is the model reference part and the lower part consists of command
lines.
HSC MANUAL 6.0 56 - 3(5)
August 10, 2006
You can rerun the wizard at any time. The original command lines remain in the
“Wizard” sheet of the unit.
How to create a wizard?

You can create a new wizard with Microsoft Excel. The easiest way is probably to
open an existing one and first copy the structure of the most appropriate wizard and
then make changes.
It is important that column A is left empty up to the line where the command lines
start, because an entry in column A will separate the wizard into an upper and lower
part.
• The upper part of the wizard is copied as it is onto the Model page of the unit
• The lower part consists of commands which are run to make changes in the
unit
Command lines
The diffe re nt parts of the wizard she e t are ide ntifie d in the A column. The
uppe r part is at le ast rows 1-10. Any e ntry in the first column be low row 10
marks the be ginning of the lowe r part, i.e . the commands. The te xt “She e t”
should e xist in the ce ll of the B column and the rows following it are the
command line s.
Columns B-F give the destination of the command, G-K give the source of the
command and L-O define the command.
B C D E F G H I J K L M N ….
De stinatio Sourc
n e
Shee t Acolumn Bcolumn Row No. Col No. Sheet Acolumn Bcolumn Row Col Formula Function Command Prompt
No. No.
Input * 4 =SUM($E14:$S14)
Output * 4 =SUM($E15:$S15)
Output * 5 =Input!$D16
HSC MANUAL 6.0 56 - 4(5)
August 10, 2006
Table 1. Structure of the command lines. Column A is empty.
C o lum Name De finition

n
B Destination The name of the sheet where a new formula or value is written. (For
example: Input or Output)
Sheet
C Destination The value required in the A column to identify the row where the new
formula or value is written. This is usually used with the Input and Output
Acolumn
sheets. Here, you can use * for a wild card. (For example: P1, M.P.* or *)
D Destination The value required in the B column to identify the row where the new
formula or value is written. Can be used independently or with the previous
Bcolumn
rule. Here you can use * for a wild card. (For example: H2SO4, Au or *)
E Destination The row number on the destination sheet where the new formula or value is
written. This is used independently and usually for the Model or Control
Row No.
sheets. If you use this, please leave columns C and D empty. (For example:
4 or 10)
F Destination The destination column number. You can use either the column number or
any text. With a text the program asks which input or product column will
Col. No.
be used when the wizard is executed. Please fill prompt column if you use
text. (For example: 5 or Underflow)
G Source Source sheet name. (For example: Input or Output)
Sheet
H Source The value required in the A column to identify the row the value is taken
from. This is usually used with the Input and Output sheets. * is used for a
A column
wild card, i.e. for any characters following. (For example: M.P.* = any
lines where an entry in the A column starts with M.P.; * = any lines where
the A column is not empty)
I Source The value required in the B column to identify the row the value is taken
from. Can be used independently or with the previous rule. (For example:
B column
H2SO4, Fe*)
J Source The row number on the source sheet the value is taken from. This is used
independently and usually for the Model or Control sheets. If you use this,
Row No.
please leave columns H and I empty. * indicates that the row referred to is
the same as where the command is placed, i.e. the same as the destination
row. (For example: * or 5)
K Source The destination column number. You can use either the column number or
any text. With texts, the program asks which input or product column will be
Col. No.
used when the wizard is executed. Please fill prompt column if you use text.
(For example: 5 or Underflow)
Use preferentially the above given ways to refer to the cells. If desired you can refer to cells by Formula
(column L, as given below) but since the value is copied you have to be careful as the formula changes
when it is copied to a different location. You should use $-character to prevent the change of the
formula.
If the direct cell reference or formula cannot be made with the desired procedure there are a few other
ways, i.e. functions and commands that can be used as described below. If you use a formula (L column)
HSC MANUAL 6.0 56 - 5(5)
August 10, 2006
or a command (N column) the source area must be left empty. You can combine these two with the
function column (M) but each command must be in a different row and the function must be filled to the
latter command row. Please look at the wizards provided with HSC-Sim if you need an example.
L Formula In this you can write a formula. It is copied to the destination cell without
any modification if you use $-character in the formula. The equals character
is not obligatory. (For example: SUM($E$14:$S$14) or Model!$E$10)
M Function To aggregate cell formulas. @ refers to the current cell content and #
refers to Source. E.g. @*# modifies the current content of the cell so that it
will be multiplied by the cell indicated in the Source. You can use most
Excel commands, e.g. Column(@) will return the number of the column
defined in the Source.
N Command With commands you can for example copy the selected cell down and the
formula is changed according to Excel copying rules. If you use this, the
source references, formula and function columns must be empty. The list of
available commands is presented in Table 2.
O Prompt Prompt for the user when the source column is asked (column K).
Table 2. Description of available commands.

Commands Parameter (in Action Example
parenthesis)
CopyDown(n) Number or cell address Copies the destination cell CopyDown(nMinerals)
down n times (if missing or zero
then once)
CopyRight(n) Number or cell address Copies the destination cell right CopyRight(10)
n times (if missing or zero then
once)
HorizontalArray(n) Number of rows Creates based on destination HorizontalArray(nSizeClasses)
cell by copying a horizontal
array of n size, equals
CopyRight(n-1)
VerticalArray(n) Number of columns Creates based on destination
cell by copying a vertical array
of n size, equals
CopyDown(n-1)
TableRC(n;m) Number of rows; Creates based on destination
Number of columns cell by copying a table of n
rows and m columns
NMinerals - Gives number of minerals
NSizeClasses - Gives number of size classes
nSizeFractions - Gives number of size classes
NPhases - Gives number of phases
nSpecies() Number of the phase Gives the number of species in nSpecies(2)
the phase
nOutputStreams - Gives number of output streams
nInputStreams - Gives number of input streams
IfExit - If source = Formula then exit
wizard
HSC MANUAL 6.0 55 - 1(13)
August 10, 2006
Pertti Lamberg and Rodrigo Grau 06120-ORC-T
57. Mineral Based Models

General
HSC-Sim has a special set-up and approach for processes where minerals are treated. In the
processes including crushing, grinding, flotation, gravity separation or screening this approach
should be used. In mineral-based models particle s are the treated which have at least the
following properties:
• size (diameter)
• mineral composition as wt.%
In addition, they may have additional parameters like mineral volume%, mineral area% (on
surface of a particle), whiteness and hardness. Globally, minerals have a certain chemical
composition and specific gravity and therefore HSC calculates these properties for each
particle and also for each stream.
Particles can be generated through mineralogical information. There are two levels of
information required (Figure 1):
Global set-up: Mineral Ccp Py Sp Gan

Minerals with: S.G. 4.35 5.013 4.096 2.65
•Chemical composition Cu % 34.63 0.00 0.00 0.00
•SG (specific gravity) Fe % 30.43 46.55 2.12 10.12
•other global properties S% 43.95 53.45 32.86 0.00
which will not change in a …. ….. …. …. ….
process
Set-up for each input stream:

Particles with known:
•mineral composition etc …
•size
Liberated Ccp Binary Ccp-Gan Complex particle
Particles’
•SG,
•chemical composition
•etc…
can be and is calculated by the HSC Sim
Figure 1. Global and set-up for each input stream.
1. Global
Global mineralogical information does not change from stream to another. Global information
consists of:
HSC MANUAL 6.0 55 - 2(13)
August 10, 2006
• A list of minerals and their properties including:

• Name
• Chemical formula
• Specific gravity
• Chemical composition
• Number of behavioral types and their names (e.g. n=2, fast
floating, slow floating)
• Size class information including
• Number of size classes
• Lower and upper boundary of each class and average
• Name of the size class
2. Each input stream
Each input stream defines the mineralogical composition of the stream by size and possibly by
behavioral types. An input stream data consists of:
a) Mineral data
• Total input of the stream (t/h)
• Weight percentage of each size class (summing to 100%)
• Weight percentage of each mineral in each size class (summing to
100%) and in the bulk (calculated)
• Distribution of minerals between behavioral types
• Chemical composition of fractions and the bulk (calculated)
b) Particle data (optional but if missing is generated)
• In the model particles are used, i.e. if this data is missing, then particles
are generated according to (a) and (b) or (a) and (c). If given (e.g. from
the liberation analysis) the weight percentage of a mineral is corrected
according to data given in (a), i.e. the mineral weight percentages are
taken from the data (a) whereas mineral association and mode of
occurence of data is taken from (d). This is important since liberation
analysis is often biased in terms of modal composition. Also, it enables to
give more information on trace minerals, e.g. gold, than the simple
liberation analysis would provide.
In units particles (Figure 2):

1. Can break down (crusher, mill),
2. Can distribute between the output stream either perfectly or with certain ratios
(probabilities) which can be dependent on:
a. Size
β. ± specific gravity
χ. ± mineral composition
3. Can travel through the unit unchanged but mixed with other streams.
HSC MANUAL 6.0 55 - 3(13)
August 10, 2006
In a unit particles
1. Can break down feed

mill discharge
• (crushing, grinding)
2. Can be separated (perfectly or with
probabilities) between products feed
oversize
according to their scre
• size (screening) , e n
undersize
• ± specific gravity (Knelson concentrator,

hydrocyclones),
0.5 tph
• ± mineral composition
(flotation) flotation
feed tail
• shape etc…
0.03 tph
3. Can be mixed with 0.51 tph
0.11 tph
conc
other streams (pump sump)

0.06 tph 0.48 tph
Figure 2. Behavior of particles in a unit.
Setting-up the mineral-based models
To set-up a circuit based on particles, consisting of minerals with a certain chemical

composition:
1. Draw the process with all units and streams (Figure 3)
2. Select Data – Mineral Setup… from the menu (Figure 4)
3. In the Mineral Setup window follow the Step-by-Step setup to define (Figure 5, see a
more detailed description of step 3 operations on following pages):
1. Minerals
2. Size classes
3. Streams
4. Variables
after these stages
5. Save and
6. Close
4. Do the appropriate set-up for each unit (using Excel wizards)
HSC MANUAL 6.0 55 - 4(13)
August 10, 2006
Figure 3. Draw the process.
Figure 4. Select Data – Mineral Setup…
In the mineral set-up window you can edit the mineral setup either using step-by-step
approach (select Step by Step option) or edit the properties independently (select Editor
option; Figure 5). The mineral setup has been designed so that the first time the setup is to be
done step-by-step whereas minor changes can be done in the editor mode.
HSC MANUAL 6.0 55 - 5(13)
August 10, 2006
Figure 5. Mineral Setup window.
The step-by-step approach is described first (Figure 5).

1. The first step is to define the minerals. To do that Press button “1. Mine rals…” If
the button is not visible, select the Step-by-Step option. The HSC-Sim Wizard
Selection window will appear and certain built-in mineral definition will be available,
e.g. “Cu ore (porphyry)” and “Au ore” (Figure 6). Here HSC-Sim reads the Excel
file MineralogyWizard at \Sim\Wizards\System –folder. Each selection has its own
sheet. To edit, add or remove selection, open the file with Excel and make the
appropriate changes. When adding a sheet it may be easier to copy the content from
the existing one and then edit this because the structure has to similar to existing
sheets (e.g. the mineral number on row 6, C is the first column etc.).
2. Complete the Global Mineral set-up by adding them, removing species (columns),
editing their chemical composition, their specific gravity and number of behavioral
types (Figure 8). In this context, behavioral types mean that if you want to specify a
HSC MANUAL 6.0 55 - 6(13)
August 10, 2006
fixed ratio for example fast-floating, non-floating and non-floating fractions. The
number of behavioral types can be between 0 and 3. Zero means that there will be
one anyway, but the set-up is slightly different if you specify one. The number of
behavioral types should be same for all the minerals although it is individually
requested.
Figure 6. Select appropriate mineralogy.
Figure 7. Files for mineralogy (MineralogyWizard.xls) and size class (SizeClassWizard.xls) setup are
located at Sim\Wizards\System folder.
HSC MANUAL 6.0 55 - 7(13)
August 10, 2006
Figure 8. Step-by-Step mineral set-up. the first step “1. Minerals” completed
3. To define size classes, press the “2. Size classe s…” button. The wizard window
becomes visible. Make the selection most suitable for you. The size class wizard is
an Excel file, SizeClassWizard.xls, located at \HS6\Sim\Wizards\System –folder.
Each selection is a sheet. You may edit the content of each worksheet, delete sheets
or add them using Microsoft Excel. Close the file in Microsoft Excel before running
the wizard, because Excel reserves the file totally for its own purposes.
4. Edit the size fractions in the Global Size Set-up sheet (Figure 10). Change the unit,
upper and lower value, average size and label. You may also delete or add fractions.
5. The next step is to define the mineral composition of the input streams. Press the
button “3. Stre ams…”. Fill-in the data of the input stream(s) (Figure 11). Give the
total input, wt% of size fraction, mineral composition of each size fraction and
fraction of each behavioral type if applicable. To calculate the chemical composition
of each fraction and the bulk select Tools- Calculate Chemical Composition.
6. The next step is to set the variables to each unit. Do that by pressing “4. Variable s”
(Figure 12). The operation will take a while. It will create particles (if not defined),
and set-up each unit.
7. To save the information press “5. Save” and to complete the set-up press “6.
Ready”.
HSC MANUAL 6.0 55 - 8(13)
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Figure 9. Wizard for defining size classes.
Figure 10. Global Size set-up sheet (Size –tab).

HSC MANUAL 6.0 55 - 9(13)
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Figure 11. Fill-in the data of the input stream(s). Give total input, wt% of size fraction, mineral
composition of each size fraction and fraction of each behavioral type if applicable. To
calculate the chemical composition of each fraction and the bulk select Tools- Calculate
Chemical Composition.
HSC MANUAL 6.0 55 - 10(13)
August 10, 2006
Figure 12. Step 4, press 4. Variables… button.

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Coding in the column A of the units
In the model, the data is specified in the first column (column A). The syntax of the code is:
Particles are referred as

M.P.1 = particle number one (t/h)
The following items are calculated from the particle amount information (M.P.1 – M.P.n)
each time the model is run. They are properties of each stream.
The codes are:
M. M. Size. Mineral. Type. Item
Options
M=mineral M=mineral 1,2,3... = Integer 1,2,3... = Integer 1,2,3... = a=amount
E=element giving the giving the number of Integer t=t/h
L=liquid number of the the mineral (M) or giving the w=wt.%
S=slurry size class element (E) class number of f=fraction (w/w)
P=Particle 0 = all minerals 0 = all minerals (i.e. the type r=recovery
(i.e. bulk) bulk) 0 = all types s=SG
(i.e. bulk) v=volume
For Particle is the Number of particle in
input stream input stream
index
Examples
M. M. 0. 0. 0. a
M.M.0.0.0.a
Total solids mass flow of the stream
M. M. 1. 0. 0. w
M.M.1.0.0.w
Weight percentage of the first size class in a stream
M. M. 0. 2. 0. w
M.M.0.2.0.wt
Weight percentage of mineral 2 in a stream
M. E. 1. 1. -. w
M.E.1.1.-.wt
Weight percentage of element 1 in a stream
M. E. 0. 3. -. r
M.E.0.3.-.r
Recovery of element 3 in the stream (against total input)
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Functions available in Excel models for mineral based models

Preparation of the variable list with the Mineralogical Set Up window will bring the
number of variables into the units. Functions can be entered also by the user and will
not function in Excel.
Stream functions
Function Stre amX
Syntax StreamX(StremName;ParticlesRange;Variable)
Examples StreamX(E$6;$E$56:$E$97;$B8)
StreamX(“ROM”;$E$56:$E$97;”SiO2”)
Explanation Returns the value of the variable, e.g. SiO2 content of the
stream calculated according to particles. Note that particle
data can be corrected to be in harmony with chemical and
mineral composition of the bulk feed (see xx).
Function Re cove ryX

Syntax RecoveryX(Variable;StreamName;FeedName)
Examples RecoveryX($B21;E$6;0)
RecoveryX(“Fe”;”Zn Conc”;”ROM”)
Explanation Returns the recovery of variable in the stream vs. the feed
(or another stream).
The RecoveryX add-in function cannot be used in the
Target cell, because it is recalculated only after all
calculation Rounds have been finished.
Particle functions
Function Particle Re cX
Syntax ParticleRecX(ParticleID;ModelReference;TableOfVariables
)
Examples ParticleRecX(A56;1;Model!B22:F34)
Explanation Returns the recovery value of mineral according to
TableOfVariables. Model reference: 1= wt average based
on minerals, 0= returns the value according to particle size.
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Fraction functions
Function
FractionX
Syntax FractionX(FractionNumber;FractionVariable)
Examples =FractionX(A2;B2)
=FractionX(1;”Label”)
Explanation Returns the value of the variable (Label, Lower, Upper,
Average Size) of the Fraction in question
(FractionNumber).
Mineral functions
Function Mine ralX
Syntax MineralX(MineralNumber;Variable)
Examples =MineralX(A2;B2)
=MineralX(1;”Cu”)
Explanation Returns the value of the variable (chemical elements, S.G.,
Code, Mineral) of the mineral in question (FractionNumber).
GEO MANUAL 55 - 1(17)
Partly Demo Version
Pertti Lamberg, Iikka Ylander, Markus Kyläkoski August 29, 2005 06120-ORC-T
70. HSC Geo

HSC Geo is a program to make mineralogical and petrological calculations and store
the results in a database for further analysis with HSC Data.
HSC Geo:
• Prepares a database from the tabulated data
• Performs petrological calculations for rock samples
• Calculates the mineral composition of samples (modal composition) from the
chemical analysis
• Calculates the formula of minerals from the mineral analyses
• Includes a mineral database with stoichiometric compositions and extensive data
from literature
General procedure
The general procedure of HSC Geo is as follows:
1) Prepare the data e.g. in Excel and save using Excel file format.
2) Open the files in HscGeo
3) Run the identification routine
4) Customize the calculation routines, if required
5) Do the calculations
6) Check and recalculate, if necessary
7) Save the result in the database
8) Launch HSC Data to study the result graphically and statistically
Preparing the data
To ease and quicken the data processing in HSC Geo prepare your data to satisfy the
following requirements:
• Data should be row-wise; one observation or measurement per line, i.e. each
sample has its own row.
• Place each data type in its own file or own sheet. E.g. one sheet/file has the
header information of samples, one sheet includes XRF analyses, another REE
analyses and one PGE assays
• Place the header in the first row and ID-column in the first column
• In the header row or rows you should specify the element in analysis, the
analysis method and the unit, e.g. SiO2/XRF/%. For this the following options
exist:
• Place element, method and unit as individual rows:
• Place the element in the first row and name this row
ELEMENT
• Place the method in the second (or third) row and name it
METHOD
• Place the unit as its own row and name it UNIT. HSC Geo
understands the following units: wt.%, %, ppm, g/t, ppb
• Place element, method and unit in the first row and separate them with
Partly Demo Version
a space or / (e.g. Cr XRF ppm, Cr/XRF/ppm)
• Name the file or sheet according to the method and then you won’t
have to repeat it. For example on the sheet called XRF the header
gives the element and method, e.g. Cr ppm.
• The decimal separator should be a point (e.g. 21.34)
• Save data as an Excel file (version 5) or as a tab-separated text file
Tutorial Data in Excel File with Multiple Sheets – Step by step
This tutorial guides you through the HscGeo steps where you open the dataset, perform the
calculations and save the result in the database.
1. Run the HscGeo (Start – All Programs – HSC Chemistry 6.0 – Geo)
2. Select Open from the left button list (or from the HscGeo menu File – Open data)
Partly Demo Version
3. Select from the data folder (...\Geo\data) example file Bruvann.xls
4. HscGeo opens the Excel file and places each sheet as its own source window. A
total of seven sources are visible:
• Bruvann / Header (header data, location data)
• Bruvann / LOI (loss of ignition analyses)
• Bruvann / LECO (Leco analyses)
• Bruvann / BM (bromine-methanol analyses)
• Bruvann / XRF (X-ray fluorescence analyses)
• Bruvann / PGE (PGE analyses)
• Bruvann / REE (REE analyses)
In each source (Excel sheet) the data is row-wise, the first row includes the header,
and the sample ID is placed in each file in the first column. For the chemical elements
both the element name and unit are given in the first row separated by a space, e.g.
Al2O3 %. Each source (i.e. Excel sheet) has been named according to the assay
method. Please follow this procedure with your own data. Do not leave empty columns
or rows.
Partly Demo Version
5. The structure of the sources has to be identified before the calculations. To do this,
press the “IDENTIFY STRUCTURE” button. If you want to exclude some of the
sources uncheck them before pressing the IDENTIFY button.
Partly Demo Version
6. HSC Geo identifies the structure of each source and to indicate the result each
source includes he ade r rows (blue text on gray background), as follows:
• -Hdr- HEADER: is the original header of the data
• -Ele- ELEMENT: is the name of the chemical element if HscGeo has
identified the column as a chemical element
• -Met- METHOD: indicates the method of the analysis (e.g. XRF)
• -Uni- UNIT: unit of the assay (e.g. ppm)
• -Tab- TABLE: name of the table where the data will be stored, for analysis
ANALYSIS is default
• -Fld- FIELD: name of the field in the table, e.g. SiO2/XRF/% in the table
ANALYSIS
• -Typ- TYPE: field type, e.g. SINGLE
• -Len- LENGTH: length of the character field
• -Dig- DIGITS: number of digits in the numeric fields
• -Idx- INDEXED: Yes if field is indexed. Key and ID fields are indexed
• -Mul- MULTIPLIER: The multiplier if the data has been multiplied to reach a
uniform structure, e.g. Fe-> FeO
• -Idf- IDENTIFIED: X and name of the chemical element and the total number
of the element in the source, e.g. X(Si)1/2 indicates that the field is silica and
there are also silica analyses with possible different analysis methods in the
same file
Partly Demo Version
7. Check the identification. If the “Unidentified to” option was checked, then all the
columns that were not identified were marked to be stored in the “USERX” table.
The name of the user-table can be changed. If there are errors press “Back” button,
correct the contents manually, or make the corrections in the original Excel file and
start from the beginning.
• To check the sources for calculations press Options on the left button list
Partly Demo Version
• HscGeo shows a periodic table where the color indicates the number of
different assay methods found for an element. If there are several analyses
for an element, e.g. for copper, HscGeo will – by default – scan them in
alphabetical order. If an assay is found for the sample in question then
searching is ended for that sample and the value found is used in the
calculations. To exclude some assay press Delete. To add some assay which
was not identified press Add. To change the preferential order of the
sources, press Edit...
Partly Demo Version
• To edit the window opening, arrange the assays in preferential order with the
Up and Down buttons.
• The calculation options can be edited by selecting the “Calculation Routines”

tab and by selecting the appropriate method. For more details on calculation
routines and how to modify them see the following chapters.
Partly Demo Version
8. When the identification is ready, you can progress to calculations. Check the
calculations you want to do for the samples by checking and unchecking the
calculations in the list box. The calculations listed below are done by default. When
ready press “CALCULATE”
9. The progress bar shows the progress of the calculations. Check the number of errors
10. If there were errors you can see them in the Log- window. In the tutorial Bruvann
file, one sample will give a negative Fe in the BNORM calculation.
11. Calculation results are calculated in the “Calculation Result” window, which is similar
in structure to the input files. The result of each of the calculation routines is shown
on its own page.
Partly Demo Version
12. To store the results in the database first define the database by pressing the “Define
Database >>>” button
13. In the “Destination Database” window press “New” and give a name to the
database (e.g. BruvannData) and press Save. The database has now been created
Partly Demo Version
so press “OK” in the “Destination Database” window to accept the database.
14. Uncheck the sources that you do not want to write in the database. However, it is
recommended to write all the source data in the database. It is easier to delete it later
or leave it unused than to try to merge it later. When ready press “Save” . The name
of the database is given below the “Save!” button in blue.
Partly Demo Version
15. The progress bar at the bottom of the window shows the progress of the saving.
Check the number of errors.
16. If there are errors, check them in the Log window after the calculation has been
completed.
17. Now the data has been saved in the Microsoft Access database and you are ready to
start to study it in HscAux. Press the “Open HSC Data and Exit” button. The
created database will be opened in the HSC Data and the HscGeo will be closed.
Partly Demo Version
Calculation routines
With HSC Geo, it is possible to calculate certain frequently used routines in the same way
although the input format may change from one data source to another. HSC Geo includes a
number of petrological calculation routines but since the actual calculations are carried out in
Microsoft Excel, it is quite easy for the users to make their own routines as well.
General structure
In HSC Geo, the calculation routines are actually Microsoft Excel files. Files must be located
in the folders under C:\HSC6\Geo\C-Groups. In the example below there are two different
sets of calculations: “ROCK” and “MINERAL”.
Under the ROCK folder (i.e. C:\HSC6\Geo\C-Groups\ROCK) there are Excel files, all of
which have their own individual calculation routines.
Partly Demo Version
The calculation file consists of five worksheets.

1. The first worksheet (Info) is for information.
2. The second worksheet (Setup) gives the ordinal number of the routine and defines
which routines should be done before the calculation in question is run.
3. The third worksheet is the Input –sheet, i.e. data from HSC Geo to Excel.
4. The fourth worksheet (Calc) is reserved for calculations done in the Excel.
5. The fifth worksheet (Output) is for output data, i.e. data from Excel to HSC Geo.
In the Setup worksheet the ordinal number is given in cell B1. If the number is missing HSC
Geo adds the routine last in the list. The routines which should be run before the routine in
question are listed in the D column from D1 downwards.
Partly Demo Version
The Input sheet lists the input values required for the calculations. Column A is for the
system name. If the input is a chemical analysis then HSC Geo inputs the assay according to
the element’s number in the periodic table, i.e. if the input value is for example carbon, then
its number is 6 and it will be brought to one row below, i.e. row 7 (the row 1 is for headers;
see figure below). The assay will always be transformed to ELEMENT WEIGHT
PERCENTAGES. For example, if the assay is 1000 ppm CO2, then HSC Geo will change it
to 0.0273 % C and send the value 0.0273 to cell C7.
If the input value is not a chemical assay, then the full name of the value in question has to be
written. For example the CUMNAME routine uses among others the CIPW normative
olivine as an input value. Then value “CIPW.Olivine CIPW %” stands for the input value in
cell A2 (see below).
Partly Demo Version
The calc. sheet is an independent calculation sheet not affected by HSC Geo.
The Output sheet has field names in the first column starting from row 2. If the user wishes
to change the name it is better to type the desired name in the B-column. If text appears in
the B-column, that name will be used. Column C is the output value. In most of the built-in
routines column C refers to the calculation page. Column D gives the data type for the
database.
HSC Geo actions in calculation

The calculations in HSC Geo will take place as follows:
1. After the input format has been identified and the user presses the Calculate button,
HSC Geo will make a list of the calculation routines according to user selections, the
ordinal number on the Setup pages and other required calculation routines on the
Setup page.
Partly Demo Version
2. Before each sample HSC Geo will empty column C on the Input sheet.
3. HSC Geo inputs the data in the Input page. For chemical elements the format is
ELEMENT WEIGHT PERCENTAGES.
4. HSC Geo calls Recalculate routine.
5. HSC Geo reads the calculation results on the Output page and writes the values in
the “Calculation Results” window on the page named according to the routine.
6. HSC Geo performs steps 2-5 for the next sample.
Routines included
HSC Geo includes the following petrological and mineralogical calculation routines:
• ARRANGE – Arrange routine
• CATION – Cation proportions
• VF – Volatile free composition
• SF – Composition of the sulfide fraction
• VSF – Volatile and sulfide free composition
• CIPW – CIPW normative mineral composition
• REE_N – Normalization for rare earth elements
• CUMNAME – Normative cumulus name for ultramafic-mafic igneous rocks
• TRC – Calculate the normative trace element content in igneous minerals of
ultramafic–mafic rocks.
SF – Sulfide fraction
Normative minerals of the SF, i.e. sulfide fraction are: pyrrhotite (FeS), pyrite (FeS2),
pentlandite (Ni4.76Fe 4.24S8), chalcopyrite (CuFeS2), Co-pentlandite (Co9S8), arsenopyrite
(FeAsS), sphalerite (ZnS), molybdenite (MoS2) and galena (PbS). In calculation, all of the
sulfidic base metals are allotted in a single phase as follows: lead in galena, molybdenum in
molybdenite, zinc in sphalerite, arsenic in arsenopyrite, cobalt in Co-pentlandite, copper in
chalcopyrite and nickel in pentlandite. The remaining sulfur and iron are balanced between
pyrrhotite and pyrite. Equations and chemical composition of normative sulfide minerals are
given in the table below.
When the weight percentages of normative sulfides have been calculated, trace elements
bound in sulfides: i.e. Os, Ir, Ru, Rh, Pt, Pd, Au, Re, Ag, Cd, Sn, Sb, Bi, Se, Te and Hg, if
analyzed, are added to the sulfides. Recalculation to 100% gives the mineral composition and
trace element content of the sulfide fraction. The chemical composition of the sulfide fraction
is calculated from mineral abundances as given in the table below (step 8).
If only bulk assays are available, the chemical composition of a sulfide fraction is calculated
by setting the pyrite to zero and by following the guidelines given in the table below. Since
nickel and cobalt are also bound in non-sulfides, the calculation gives either too high a
pentlandite and cobalt pentlandite and consequently Ni and Co content of the sulfide fraction,
or residual sulfur ends up negative. In the latter case all normative sulfides are set to zero and
S is allotted to pyrrhotite.
Though the sulfides of a sample may also contain other sulfides than those listed in the table
below, such as cubanite, gersdorffite, various pyrrhotites (troilite, monoclinic and hexagonal),
the result of the chemical composition of the sulfide fraction is more accurate and reliable
than if a fixed sulfur content were used. If the sulfide fraction is calculated from total
analyses, then samples containing less than 2% sulfides must be treated with caution for the
above-mentioned reasons.
Partly Demo Version
Calculation of the sulfide fraction and normative sulfide minerals.

(1) Weight percentages of chalcopyrite, pentlandite, cobalt pentlandite, sphalerite, galena, molybdenite and arsenopyrite are calculated as
given below in the Equation column. Content of elements in equations are weight percentages in the sample.
(2) Residual sulfur content is calculated. If it is negative, then all sulfides except pyrrhotite are set to zero, and pyrrhotite is calculated
according to step 4.
(3) If Fe analysis is carried out by the bromine-methanol method, then the amounts of pyrite and pyrrhotite are solved as follows: writing
in matrix format the mass balance: ⎡36.48 53.45 ⎤ ⎡ Po⎤ ⎡ S ⎤ , where S and Fe are residual sulfur and iron contents after
⎢63.52 0.07 × 46.55⎥ • ⎢ Py ⎥ = ⎢ Fe⎥
⎣ ⎦ ⎣ ⎦ ⎣ ⎦
removing S and Fe bond in previously calculated sulfides. P o and Py are solved by the non-negative least square method.
(4) If Fe bromine-methanol analysis is not available, or the only Fe sulfide is pyrrhotite, then pyrite is set to zero and the pyrrhotite is
calculated according to the equation: P o=100*S/36.48.
(5) T race elements in sulfides: Os, Ir, Ru, Rh P t, P d, Au, Re, Ag, Cd, Sn, Sb, Bi, Se, T e and Hg are added to the previously calculated
sulfides.
(6) Sum of minerals and trace elements is the norm ative sulfide content (the word normative may be left out)
(7) Minerals and trace elements are recalculated to 100%
(8) Normalization gives the trace element content in the sulfide fraction directly. T he Cu, Ni, Co, Zn, Pb, Mo, and As content of the
sulfide fraction is back calculated from the normative minerals. E.g. T he Ni tenor: Ni_SF%=P n_SF%*36.16/100. T he iron and sulfur
contents are calculated by totaling the sulfur and iron content bound in each normative mineral.
Mineral Symbol Formula used Element wt.% Fe wt.% S wt.% Equation
Chalcopyrite Ccp CuFeS2 Cu= 34.63 30.43 34.94 Ccp=100*Cu/34.63
Pentlandite Pn Ni4.76 Fe4.24 S8 Ni= 36.16 30.64 33.20 Pn=100*Ni/36.16
Cobalt pentlandite Cpn Co 9 S8 Co= 67.40 0.00 52.94 Cpn=100*Co/67.40
Sphalerite Sp ZnS Zn= 67.10 0.00 32.90 Sp=100*Zn/67.10
Galena Ga P bS P b= 86.60 0.00 13.40 Ga=100*ga/86.60
Molybdenite Mb MoS2 Mo= 59.94 0.00 40.06 Mb=100*Mo/59.94
Arsenopyrite Apy FeAsS As= 46.01 34.30 19.69 Apy=100*As/46.01
Pyrrhotite Po FeS 63.52 36.48 (3) or (4)
Pyrite Py FeS2 46.55 53.45 (3) or (4)
VF and VSF
The calculation of volatile-free (anhydrous) composition is a common practice in petrological

studies of mafic-ultramafic rocks and is a simple recalculation of selected elements to 100%.
The main problem is the distribution of total iron between sulfides and the divalent and
trivalent states in the rock, forming silicates and oxides. Iron incorporated in sulfides can be
solved as described above in the SF routine. The proportion of ferric iron in mafic and
ultramafic cumulates is normally low. This only has to be taken into account when chromite,
magnetite or ilmenite are present as a cumulus mineral. In this study all non-sulfidic iron was
calculated as total FeO in both volatile and volatile- and sulfide-free calculations.
Volatile- and sulfide-free composition (VSF) is an anhydrous chemical composition of the

rock where the sulfides have been removed. When the composition of the sulfide fraction has
been calculated and the portion of base metals in the sulfides is known, the calculation of
volatile- and sulfide-free composition is a simple recalculation of selected elements to 100%.
If the composition of the sulfide fraction was determined from the bromine-methanol leach,
the recalculation is reliable even for samples rich in sulfides.
The volatile- and sulfide-free composition (VSF) is very useful for Ni-Cu sulfide-bearing
samples: it can be applied to compare the host rocks of sulfide-rich samples with ordinary
cumulates and country rocks.
Partly Demo Version
TRC
By mass balance, the concentration of an element E in a multi-phase mineral assemblage can

be expressed as the sum of the products of the molar proportions X (as mass fractions of 1)
times the concentrations W, of the element E, in a mineral phase Ma (Bedard 1994). The
weight fraction of element E in a sample is
n
WE ,T = ∑ WE , Ma * X Ma ,
a =1
where WE,Ma is the weight fraction of element E in mineral Ma and XMa is the weight
fraction of mineral Ma in a sample. When the bulk composition (WE,T) and weight fractions
of minerals (XMa ) are known, one can estimate the weight fraction of the element in mineral
WE,Ma by
applying the elemental partition coefficients between the minerals.
CUMNAME
To give the proper cumulus name for an igneous rock is often time-consuming. Thin and
polished sections of representative samples have to be studied. However, it has been found
that B-normative compositions are in good harmony with the actual primary igneous
mineralogy. Consequently, a cumulus naming procedure has been developed on the basis of
the CIPW norm.
A comparison of the CIPW norm with the cumulus name defined by microscopy names
made it possible to determine the threshold abundances above which minerals belong to a
cumulus phase. For normative orthopyroxene, clinopyroxene, and plagioclase it was found to
be roughly 25% and for normative olivine 10% (see table below). The sum of the normative
cumulus minerals identified in this way is higher than 50% in cumulates, but less than 50% in
non-cumulate rocks such as volcanites.
Automated cumulus naming procedure

A cumulus name consists of four parts; the naming rules in each part are as follows:
1 Cumulus minerals 2 Cumulus type 3 Cumulus/rock index 4 Intercumulus minerals
Listed in the order of abundance If the rock is a cumulate, one of T o distinguish if a Listed in the order of abundance
using the following abbreviations. the following symbols is used to rock is cumulate or using the following abbreviations.
T he normative abundance must be describe the amount of cumulus non-cumulate: T he normative abundance must be
above the given boundary. minerals. C=cumulate (cumulus between the given boundaries.
o=olivine (>10%) A=adcumulate (cumulus minerals >50%) b=orthopyroxene (10-25%)
b=orthopyroxene (>25%) minerals>93%) R=non-cumulate a=clinopyroxene (10-25%)
a=clinopyroxene (>25%) M=mesocumulate (cumulus rock (cumulus p=plagioclase (10-25%)
p=plagioclase (>25%) minerals 75-93%) minerals <50%)
m=magnetite (>10%) O=orthocumulate (cumulus
c=chromite (>0.6%) minerals 50-75%)
t=apatite(>1%)
$=sulfides (>0.3%)
e.g. oMCa=olivine mesocumulate with clinopyroxene as intercumulus mineral; bRpa=non-cumulate rock where the main phase is
orthopyroxene and the other significant phases are, in the order of abundance, plagioclase and clinopyroxene
MANUAL 55 - 1(2)
August 10, 2006
Pertti Lamberg and Markus Kyläkoski 06120-ORC-T
79. HSC Geo – Files

HSC Geo uses following files:
File Location (HSC6) De scription
HscGeo.exe (root) Executable program
HscGeo.ini …\Geo\ini\ Initialization file
DefSynonLib.txt …\Geo\ini\ Default synonym library. Tab separated text file. Can be
opened with e.g. Microsoft Excel
HSCGeo.mdb ..\Geo\System\ Mineral, sample and analysis database
MINFORMULA.xl ...\Geo\C-Groups\MINE MINERAL FORMULA calculation routine file
s RAL\
ANION.xls ...\Geo\C-Groups\ROCK ANION calculation routine file
\
ARRANGE.xls ...\Geo\C-Groups\ROCK ARRANGE calculation routine file
\
ATOMIC.xls ...\Geo\C-Groups\ROCK ATOMIC calculation routine file
\
CATION.xls ...\Geo\C-Groups\ROCK CATION calculation routine file
\
CIPW.xls ...\Geo\C-Groups\ROCK CIPW calculation routine file
\
CUMNAME.xls ...\Geo\C-Groups\ROCK CUMNAME calculation routine file
\
ELEMENT.xls ...\Geo\C-Groups\ROCK ELEMENT calculation routine file
\
OXIDE.xls ...\Geo\C-Groups\ROCK OXIDE calculation routine file
\
REE_N.xls ...\Geo\C-Groups\ROCK REE_N calculation routine file
\
SF.xls ...\Geo\C-Groups\ROCK SF calculation routine file
\
TRACE_N.xls ...\Geo\C-Groups\ROCK TRACE_N calculation routine file
\
TRC.xls ...\Geo\C-Groups\ROCK TRC calculation routine file
\
VF.xls ...\Geo\C-Groups\ROCK VF calculation routine file
\
VSF.xls ...\Geo\C-Groups\ROCK VSF calculation routine file
\
Bruvann.xls ..\Geo\Data\ Example of input file, chemical analyses
MANUAL 55 - 2(2)
August 10, 2006
HscGeo.ini
HscGeo.ini is initialization file of the HscGeo.exe. It is ordinarily text file and can be
opened and edited with e.g. Notepad. In the following description is given in italic. In
the true ini file.
MANUAL 55 - 3(2)
August 10, 2006
[Databases]
HscGeo=Full path and name of the HscGeo database,e.g.
S:\YHT\HscGeo\Databases\HscGeo.mdb
Minerals=Full path and the name of the mineral database, e.g.
S:\YHT\HscGeo\Databases\HscGeo.mdb
[C-Groups]
Folder=Full path of the folder where C-Groups –folders are exising, e.g.
S:\YHT\HscGeo\Geo\C-Groups
Default=Default C-Group, e.g. ROCK
DefSynonLib.txt
DefSynonLib.txt is the default synonym library which is to tell to the program what
certain non-standard fields in the input files mean. DefSynonLib.txt contains 11
columns. The first column (Value) gives the value to be searched and the second
column (In) where it is searched for. The following columns give the substituting
strings in Header, Element, Method, Unit, Table, Field, Type, Digits and Multiplier
rows.
Below is an example of items. The second line, for example, defines that if AG(PPM)
is found on the ELEMENT row then on element row Ag is placed, TOT on the
Method row and ppm on the Unit row.
DefSynon.txt is tab separated text file which can be opened for editing for example
with Microsoft Excel.
Value In Header Element Method Unit Table Field Type Digits Multiplier
µg/g UNIT ppm
AG(PPM) ELEMENT Ag TOT ppm
AL(PPM) ELEMENT Al TOT ppm
AL2O3(WT%) ELEMENT Al2O3 TOT %
ALTERATION ELEMENT Header ALTERATION TEXT (250)
AR40_K40 ELEMENT OhterAssays AR40_K40 SINGLE
Area ELEMENT Header Area TEXT (50)
AS(PPM) ELEMENT As TOT ppm
AU(PPM) ELEMENT Au TOT ppm
Data Manual 55 - 1(23)
Partly De mo Ve rsion
Pertti Lamberg and Iikka Ylander August 29, 2006 06120-ORC-T
80. HSC Data

HSC Data is a data processing application of the HSC Chemistry program family. HSC Data
has been designed to process data in Microsoft Access (*.mdb) databases, but some other
database types can be opened and also Microsoft Excel files and TAB-separated ASCII files
can be opened with the program.
With HSC Data it is possible to:

• draw different kinds of graphics directly from the database:
• XY diagrams
• Ternary diagrams
• Spider diagrams
• Box and whisker diagrams
• Histograms
• do statistical analyses directly from the database:
• Basic statistics
• Correlation matrices
• Principal component analysis models (PCA)
• Population analyses
To run Data, press “Data” in the main navigation window of HSC Chemistry (Figure 1).
Figure 1. Running HSC Data from the main navigation window of HSC Chemistry.
The main window of HSC Data will appear. The different parts of the window are explained
in Figures 2 and 3.
Menu:
• Content of the menu changes
depending on active window
Database navigation pane:
• Shows recently opened
databases
• Double click to open the
database
• When database is opened the
content of the pane changes to
show tables and filters
Button list:
• Opening of different windows
and data processing tools; see
Figure 3
Info bar:
• Shows open
database, and open
windows
• Shows progress bar
when running
analysis or tasks
Figure 2. The main window of HSC Data.
Open database Clip data Show tables
XY diagram Picture book HSC Data about

Spider diagram Filters Toggle for Info bar
Descriptive statistics Calculator Exit
Box and whisker diagram Converter
Correlation matrix BDL options
Histogram SQL window
Statistical tests Macro
Population analysis
Linear modeling
Figure 3. Key for the button list.
Tutorial for e sse ntial prope rtie s and proce sse s of HSC Data
In this tutorial the Access database IntrusionData.mdb created in the HscGeo tutorial is used.
The database includes data from two intrusions: Bruvann and Ekojoki (see Lamberg 2005).
The tutorial covers:
• Creating filters
• Drawing XY diagrams (page 7) (classifying, using filters, labels)
• Data fitting, discrimination with lines and curves
• Polygons in XY, discrimination with polygons
• Creating and using picture books
• Viewing tables
Opening database
Open the HSC Data and select File – Open Database (Ctrl+O) in the menu. Browse the
IntrusionData.mdb database (should be in the data folder of HSC Data) and open it.
The open file is indicated on the caption line of HSC Data.
Creating filters
IntrusionData.mdb includes data from two intrusions and from several drill holes. It is useful
and essential to process only some part of the data. With filters it is possible to do that. To
create filters, open the Filter window by pressing the Data Filter button in the left button
panel.
In the IntrusionData.mdb file the name of the intrusion is stored in the USERX table in the
Target field. To create filters from each entry of a field, use AutoFilter. Select the Autofilter
tab in the Filter window, select USERX in the Select table combo box and Target in the
Select column combo box. For filter prefix use T by entering it in the Filter prefix: text box.
Press Make AutoFilte rs to create a filter from each entry in the USERX.Target field.
To make the filters, press Make AutoFilters. Two filters will be created. Do the same with
USERX.DDH (drill hole) with D prefix (24 filters).
Next a simple filter is created to exclude samples with less than 0.3% sulfides. This is
required to study Ni# and Co# because if calculated from the whole-rock analyses they are
reliable only in samples with >0.3% sulfides. Select the Simple filter tab in the Filter window.
Select SF from the Select table combo box and Sulfides% in the Select field combo box.
Select “>” for the operator and enter 0.3 in the value text box. The filter prefix is S and the
name is Sulph_GT_03. Space and extra characters like >, <, =, . are not allowed in the filter
name. Press Make Filter to create the filter.
To create a filter to exclude ore samples with Ni>0.5% and Cu>0.5%, select the Advanced
tab in the Filter window. First select Chalcophile for the table and Cu_ppm for the column
(i.e. field), select “<” for the operator and fill 5000 for the value. Press Add Clause button.
Then select Chalcophile for the table, Ni_ppm for the field and “<” for the operator and the
same 5000 for the value. Press Add Clause . Fill in the filter prefix (“NiCu”) and press Make
Filter.

XY diagram
To open the XY window in HSC Data press the second button from the top in the left button
bar.
To draw an XY diagram in the window, select a table and field for the X and Y axes, e.g.
VSF.MgO_VSF% for the X axis and VSF.Al2O3_VSF% for the Y axis. Press Draw. To
draw Ekojoki and Bruvann samples with a different plot mark (classes) select
USERX.Target for the classifier (see figure below). Press Draw (or Enter) to draw.
When moving the mouse on the figure, HSC Data shows the ID of the point under the
mouse. To see the data of some specific sample double click on the left mouse button when
HSC Data shows the ID of the sample you are interested in. HSC Data opens the data
browser in the right panel. To see the content of the same table all the time check the
“Always from this table” option. You can change the data content directly in the browser
and press Save to save the changed content in the database.
The List>>> button lists all the tables which include data from the sample in question
(according to the ID field SampleNo).
To draw the content of the filter only, e.g. samples from the drill hole TY-152, classified by
the most voluminous cumulus mineral (CUMNAME.C1) with the cumulus name used as
label follow the next figure. The labels are defined by checking the Draw Labels check box
and by defining the appropriate Table and Field (CUMNAME.Cumname).
The legend becomes visible by clicking the “leg” button in the top panel or by pressing Ctrl+L
(toggles between legend visible and hidden).
To zoom in, press Shift and press the mouse down in one corner and release it in another. To
reset the zoom, press the right mouse button in the Zoom and Pan box in the right top corner
of the window.
To Scale the Chart:
1. Press CTRL, and hold down both mouse buttons (or the middle button on a 3-button
mouse).
2. Move the mouse down to increase the chart size, or move the mouse up to decrease
the chart size.
To Move the Chart:
1. Press SHIFT, and hold down both mouse buttons (or the middle button on a 3-button
mouse).
2. Move the mouse to change the positioning of the chart inside the ChartArea.
To Graphics Zoom an Area of the Chart:
1. Press CTRL, and hold down the left mouse button.

2. Drag the mouse to select the zoom area and release the mouse button.
To Axis Zoom the Chart:
1. Press SHIFT, and hold down the left mouse button.

2. Drag the mouse to select the zoom area and release the mouse button.
To Reset to Automatic Scale and Position:
· Press the “r” key to remove all scaling, moving, and zooming effects; then the chart
regains control of PlotArea margins.
Data fitting and discriminating with lines
In the Al2O3_VSF% vs. MgO_VSF% diagram, Bruvann and Ekojoki have different
relationships. To have fitted lines for both series do the following:
Press the Alt or Alt Gr button down and click with the left mouse button the series you are
interested in. This will select the series and selection is indicated with larger plot mark sizes.
Press the Fit button in the top panel
In the Fit window select the appropriate equation type in the left panel and press Fit or press
Best Fit to find the best fit curve.
Press OK to copy the curve in the XY window and close the Fit window.
Do the same for the Ekojoki series as well.
To discriminate with lines:

• In the same Al2O3_VSF% vs. MgO_VSF% diagram the aim is to
classify the samples in two series.

• Draw the trendline by pressing the Create trendline button in the top
panel.
• Move the mouse to the starting point, click with the left mouse button,
release the button, move it to the end point and click again.
• Now you have the line according to which you wish to divide the data
into two classes
• To classify press the “Discriminate according to trendline” button.
• HSC Data redraws the figure without the classifier and then performs
the classification. Classes are named A (above) and B (below).
• To rename the classes press the Rename discriminate classes button.

Give new names A-> Mafic and B -> Ultramafic
• To store this information in the database press the Write discriminate

result in database button.
• Select the table (USERX) and for the field select the last option
<<Create New Column>> and give the name MafUmaf for the new
field. Press Write to database to store the result.
• Now this data can be used in classifying, filtering, labeling etc.

You can use polygons in the same manner as trendlines. To draw polygons first draw the
appropriate XY figure. To draw a polygon in the figure select the Create polygon icon.
Polygons and discriminating with them
In geology different groups are often divided and discriminated with fields drawn in an XY
diagram. HscGeo has special properties for this. In the IntusionData.mdb VSF.CaO_VSF%
vs. MgO_VSF% diagram, samples form different groups. To digitize the polygon in an XY
diagram:
1) Press the Create polygon button in the top panel.
2) Digitize the polygon nodes on screen.

3) Double click the last node and HscGeo will close the polygon.
4) To smooth the polygon select press Alt (or Alt Gr) and click with the left mouse button on
some of the polygon nodes to select the polygon. Nodes are shown as brown squares to
indicate the selection.
5) Press the right mouse button down and in the pop up menu select smooth to smooth the
polygon.
6) To use the polygon in discrimination press the “Discriminate according to polygons” button.
7) To rename the classes press “Rename discriminate classes” in the top panel.
8) Rename the classes (e.g. Gr1 and Gr2).

9) To store the result press the “Write discriminate result in database” button.
10) Select table (USERX) and <<Create New Column>> and give the name of the field
(CaOvsMgOClasses) and press the “Write in database” button.
11) Once the result has been saved, USERX.CaOvsMgOClasses can be used in
classification as shown in the figure below.
10
1
Cr2O3_VSF%
CaOvsMgOClasses
Gr1
Gr2
0.1
0.01
0 10 20 30 40 50
MgO_VSF%
Picture book
Picture book is a collection of figures, or in fact the items defining the X and Y axis
components of the picture, which can be used in redrawing the corresponding figure with
another database. To create PictureBook do the following:
1) Draw the figure in the XY diagram with X-diagrams, Y-diagrams, filters and classifiers
and press the “Add current figure to the PictureBook” button.
2) To see the PictureBook browser press the Show/Hide toggle.

3) Repeat step 1 for figures you want to store.
4) To save the PictureBook select File – Save in the PictureBook menu.

5) Give a name to the PictureBook and press Save.
To open the PictureBook and use the existing PictureBook:

1) Open the HSC Data program.
2) Open the data file (IntrusionData.mdb, see tutorial 1).
3) Press the “PictureBook” button in the left panel.
4) To open the PictureBook file select File – Open in the Picture Book menu.
5) Open the PLBook1.bok file.
6) To navigate between pictures use the up and down buttons.

Viewing tables
To view the data in tables:

1) Press the View Tables button in the left panel.
2) Select one or several tables from the list, e.g. USERX and VSF.
3) If required use a filter by checking the “Use filter” box and by selecting the appropriate
filter in the combo box below.
4) Press Load to see the table.

5) To hide some of the columns press the “Cols” button in the right panel.
6) Check the columns you wish to see. Finish by pressing OK.

7) To copy the data in the clipboard select from the menu: Edit – Select All and Edit – Copy.
8) To edit the data you have to change it to edit mode by pressing the Edit – View Toggle
(E-V) in the right button bar.
9) In edit mode the table is light yellow and the view mode is indicated by white.
10) To close the table select File – Close in the menu.

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HSC Chemistry® 6.

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HSC Chemistry® 6.0 User's Guide

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Traditionally, thermodynamic calculations based on experimental or assessed data have

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40. HSC-SIM USER'S GUIDE 40-1

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1. COPYRIGHT NOTICE AND WARRANTY

Outokumpu Research Oy makes no warrantie s, express or implied, in this User's Guide or

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3. ERRORS AND BUGS

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4. LICENSE AGREEMENT FOR END USER OF HSC CHEMISTRY®

Lice nse e : Company: ___________________________________________________

Lice nsor: Outokumpu Research Oy

Site Lice nse Se r.No.:__________________for ______ compute rs or te rminals.

4.1 The License

4.2 Use of HSC Chemistry Modules and Databases Separately

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4.5 Transfer of the License

4.6 HSC Upgrades

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4.10 Technical Support

4.11 Applicable Law and Arbitration

4.12 Millennium (Y2K) Compliance

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HSC Chemistry Serial Number _________________________________

Site License for ______ computers or terminals

Site / Department _______________________________________________

Signature _________________________________ Date _________

Please return to:

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or use the Internet: http://www.outokumpu.com/hsc/re giste r.htm

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6. WHAT'S NEW IN HSC CHEMISTRY 5.0

6.1 Updated Heat and Mass Balance Module

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6.2 New HSC AddIn Functions for Excel 2000

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6.3 New Drawing Toolbar

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6.4 New Diagram Options

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6.5 Larger Database with new Options

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6.6 Improved Equilibrium Module

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6.7 New Heat Loss Module

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Signature _________________________ Date _