BlendPro Manual 505

User Manual
BlendPro 5.0 User Manual
Table of contents
Table of contents
TABLE OF CONTENTS.......................................................................................................................................2
1.
INTRODUCTION .........................................................................................................................................6
1.1.
2.
DISCLAIMER ............................................................................................................................................7
ABOUT THIS MANUAL .............................................................................................................................8

2.1.
2.2.
DOCUMENT STRUCTURE ..........................................................................................................................8

DOCUMENT CONVENTIONS ......................................................................................................................8
3.
PROGRAM LIMITATIONS .......................................................................................................................9
4.
NEW FEATURES .......................................................................................................................................10
5.
GETTING STARTED ................................................................................................................................11

5.1.
5.2.
5.3.
6.
BLENDPRO STRUCTURE AND SCREENS ..........................................................................................13

6.1.
6.2.
7.
MAIN SCREEN ........................................................................................................................................13

DATABASE SCREENS ..............................................................................................................................14
IN SHORT: HOW TO...? ...........................................................................................................................16

7.1.
7.2.
7.3.
7.4.
7.5.
7.6.
7.7.
7.8.
7.9.
7.10.
7.11.
7.12.
8.
INSTALLATION.......................................................................................................................................11
START UP ..............................................................................................................................................12
LICENSE REQUEST .................................................................................................................................12
HOW TO... CUSTOMISE BLENDPRO TO MY OWN NEEDS? ........................................................................16

HOW TO... DO A PROPERTIES CALCULATION ?........................................................................................17
HOW TO... PERFORM A REFORMULATION? .............................................................................................18
HOW TO... REFORMULATE USING A CONSTRAINT ON VOC OR HAP CONTENT OF A FORMULATION?.....20
HOW TO... COMPARE THE RESULTS OF MORE THAN ONE CALCULATION ? ..............................................21
HOW TO... ADD SOLVENTS TO THE SOLVENT DATABASE?......................................................................24
HOW TO... REMOVE SOLVENTS FROM THE SOLVENT DATABASE ............................................................24
HOW TO... ADD A SOLVENTS PRICE SET? ..............................................................................................25
HOW TO... REMOVE A SOLVENTS PRICE SET? ........................................................................................25
HOW TO MODIFY THE USER NAME OR HAP/VOC CONTENT OF A SOLVENT?....................................25
HOW TO... ADD RESINS TO THE RESIN DATABASE ?...............................................................................26
HOW TO... REMOVE RESINS FROM THE RESIN DATABASE ......................................................................26
BLENDPRO MENU SECTION.................................................................................................................27

8.1.
FILE .......................................................................................................................................................27
8.2.
EDIT ......................................................................................................................................................30
8.3.
VIEW .....................................................................................................................................................30
8.4.
BLENDS .................................................................................................................................................30
8.5.
SOLVENTS .............................................................................................................................................31
8.6.
TOOLS ...................................................................................................................................................32
8.6.1.
Tools Database Solvents ....................................................................................................32
8.6.1.1.
8.6.1.2.
8.6.1.3.
8.6.1.4.
8.6.1.5.
8.6.2.
8.6.2.1.
8.6.2.2.
Solvent database Menu............................................................................................................................33

Properties.................................................................................................................................................35
The database table ...................................................................................................................................35
UNIFAC data ..........................................................................................................................................36
Modifying the database ...........................................................................................................................36
Tools Database Resins .......................................................................................................36

Resin Database Menu ..............................................................................................................................37
The database ............................................................................................................................................38
8.6.2.3.
8.6.3.
Modifying the database ...........................................................................................................................39
Tools Options ..........................................................................................................................39
8.6.3.1.
8.6.3.2.
8.7.
8.8.
9.
Table of contents
Input ........................................................................................................................................................40
Properties ........................................................................................................................................41
WINDOW ...............................................................................................................................................42
HELP .....................................................................................................................................................43
AVAILABLE SOLVENTS SECTION ......................................................................................................44

9.1.
9.2.
9.3.
9.4.
10.
10.1.
10.2.
10.3.
10.4.
10.5.
10.6.
10.7.
11.
ICONS ....................................................................................................................................................44
DATABASE ............................................................................................................................................44
SOLVENTS LIST ......................................................................................................................................45
SOLVENT SELECTION .............................................................................................................................45
CALCULATION INPUT SECTION IN PROPERTY CALCULATION MODE ............................46
SOLVENT FRACTIONS TABLE .................................................................................................................47
EVAPORATION CONDITIONS ..................................................................................................................47
FORMULATION PROPERTIES ...................................................................................................................48
WATER UPTAKE ....................................................................................................................................48
APPLICATION.........................................................................................................................................48
EXPOSURE MODEL .................................................................................................................................49
BLEND NAME, PRICE SET AND CALCULATE ...........................................................................................49
DESCRIPTION OF PROPERTIES AND CALCULATION MODELS ...........................................50
11.1. SOLUBILITY PARAMETERS AND THREE PARAMETER SYSTEMS ...............................................................50

11.1.1.
Hildebrand Solubility Parameter (HSP)......................................................................................50
11.1.2.
Fractional Polarity (FP)..............................................................................................................50
11.1.3.
Hydrogen Bonding Index (HBI)...................................................................................................51
11.2. VISCOSITY/AQUEOUS VISCOSITY...........................................................................................................51
11.3. DENSITY ................................................................................................................................................51
11.4. COST/VOLUME.......................................................................................................................................51
11.5. COST/WEIGHT........................................................................................................................................52
11.6. PHASE SEPARATION ...............................................................................................................................52
11.7. EVAPORATION TIME ..............................................................................................................................52
11.8. SINGLE STEP EVAPORATION TIME ..........................................................................................................52
11.9. FLASH POINT .........................................................................................................................................52
11.10.
EVAPORATION TEMPERATURE ...........................................................................................................53
11.11.
SPRAY EVAPORATION TEMPERATURE................................................................................................53
11.12.
SOLID CONTENT ................................................................................................................................53
11.13.
VAPOUR PRESSURE ...........................................................................................................................53
11.14.
BLEND VOC EU ...............................................................................................................................53
11.15.
BLEND VOC EPA.............................................................................................................................54
11.16.
BLEND MIR VALUE ..........................................................................................................................54
11.17.
BLEND HAP CONTENT ......................................................................................................................55
11.18.
FORMULATION VOC (EU) ................................................................................................................55
11.19.
FORMULATION VOC EPA ................................................................................................................55
11.20.
FORMULATION PWMIR VALUE OR OCP ..........................................................................................56
11.21.
FORMULATION RAVOC ...................................................................................................................56
11.22.
FORMULATION VOC EU (WEIGHT/WEIGHT SOLIDS) .........................................................................57
11.23.
FORMULATION VOC EPA (WEIGHT/WEIGHT SOLIDS).......................................................................57
11.24.
FORMULATION HAP CONTENT .........................................................................................................57
11.25.
FORMULATION HAP CONTENT (WEIGHT/WEIGHT SOLIDS) ................................................................58
11.26.
FAST ACTIVE SOLVENT CONTENT ......................................................................................................59
11.27.
SLOW ACTIVE SOLVENT CONTENT .....................................................................................................59
11.28.
AROMATICS CONTENT .......................................................................................................................59
11.29.
HYDROCARBONS CONTENT ...............................................................................................................59
11.30.
KETONES CONTENT ...........................................................................................................................59
11.31.
ESTERS CONTENT ..............................................................................................................................59
11.32.
11.33.
11.34.
11.35.
11.36.
11.37.
11.38.
12.
12.1.
12.2.
12.3.
12.4.
12.5.
13.
13.1.
13.2.
13.3.
13.4.
13.5.
13.6.
13.7.
13.8.
Table of contents
GLYCOL ETHERS AND ETHERS CONTENT ..........................................................................................59

ALCOHOLS /GLYCOLS CONTENT .......................................................................................................59
MISCELLANEOUS CONTENT ...............................................................................................................59
SPRAY EVAPORATION........................................................................................................................60
EXPOSURE MODEL.............................................................................................................................61
TEMPERATURE DEPENDENCY ............................................................................................................62
DEPENDENCY ON RELATIVE HUMIDITY .............................................................................................62
REFORMULATION MODE.................................................................................................................63
BLEND NAME, PRICE SET AND REFORMULATE ......................................................................................63
SOLVENT FRACTIONS ............................................................................................................................64
EVAPORATION CONDITIONS ..................................................................................................................64
FORMULATION PROPERTIES ...................................................................................................................64
REFORMULATION CONSTRAINTS TABLE ................................................................................................65
PROPERTIES OUTPUT SECTION.....................................................................................................66
DATA TABLE .........................................................................................................................................66
EVAPORATION GRAPH ...........................................................................................................................67
SOLVENT BALANCE GRAPH ...................................................................................................................67
SOLUBILITY MAPS .................................................................................................................................68
SOLIDS GRAPH .......................................................................................................................................69
WATER UPTAKE GRAPH .........................................................................................................................70
EXPOSURE MODEL GRAPH .....................................................................................................................71
IMPACT OF THE SPRAY MODEL ..............................................................................................................71
14.
REFERENCES........................................................................................................................................73
15.
INDEX .....................................................................................................................................................75
APPENDIX 1. Menu items ..................................................................................................................78

APPENDIX 2. Properties and Conversion Factors...........................................................................80
APPENDIX 3. Resins in BlendPro 5.0................................................................................................83
APPENDIX 4. UNIFAC groups ..........................................................................................................86
Figure 1. BlendPro 5.0 Main screen......................................................................................................13
Figure 2. Solvent database screen ..........................................................................................................14
Figure 3. Resin database screen .............................................................................................................15
Figure 4. Data table after having performed a multiple blend calculation. ............................................21
Figure 5. Evaporation plot in multiple-blend mode ..............................................................................22
Figure 6. Solubility plot in multiple-blend mode ...................................................................................22
Figure 7. Solids plot in multiple-blend mode.........................................................................................23
Figure 8. Water Uptake plot ...................................................................................................................23
Figure 9. BLENDRPO menu section .....................................................................................................27
Figure 10. File options............................................................................................................................27
Figure 11. Main print dialogue...............................................................................................................29
Figure 12. Standard Windows Print dialogue.........................................................................................29
Figure 13. Edit Options ..........................................................................................................................30
Figure 14. Blends options.......................................................................................................................31
Figure 15. Solvents Options ...................................................................................................................31
Figure 16. Tools options.........................................................................................................................32
Figure 17. Part of Solvent Database.......................................................................................................32
Figure 18. Part of Resin Database ..........................................................................................................37
Figure 19. BlendPro Options Input ........................................................................................................40
Figure 20. BlendPro Options Properties.................................................................................................42
Table of contents
Figure 21. Windows options ..................................................................................................................42

Figure 22. Available Solvents Section ...................................................................................................44
Figure 23. Changing properties .....................................................................................................................45
Figure 24. Calculation input section.......................................................................................................46
Figure 25. Solvent fraction table ............................................................................................................47
Figure 26. Evaporation Conditions ........................................................................................................47
Figure 27. Formulation Properties input ................................................................................................48
Figure 28. Water Uptake area.................................................................................................................48
Figure 29.Application area .....................................................................................................................48
Figure 30. Exposure Model ....................................................................................................................49
Figure 31. Calculate area........................................................................................................................49
Figure 32. Comparison between experimental and predicted compositional changes for a MEK/nBuAc
mixture (1:1), at a spray distance of 15 cm. ...................................................................................61
Figure 33. Calculate area in reformulation mode...................................................................................63
Figure 34. Reformulation input section .................................................................................................63
Figure 35. Solvent Fractions table in Reformulation mode....................................................................64
Figure 36. Reformulation Constraints table ...........................................................................................65
Figure 37. Data tab after a calculation....................................................................................................66
Figure 38. Evaporation graph.................................................................................................................67
Figure 39. Solvent Balance graph ..........................................................................................................68
Figure 40. Solubility Map ......................................................................................................................69
Figure 41. Solids graph ..........................................................................................................................70
Figure 42. Water Uptake graph ..............................................................................................................70
Figure 43. Exposure Model graph ..........................................................................................................71
Figure 44. Plot with spray model on ......................................................................................................72
Figure 45. Properties data table with spray model .................................................................................72
1. Introduction
1.
Introduction
Welcome to the User Manual of BlendPro 5.0.

BlendPro 5.0 is a software tool that is specially designed to meet the practical needs of solvents
users. It allows users to predict the key properties of existing and alternative solvent blends, such as
their solvent power and flash point. If an existing blend needs to be reformulated for e.g. technical,
logistic or legal reasons, BlendPro 5.0 can, per formulation generate alternative formulations and save
days of experimental effort.
The current version of this program, BlendPro 5.0, is the result of over 20 years development at Shell
Research. The previous version, BlendPro 4.0, has been used successfully by many licensees worldwide, particularly in the coatings and paint industry.
BlendPro 5.0 not only contains a multitude of new features, but is also completely different in the way
it looks compared to the previous version. Now BlendPro 5.0 is a Windows application, with almost all
functionality being provided in one main window. This main window provides the features that allows
you to define blends and specify evaporation conditions. Also, the results of the calculations are
displayed in this window as tables and graphs, providing a clear overview of the characteristics of the
solvent blends. Additional features include calculation of evaporation characteristics during spray
application and resin solvency using solubility maps. The multiple-blend option provides an easy-touse feature that compares blends and their properties. Predefined reports have been built in to print
the output data in tabular as well as graphical format.
The database of BlendPro 5.0 contains most of the solvents available internationally from Shell and a
number of other relevant solvents. Also, solubility map data of about 70 resins is stored in the
database. There is also an option to add any other solvent, solvent blend or solubility map data to the
database.
This manual will allow the BlendPro 5.0 user to benefit from all the functionality of the program, and
use this software tool to its full advantage. It includes information on installing, starting and using
BlendPro 5.0 and instructions on how to handle the input and output. Familiarity with the Microsoft
Windows environment is assumed.
1.1.
1. Introduction
Disclaimer
BlendPro 5.0 is used at the sole risk of Customer and is made available to subject to terms of the
separate licence agreement between Shell International Chemicals B.V. and Customer.
The data output from BlendPro 5.0 is for guidance only and should not be used in substitution of
independent calculations and/or experiments, carried out by Customer. Customer is responsible for
verifying the accuracy or validity of BlendPro 5.0 data output.
Calculated blend properties are merely best estimates of actual experimental values, since the results
depend both on mathematical models and basic data. Data output should be used as a guideline only.
This is especially true for safety-related properties such as flash points, concentration profiles which
are calculated using the exposure model and the calculated VOC and HAP contents of both blends
and formulations.
Without limiting the foregoing, Customer must not include BlendPro data output in safety data sheets
or use in respect of any calculation or document required for HSE purposes.
BlendPro User Manual
2.
3. Program limitations
About this manual

2.1. Document structure
This User Manual has been written in chronological order to guide new users through the program, i.e.
installing BlendPro, starting BlendPro, using FILES and HELP. After a description of the program
structure short procedures are given for performing the main calculations and taking advantage of the
programs functionality. The detailed index will enable you to find specific information on the various
applications, functions and options of BlendPro 5.0.
2.2. Document conventions

In this manual, BlendPro 5.0 will be referred to as BlendPro.
The following typographic conventions are used throughout:
Description
Example
Menu options
File New
BlendPro Files
BlendDoc.bpr
Important
3.
3. Program limitations
Program limitations
Users of BlendPro 5.0 should be aware of the purpose of the program and of its inherent limitations.
Calculated blend properties are merely best estimates of actual experimental values, since the results
depend both on mathematical models and basic data. Calculated results should therefore be used as
guidelines, to define the minimum number of experiments needed to arrive at valid results. This is
especially true for safety-related properties such as flash points, concentration profiles which are
calculated using the exposure model and the calculated VOC and HAP contents of both blends and
formulations.
CA.01.20618
4.
4. New Features
New features
BlendPro 5.0 offers many improvements over the previous version. Most of these improvements were
implemented after feedback from our customers. Below is a summary of the upgraded and new
features:
BlendPro 5.0 can be used with Windows 95, Windows 98, Windows ME, Windows NT, Windows
2000, Windows XP, and MS Vista.
Reformulation on flash point
Reformulation on ozone reactivity of Solvents
Temperature-dependent evaporation calculation
Spray evaporation characteristics
Reformulation on 90% evaporation time (in addition to reformulation on the single-step evaporation
time)
Temperature-dependent reformulation
Calculation of the solvent and solvent blend vapour pressure at different temperatures
Calculation of VOC content according to the EU VOC directive
Calculation of Reactivity Adjusted VOC (RAVOC) content according to the American Chemistry
Council
Calculation of HAP and VOC content according to EPA regulations
Reformulation using water
Solvent vapour exposure model
Open database structure
Simple blend handling (cut, copy, paste) within files and to/from other files
User-defined solvent and resin names
Reformulation on HAP and VOC content of blends and formulations
Addition of 30 solvents to the solvent database
Availability of over 60 solubility maps
Solvent property data is available during solvent selection
Ability to sort solvents by their properties
Easy comparison of blend properties of multiple blends
Portability of calculation results to other applications
10
5.
5. Getting Started
Getting started
5.1. Installation
To install and run BlendPro the following minimum hardware and software requirements are needed:
Windows 95, Windows 98, Windows ME, Windows NT, Windows 2000, Windows XP or MS Vista
PC with 486 processor or higher (or the minimum advised hardware configuration for the Windows
platform used)
BlendPro installation files
However, to make maximum use of the features provided with the program, the following system
requirements are recommended:
Processor:
Pentium 100 MHz or higher
Memory:
32 MB RAM
Disc space required:
At least 20 MB for installation
Monitor/Video card:
True colour palette
Screen resolution:
1024x768 pixels.
The BlendPro installation procedure will guide you through the process of installing the software on
your PC. The installation procedure is started by running Setup.exe on the CD-ROM. The required
components will then be installed on your PC in the specified directory.
During installation you are requested to choose a region:
1.
2.
3.
Asia Pacific region

Americas region
Europe and Africa region
Upon selecting a region, automatically the relevant regional properties will be enabled in the program
(for instance either VOC EU or VOC EPA will be enabled depending on your choice).
In addition the preferred units of measure set needs to be chosen (cgs, USA or SI).
Please note that the enabled properties and the preferred units of measures can be changed/modified
after installation as well. Any previously installed BlendPro 5.0 user databases (solvents, resins and
prices) will not be overwritten by the installation procedure.
A program shortcut will be created in the Start/Programs menu of Windows, as well as a shortcut on
your desktop.
NOTE: BlendPro 5.0 is a protected application and makes use of a PC specific password, also called
access verification code. After installation of the software the program is not immediately ready for
use.
Two additional steps are required to run BlendPro 5.0:
1. Request a license file (see section 5.3)
2. Install the received license file. (The time-limited license is valid for the period as agreed upon in
the License agreement document, see section 5.3).
The program will only run on the PC on which it was originally installed and for which a fingerprint
and password (license file) have been generated. The application can be moved/copied to another PC
but it will not run unless a new license file has been requested from Shell and which has been installed
on the new PC.
11
5. Getting Started
5.2. Start Up
Once software has been installed, BlendPro can be started in three different ways:
By double-clicking the shortcut icon on your desktop
By clicking the shortcut item in your Start/Programs menu
By activating the BlendPro.exe program in the BlendPro folder
The application will start and the BlendPro main windows will be shown. Although the various screens
of BlendPro can be viewed, some features of BlendPro, i.e. the calculation- and reformulation tools
cannot be accessed yet. To activate these tools an electronic license need to be installed first. Section
5.3 describes how to request and install this license.
5.3. License Request

After you have completed the software installation you need to request a License file (password). To
do this, start BlendPro and click License manager under File menu list from the menu bar. The
dialogue box as shown below will pop up, then choose Create license request and follow the
instructions. BlendPro will automatically generate a text file including a PC fingerprint. This fingerprint
(a 6 letter code) is a unique number, which is generated, based on the hardware configuration of your
PC. The completed License request needs to be sent to Shell (BlendProLicenseOffice@Shell.com) or
to your local Shell Solvents representative.
Upon receipt of your request, Shell Global Solutions will generate a password/license file and send it
to you as an attachment in an e-mail. The name of the attachment depends on the email system that
is used. It can be e.g. lservrc. lservrc.zip or winmail.dat, or any other name. The attachment
(license file) should be copied onto your desktop. Then BlendPro should be reactivated, and under the
license manager, Install License key, and then the license file should be selected.
Calculation models are now activated, and BlendPro can be used. It is recommended to remove the
license file from the desktop window since it is not further used.
12
6.
7. In short: How to?
BlendPro structure and screens

6.1. Main screen
After start up the main screen (Figure1) displays the functionality needed to operate the program.
Figure 1. BlendPro 5.0 Main screen
Each blend or set of solvents used in a reformulation exercise has its own blend tab, which is
indicated at the bottom of the screen. A yellow tab indicates a blend in the property calculation mode,
a blue tab indicates a blend in the reformulation mode. The tab that is in bold is the current tab, an
indication used for multiple-blend calculations (see section 8.5). When there is a multiple blend
selection, all of the input parameters on the screen are of the current blend tab. The blend tabs can be
copied and moved, also to other BlendPro files.
The main screen is divided into two parts, by a horizontal splitter that can be moved up and down to
enlarge either of the two parts. The upper part of the screen displays the available solvents, as well as
the output. The output is presented numerically and graphically. The lower part of the screen displays
the input section for the calculation. The blend can be defined in the fraction table on the left.
Evaporation and formulation parameters are entered in the middle, where the blend name can be set,
price sets can be selected and the switch between the calculation and reformulation mode is located.
In the section on the right the water uptake can be set together with the type of application and the
settings for the exposure model calculation.
13
6.2. Database screens

The database screens can be accessed through Menu Tools Database. Two database screens
can be accessed, one for the solvents and one for the resins. In addition to adding solvents and
resins, you can look up/print/export solvent and resin property data. See also sections 8.6.1 and 8.6.2.
Figure 2. Solvent database screen
14
Figure 3. Resin database screen
15
7.
In short: How to...?
In the sections below a short description of the main calculations and features is given. More details
on the models, their various properties and features can be found in the chapters that follow.
7.1. How to... customise BlendPro to my own needs?

BlendPro has been set up in such a way that it can be altered to meet your requirements regarding the
amount of information/properties displayed. Furthermore, the order in which the properties appear can
be customised to meet your own preferences. By default a number of properties will be visible
depending on the region selected in the set-up procedure (Europe and Africa (EU/AF), Americas
(AMS) or Asian Pacific (AP)(Americas/Asian Pacific/Europe and Africa)).
Customising the Available solvents table

You can change the contents of the various property columns in the Available Solvents table by using
the pull-down menus located on each column. Also the number of property columns visible can be
changed in Menu Tools Options by changing the value for Number of parameters. The
maximum number is 17 . Furthermore you can sort the data by clicking on the third (grey) row of a
column. For example, sorting first the Solvent name column followed by a sort on the Category column
will result in all solvents being sorted by Category and on alphabetical order within a category. See
also sections 8.6.3.1 and 9.2
Customising the Data table

The output table in the upper part of the screen can be customised to meet your needs. This is done
using Menu Tools Options Properties. Here you can make properties visible or invisible by
toggling the properties switches and change the order of the properties by dragging them to another
position. In this way you can minimise the number of properties visible in the output table in order to
make it easier to assess the results. Note that at the same time the data table and the reformulation
constraint table will change accordingly. See also section 8.6.3.2.
Customising the reformulation constraints table

The reformulation constraints table in the lower part of the screen (where the blend tab is in
reformulation mode and hence is blue) can be changed to meet your needs. This is done using Menu
Tools Options Properties. Here you can make properties visible or invisible by toggling the
properties switches and change the order of the properties by dragging them to another position. In
this way you can minimise the number of properties visible in the table in order to make it easier to set
constraints and assess the results. Note that at the same time the data table changes accordingly.
See also section 8.6.3.2.
Using your own solvent/resin names or codes

When it is more convenient to work with your own solvent/resin names or codes you can activate this
option in Options Input. This option can be set for solvents and resins separately.
Switching to user names will add an extra column to the Available Solvents table and display user
names in the lower part of the screen. In the output section in the upper part of the screen both the
BlendPro and your own names are displayed.
When changing to user names for resins, an extra column will be displayed in the selection table in the
lower part of the screen. This is visible in case you wish to select the solubility maps tab in the output
section.
By default the user names are the same as the BlendPro names and can be changed in Menu
Tools Database after switching to user names.
See also sections 8.6.3.1, 8.6.1.5 and 8.6.2.3.
16
7.2. How to... do a properties calculation ?

For additional information on the properties calculation mode see also chapter 11. An example of a
properties calculation is shown in the file Example1.bpr, which can be found in the examples folder
of the program (C:\program files\Shell Chemicals\BlendPro\Examples). The blend is called
Properties. Note the difference between a file name and blend name
Blend file and blend tab

The recommended way of working is to use one BlendPro file per project containing several blends.
Only if the number of blends becomes very large it is advisable to make more than one file. Using one
file with a lot of blends can make the program run slower, depending on the configuration of your PC.
A new file can be created using File New . In this blend file, select a tab in the Blend Section at
the bottom of the screen. (New tabs can be created using the Blends menu option). A blend can also
be copied and then changed if the differences with an existing blend are not large. See also sections
6.1 and 8.1.
Name your blend

The blend name can be changed by typing a new name in the Blend name box, located in the middle
of the screen, above the Calculation button. This name is also shown on the blend tab. See also
section 6.1 and 10.7
Select solvents
The solvents for the blend can be selected by clicking a solvent in the Available Solvents table (upper
. The selected solvent is
part of the screen) and pressing the down-arrow button in the toolbar
then added to the Solvent Fractions table on the left of the lower part of the screen. Using the Shiftkey or CTRL-key you can select more than one solvent before the down-arrow button is pressed.
Should you need to remove a solvent from the blend use, the up-arrow button
after selecting the
solvent(s) to be removed in the Solvent Fraction table. See also section 8.5 and 9.3.
Enter fractions for each solvent

The solvent fractions have to be entered for each solvent. This is done in the Solvent Fractions table
on the bottom left of the screen. The unit of the fractions can be selected using the mol/weight/volume
dropdown menu above the table. When the total of the fractions does not add up to 1 (or 100 for %)
BlendPro will normalise the data by handling the fractions as ratios. See also section 10.1.
Enter evaporation conditions

The evaporation conditions, humidity and temperature, can be changed in the section in the middle of
the screen. These conditions will influence the evaporation calculation. Furthermore, the temperature
is marked with an * to indicate that all properties (in the output and reformulation table) marked in the
same way are influenced by the temperature. See also section 10.2.
Enter formulation properties

The formulation properties, solids content and formulation density, can be changed in the
corresponding section below the evaporation conditions. These two parameters are needed for the
calculation of VOC and HAP contents of formulations and when using the spray evaporation and
exposure model calculations. See also section 10.3.
17
Setting water uptake

This option will calculate the total amount of water taken up by a blend for 0 to 90% of relative
humidity at the amount of weight evaporated as indicated by the user. This option allows you to study
the effect of relative humidity at a selected weight of the solvent blend evaporated. By default Water
Uptake is toggled off. See also section 10.4.
Setting application method

First you may choose the application method: brush (based on ASTM D3539) or spray evaporation
application. The spray application option allows you to simulate the compositional change of the
sprayed formulation. In this way the solubility power of the blend after spray can be assessed as well
as the amount of solids, which largely determines the viscosity (sagging, levelling).
The input parameters are the spray temperature, distance, the wet film thickness that will be applied
on the substrate, its formulation density and solids content. See also section 10.5.
Using the exposure model

The model can only be used when the application method is set to brush. It allows you to calculate the
concentration change of the solvent vapour in a standard room. Although the results are purely
indicative, the model can be very useful to assess differences between blends. The input parameters
are the chamber volume, the source area, the air exchange rate, the film thickness, its formulation
density and solids content. See also section 10.6.
Calculate your blend

After the blend has been defined, you press the Calculate button. The output will be calculated and
displayed in the upper part of the screen. The properties data table will be activated unless another
output tab has been selected previously. See also section 10.7.
Access your results

The output of the calculation can be viewed in the upper part of the screen. The Data tab presents
tabular output, the other tabs graphical output. Use the splitter to enlarge the upper part of the screen
and hence enlarge the output table and the graphs. See also chapter 13.
Save your blend

To save a blend you have to save the entire blend document (file) using the File Save or File
Save As option. In this blend document, the blend tab is then saved. See also section 8.1.
Print result
With File Print you can print the input and output data. Also a selection of the data can be
made. See also section 8.1.
7.3. How to... perform a reformulation?

For additional information on the reformulation mode see also Chapter 13. An example of a
reformulation is given in the file Example2.bpr, which has three blends. (C:\program files\Shell
Chemicals\BlendPro\Examples). The first one is called original, which is the blend to be
reformulated. The second one is called reformulation input, in which the settings can be viewed
before the actual reformulation. The third one contains the reformulation output and is called
reformulation output. In practice this result would be the starting point for further fine tuning.
18
Calculate the properties of the initial blend

In order to reformulate a blend it is necessary to calculate the properties of the initial blend because (in
general) the technical performance of the new blend needs to be similar to that of the initial blend. The
procedure to perform a properties calculation is described in the previous paragraph. Perform this
calculation on the first tab of the file and then make a copy of it using the commands Blend
Copy
followed by Blend
Paste, in the main menu. Both blend names can be changed if preferred. See
also sections 7.2 and 8.4.
Switch copied blend tab to reformulation

Select the copied blend tab. This is the blend the actual reformulation is going to be performed on.
Next to the Calculate button is the reformulation check box, which has to be selected to switch to the
reformulation mode. Then, the following changes can be seen:
Part of the screen including the blend tab will turn blue to indicate the reformulation mode
The Reformulation constraints table appears instead of the Water Uptake, Application and
Exposure model areas
The fraction values in the solvent fractions table that has now become a list of solvents which the
reformulation module can use to suggest a blend, are write protected
The Calculate button is now the Reformulate button
The results of the properties calculation are used as a reference point and are displayed in the
Initial column in the Reformulation Constraints table
See also section 12.1.
Add solvents to the list of solvents used by the reformulation module

Additional solvents need to be added to the list of solvents. To add a solvent, select it in Available
. To remove a solvent from the list, select it in the
Solvents table and press the down-arrow button
solvent fractions table and click the up-arrow button

.
Selection of the solvents requires some knowledge of solvents and is a very important step because it
determines the boundaries of possible solutions. You should select solvents based on solvency
power, boiling point (evaporation, flash point), availability, price and other important properties.
Selecting too few solvents will reduce the chances of finding a suitable blend as well as the chance of
finding unexpected solutions. However, selecting too many solvents will make it difficult to assess the
results. You should at least make sure the program has a selection of solvents that covers your
technical and cost window, i.e. solvents representing the minimum and maximum value possible for all
properties that are important for the blend.
Enter evaporation conditions and formulation properties

You can change the evaporation conditions and formulation properties. These properties will influence
the output of the calculations. Properties that are affected are the evaporation behaviour (see section
11.7), phase separation (see section 11.6), vapour pressure (see section 11.13) and the VOC and
HAP contents of formulations (see section 11.14-11.22).
Setting the reformulation constraint type

The constraints on the properties of the blend can be entered in the Reformulation Constraints table
located at the bottom right of the screen. Pull the horizontal splitter up to enlarge the table if
necessary. The properties on which constraints can be set have white input fields. In the Constraint
column the type of constraint can be selected. This can either be Equal, Larger, Smaller, Between.
The empty option in the list box indicates that no constraint is used for that property. See also section
12.5.
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Enter the constraint values

The constraint values have to be entered in the Val1 and Val2 columns. The Val1 column is used to
enter the values in case of an Equal, Larger or Smaller constraint. In case of a Between
constraint, the lower bound must be entered in the Val1 column and the upper bound in the Val2
column. The status bar shows the range within which the constraint value should be, based on the
selected solvents. If a solvent in the initial blend is not allowed in the reformulated blend, simply set a
constraint on the solvent concentration: Equal 0.
Note that price optimisation can be performed by selecting a price set, in the middle of the screen,
above the Reformulate button. Price optimisation can be switched off by selecting None as the price
set. Prices need to be entered in the database before one can reformulate using prices.
Perform the reformulation

The actual reformulation can be started by clicking the Reformulate button. The reformulation will
usually take significantly longer than the properties calculation, especially when constraints on the
90% evaporation time or the flash point have been entered. If reformulation using the 90% evaporation
time is very slow, one can use the single-step evaporation time, although it is less accurate (see
Chapter 11.8). After the reformulation a properties calculation is automatically carried out on the
suggested blend. In this way all properties of the suggested blend can be assessed. Reformulating by
using a constraint on the VOC or HAP content of a formulation differs slightly from this procedure and
is discussed in section 7.4.
Access your results

The properties of the reformulated blend are displayed in the Result column of the Reformulation
Constraints table and can be easily compared to the initial blend. The calculation output can be
viewed in more detail in the upper part of the screen. Use the splitter to enlarge this, if required. See
also chapter 13.
Save your blend

When the suggested blend appears suitable you should copy the blend tab and continue reformulating
to try and find another option. In this way all possible blends are available in one file, which allows for
easy comparison using the multiple-blend option. This option is discussed in section 7.5. To save a
blend you save the file using File Save or File Save As. See also section 8.1.
Print result
With File
Print the input and output data can be printed. See also section 8.1
7.4. How to... reformulate using a constraint on VOC or HAP content of a
formulation?
Both the VOC (EU and EPA) and HAP content of a formulation can be used as a reformulation
constraint. The same reformulation procedure described above is advised. However reformulation
using this property is different from the reformulation using other constraints. This is because the
formulation density (which is needed for the VOC or HAP content calculation) changes as the solvent
blend changes. For this reason, a new estimated formulation density is calculated for the suggested
blend, which can be used for comparison after the reformulation. This property is added to the data
table located in the upper part of the screen. Note that the estimated formulation density replaces the
viscosity property in the table. For this reason, before reformulating by using a constraint on the VOC
or HAP content of a formulation, make sure the viscosity is switched to visible in Menu Tools
Options
Properties.
20
7.5. How to... compare the results of more than one calculation ?
For comparison of the results of more than one blend, the multiple-blend option can be used. By
calculating more than one blend tab at the same time the results are integrated on one screen to allow
for easy comparison.
Select blend tabs and calculate/reformulate

Select the blend tabs you want to compare by clicking on them while pressing the Ctrl-key or the Shiftkey at the same time. One of the blend tabs will be in bold indicating that it is the current blend tab.
Depending on the mode that the current blend tab is in, click the Calculate or Reformulate button to
start the calculation of the selected blends.
The Output/Data table

The results of a multiple blend property calculation can also be inspected in the Data table. After
having performed a multiple blend properties calculation BlendPro will show all the results in the same
table. Each blend is separated by a blank column. Use the horizontal scroll bar to inspect all the
blends.
Figure 4. Data table after having performed a multiple blend calculation.
21
Evaporation plot
In this plot the evaporation is displayed for all selected blends that are in the same evaporation mode
as the current blend tab.
Figure 5. Evaporation plot in multiple-blend mode
Solvent Balance plot

In this plot the balance or change in composition is displayed only for the current blend.
Solubility Maps
In this plot the change in solvency power of all selected blends during evaporation are shown. In one
figure together with the resin solubility map of the selected resin,.
Figure 6. Solubility plot in multiple-blend mode
22
Solids plot
In this plot the change in solids content during evaporation is displayed for all selected blends.
Figure 7. Solids plot in multiple-blend mode
Water uptake plot

In this plot the water uptake of the blend at a selected weight % evaporated is displayed for all
selected blends.
Figure 8. Water Uptake plot
Exposure Model plot

In this plot the concentration change in a room is displayed only for the current blend. This graph is
only shown when the Exposure model is selected for the current blend.
23
7.6. How to... add solvents to the Solvent database?
Open the Solvent Database

You can edit the Solvent Database. The database can be accessed using the menu option Tools
Database Solvents. The database is then opened in a new window. This database window
can be used for viewing and editing the contents of the database. For more information on Solvent
Database handling see section 8.6.1.
Add a solvent
By selecting Solvent Add in the menu you can add solvents to the database. An empty line will be
inserted with the user icon indicating that this solvent has been added by the user. The solvent
properties can now be entered in the empty fields. The composition of the solvent in terms of UNIFAC
groups (see also section 8.6.1.4) can be entered in the table to the right of the database window. To
enter the UNIFAC data of a solvent, first select the entire row of that solvent by clicking on the first
grey cell of that row. The blue cells of the UNIFAC table will become white. Note that, although it is
possible to use one group type twice or more in the same molecule description this will lead to
erroneous results. By clicking File Save and Exit or the cross at the top right of the database
window, you actually add the new solvent to the database and close the Solvent Database window.
Only when all compulsory fields have been entered, the database will close and a warning message
will appear if they have not been completed. After this all empty fields that need a value will become
red. If File Cancel is selected the database window is closed without saving the changes. When
the changes in the database have been saved, the Available Solvents table will be automatically
updated. Please note that when the user name option is off (see also section 8.6.3.1) no entry will be
required for the user name field. Additionally, if the user name option is switched on afterwards, empty
user name fields will appear red in the Available Solvents table (see also Chapter 9).
7.7. How to... remove solvents from the Solvent database
Open the Solvents Database

The database is accessed using the menu option Tools Database Solvents. The
database opens in a new window. This database window can be used for viewing and editing the
contents of the database. For more information on Solvent Database handling, see section 8.6.1.
Select and Delete a solvent

A solvent row first needs to be selected before it can be deleted. Note that only user solvents can be
deleted. Select Solvent Delete in the menu to delete solvents from the database. By clicking File
Save and Exit or the cross at the top right of the database window, you actually delete solvent from
the database and close the Solvent Database window. If File Cancel is selected the database
window is closed without saving the changes. When the changes in the database have been saved,
the Available Solvents table will be automatically updated.
24
7.8. How to... add a Solvents Price Set?

Access the database using the menu option Tools Database Solvents. The database is
then opened in a new window. This database window can be used for viewing and editing the contents
of the database. For more information on Solvent Database handling see section 8.6.1.
Add a price set
By selecting Price set Add in the menu you can add price sets to the database.
A price set database is created after you have selected a name for it. A column will be added after the
last column. The price set name can be edited by clicking the column header and entering the name of
the set. The currency of the set can be edited by clicking the cell below the price set name. The prices
of the individual solvents are entered in the fields in the column. Note that the prices can either be per
unit weight or per unit volume, depending on the setting in the user interface options (see section
8.6.3.1). This is indicated in the status bar in the database. In the main screen this is indicated in front
of the selected price set name, above the Calculate button. Note that both the price per unit weight as
well as the price per unit volume is calculated regardless of the setting of the price unit switch. By
clicking File Save and Exit or the cross at the top right of the database window, you save the
changes made to the database and close the Solvent Database window. If File Cancel is selected,
the database window is closed without saving the changes. When the changes in the database have
been saved, the Available Solvents table will be automatically updated.
7.9. How to... remove a Solvents Price Set?

The user can edit the Solvents Database. The database is accessed using the menu option Tools
Database Solvents. The database opens in a new window. This database window can be
used for viewing and editing the contents of the database. For more information on Solvent Database
handling, see section 8.6.1.
Remove a Price set

In order to be able to delete a price set database you will need to select the price set database by
clicking on one of the cells of the column to be deleted. By selecting Price set Delete in the menu
you can delete price sets from the database.
By clicking File Save and Exit or the cross at the top right of the database window, you save the
changes made to the database and close the Solvent Database window. If File Cancel is selected
been saved, the Available Solvents table will be automatically updated.
7.10. How to Modify the User name or HAP/VOC content of a solvent?

The user can edit the Solvents Database. The database is accessed using the menu option Tools
Database Solvents. The database opens in a new window. This database window can be
25
used for viewing and editing the contents of the database. For more information on Solvent Database
handling, see section 8.6.1.
Modify the User name or HAP/VOC content of a solvent
In order to change the user name or the HAP or VOC content of a solvent you will need to click on the
appropriate white (editable) cells in the solvent database and type the new name or value.
changes made to the database and close the Solvent Database window. If File Cancel is selected
been saved, the Available Solvents table will be automatically updated.(see section 8.6.1.5)
7.11. How to... add resins to the Resin Database ?
Open the Resin Database

The database is accessed using the menu option Tools Database Resins. The database
then opens in a new window. This database window can be used for viewing and editing the contents
of the database. For more information on Resin Database handling, see section 9.6.2.
Add a resin
By selecting Resin Add in the menu you can add solubility map data to the database.
A row will be added with a user icon. The resin properties can now be entered in the empty fields. In
the table on the right side of the window the data for the true and non-solvency lines can be added
(see also section 13.4). By clicking File Save and Exit or the cross at the top right of the database
window, you save the changes made to the database and close the resin database window. When
compulsory data has not been entered these fields will be indicated in red and the database will not
close. If File Cancel is selected, the database window is closed without saving the changes. The
table next to the Solubility Map plot will be updated accordingly.
7.12. How to... remove resins from the Resin Database
Open the Resin Database

Access the database using the menu option Tools Database Resins. The database then
opens in a new window. This database window can be used for viewing and editing the contents of the
database. For more information on the Resin Database handling, see section 8.6.2.
Select and remove a resin

The resin to be deleted from the database has to be selected from the list. Note that only resins or
elastomers with a user-icon can be deleted. By selecting Resin Delete in the menu you can delete
solubility map data from the database. The BlendPro resins cannot be deleted. By clicking File
Save and Exit or the cross at the top right of the database window, you save the changes made to the
database and close the Resin Database window. If File Cancel is selected, the database window is
closed without saving the changes. The table next to the Solubility Map plot will be updated
accordingly.
26
8.
8. BlendPro Menu section
BlendPro Menu section
The menu's location is at the top of the BlendPro main screen.
Figure 9. BLENDRPO menu section
Besides the more standard Windows options, File, Edit, View, Window and Help, this menu also
contains BlendPro specific options: Blends, Solvents and Tools.
The Blends option can be used to cut/copy/paste complete blends and the Solvents option can be
used to add or remove solvents to/from a blend. Finally the Tools option is used for user interface
settings and database access.
All the menu options are described in detail in the following paragraphs.
8.1. File
The File option has the following sub-options:
Figure 10. File options
File New
Ctrl-N
This option is used for creating a new BlendPro file. A BlendPro file can contain data of several
individual blends. The new file will be called BlendDoc.bpr and can also be activated by clicking the
New File button on the toolbar
27
File Open
Ctrl-O
This option is used to open previously saved BlendPro files. An existing filename.bpr document is
opened into BlendPro. (Note that BlendPro 4.0 documents are not compatible with BlendPro 5.0.) This
option can also be activated by clicking the File Open button on the toolbar
File Save
Ctrl-S
This command saves an opened document using the same file name. This saves all the blend data to
the filename.bpr document. If the document has not been saved previously (BlendDoc.bpr) file, the
Save As dialogue is displayed, where a name and location for the new document can be specified.
This option can also be activated by clicking the Save File button on the toolbar
File Save As
Ctrl-A
This command saves an opened document to a specified file name and location.
File License Manager

This command opens the License Manager dialogue box. With the license manager a license can be
requested by selecting Create license request An electronic license will then be generated and sent
to the user that needs to be installed according to the procedure described in 5.3.
File Print
Ctrl-P
This command prints a document. This option is used for printing the blend input and output data.
Both, the input data, output tables and output graphs can be printed. A print dialogue will be displayed
to select the data and print options.
The main print dialogue can be accessed via Menu
File
Print or the Print button on the toolbar
28
and can be used for printing the data for each selected blend.
Figure 11. Main print dialogue
The All option will print all the items listed under Selection. The Selection option allows you to make a
print selection e.g. only the Data table or the Solubility Maps plot.
Each printout is preceded by the main blend data and evaporation conditions. As is shown in
Figure 11 you can select OK in the main print dialogue to continue printing or Cancel to cancel the
printing. If OK is chosen, the standard Windows print dialogue is shown for further print handling.
Figure 12. Standard Windows Print dialogue
File Print Preview

This command displays the current table or graph on the screen as it would appear when printed. This
option enables you to preview the data to be printed. The print preview can be printed subsequently
using the Print button on the Print Preview window.
29
File Print Setup

Printer settings can be changed by using this option. The standard Windows print setup dialogue will
be shown.
File Recent Files List

Recently used BlendPro files can be selected from a list in this menu. Clicking on the names in the list
is a fast way to re-open one of your recently used BlendPro files.
File Exit
This is the exit command for the BlendPro program. If there are any unsaved changes, a warning
dialogue pops up and you are asked whether you want to save any changes. When the program
closes the calculated data and all user settings (e.g. units of measure, visibility of properties) are
stored.
8.2. Edit
The Edit menu option offers the standard Windows options to cut or copy and paste text to and from
the clipboard. The options Cut, Copy and Paste are standard Windows options, which enables
you to manipulate text segments. For instance, lines from tables can be copied or cut into documents
in other applications. Furthermore, these commands can be used to copy graphs and data from tables
to other applications after selecting the graph by clicking on it. These commands can also be activated
by clicking the corresponding buttons on the toolbar
Figure 13. Edit Options
8.3. View
View Status Bar

This option shows or hides the status bar, which is located just below the blend tabs. The status bar
displays feedback on actions (e.g. during reformulation, information on the constraints is displayed
here) and the status of the Num/Caps Lock keys. In the database window the status bar contains
information on the current Price set unit (weight/volume).
8.4. Blends
Besides the New and Delete options, the other standard edit options Cut, Copy and Paste are
also available for the blends.
30
Figure 14. Blends options
Blends New
This option is used to create a new blend-tab in the current BlendPro file. Blend tabs can be deleted
and copied using the other Blend menu options.
Blends Delete
The selected blend tab will be deleted from the current blend document.
Blends Cut Blend

This option cuts the selected blend tab to the clipboard.
Blends Copy Blend

This option copies the selected blend tab to the clipboard.
Blends Paste Blend

This option pastes the selected blend tab from the clipboard into the current BlendPro file. Note that
this can also be another BlendPro file not only the one the blend tab originated from.
8.5. Solvents
Solvents has two sub-options called Add solvent to blend and Remove solvent from blend. Note
that both options cannot be enabled at the same time. When a solvent in the Available Solvents table
is selected the Add solvent to blend option will be enabled. When a solvent in the Solvent Fractions
table is selected the Remove solvent from blend option is enabled.
Figure 15. Solvents Options
Solvents Add solvent to blend

The selected solvent in the Available Solvents table will be added to the blend by copying the solvent
to the Solvent Fractions table. When the tab is in the reformulation mode, this option adds solvents to
the list of solvents that the program can pick from for suggesting solvent blends. This action can also
be performed using the down-arrow button in the toolbar
31
Solvents Remove solvent from blend

The selected solvent in the Solvent Fractions table will be removed from the current blend. When the
tab is in the reformulation mode, this option removes solvents from the list of solvents that the program
can pick from for suggesting solvent blends. This action can also be performed using the arrow-up
button in the toolbar
8.6. Tools
Tools has two sub-options called Database and Options.

The database option provides access to the Solvent and Resin databases. You can view database
data and add or delete user solvents and resins.
The options menu can be used to enter settings for the user interface, such as the units of
measurement set and the properties to be displayed.
Figure 16. Tools options
8.6.1. Tools Database Solvents
Tools Database Solvents

The Solvent Database window allows you to look up physical solvent properties or update the
database. Property data of the individual solvents are displayed and data may be entered or edited. All
user solvents data can be edited. For solvents data provide by Shell only the Username, the HAP and
the VOC data can be modified.
Figure 17. Part of Solvent Database
32
8.6.1.1. Solvent database Menu
File Print
This option prints the complete Solvent Database. In order to print a selection of one or more solvents
from the database, please select those solvents and use the Edit Cut/Copy options to copy the
selection to the clipboard. The content of the clipboard can then be imported into another windows
application and printed.
33
File Print Preview

This option enables you to preview the data to be printed. The print preview can be printed
subsequently using the Print button on the Print Preview window.
File Print Setup

Printer settings can be changed by using this option. The standard Windows print setup dialogue will
be shown.
File Cancel
This command closes the database window without saving changes made to the database.
File Save and Exit

This command closes the database window, saving all changes made to the database.
Edit Cut, Copy, Paste

the clipboard. The options Cut, Copy and Paste are standard Windows options, which enables
you to manipulate text segments. For instance lines from tables can be copied or cut to documents in
other applications.
Solvent Add
By selecting Solvent Add in the menu, you can add solvents to the database. An empty line will
be inserted with the user icon indicating that this solvent is added by you. The solvent properties can
now be entered in the empty fields. By clicking File Save and Exit or the cross at the top right of
the database window, you actually add the new solvent to the database and close the Solvent
database window. When not all of the compulsory fields have been entered, the database will not
close and a warning message will appear. All empty fields that require a value will become red. If File
Cancel is selected the database window is closed without saving the changes. The Available
Solvents table will be updated automatically.
Solvent Delete
A solvent row first needs to be selected before it can be deleted. Note that only user solvents can be
deleted. By selecting Solvent Delete in the menu you can delete solvents from the database. By
clicking File Save and Exit or the cross at the top right of the database window, you actually delete
the solvent(s) from the database and close the solvent database window. If File Cancel is selected
the database window is closed without saving the changes. The Available solvents table will be
updated automatically.
Price set Add

A price set column will be added at the end of the table. The price set name can be edited by clicking
the header and entering the name of the set. The currency of the set can be updated by clicking and
editing. The prices of the individual solvents can be entered in the fields in the column. Note that the
prices can either be per unit weight or per unit volume, depending on the setting in the user interface
options. This is indicated in the status bar. By clicking File Save and Exit or the cross at the top
right of the database window, you save the changes made to the database and close the solvent
34
database window. If File Cancel is selected, the database window is closed without saving the
changes. The Available Solvents table will be automatically updated.
Price set Delete

First select a price set column after which, by selecting Price set Delete in the menu the user can
delete the Price set from the database.
changes made in the database and close the Solvent Database window. If File Cancel is selected
the database window is closed without saving the changes. The Available Solvents table will be
updated automatically.
Help Help Topics

Ctrl+H
With Help you can access the Help file for BlendPro. When entering the Help file for the first time
after installation, you are guided through the standard Microsoft Help set-up. This will create the list
containing all the words in the Help file.
Help About BlendPro 5.0
Ctrl+A
The about dialogue contains the name and version number of the program and the copyright owners.
8.6.1.2. Properties
The Solvent database window shows all the available solvents in the databases. These can either be
solvents in the Shell database or user solvents, as indicated by the icon in the column on the left.
Solvents in the Shell database which are current Shell products are indicated with the name Shell in
red. The data columns show the properties of the solvents. These properties are presented in
APPENDIX 2, together with the different units and conversion factors. Data on solvent prices are not
included in the database, as they generally depend on the market situation. Prices can be added to
the database by creating a new price set, which can subsequently be filled with prices. The user can
Options the unit (price per weight or
name the price set and define the currency used. In Tools
volume) can be set. Note that as this option is changed the prices in the database are automatically
changed on the basis of the density of the solvent. This is indicated in the status bar in the database
window. In the main screen this is indicated in front of the price set in the middle of the screen.
8.6.1.3. The database table
Scrolling horizontally through the table you will notice that the columns left of the thick vertical line
(solvent and category) are fixed. You can scroll through the parameter columns using the horizontal
scrollbar or by clicking on a cell and dragging the mouse.
The header of the table consists of 3 rows. The first row contains the column name, the second row
contains the unit and the third row contains the sorting indicator. Clicking the first row selects the
column, clicking the second row has no effect and clicking the third row changes the sorting criteria of
the solvents. Note that a combined sort can be done by clicking the sort indicators of a fixed column
(on the left of the thick vertical line) and a properties column. A selection of one or more rows can be
made for printing by using the Ctrl-key and Shift-key.
35
8.6.1.4. UNIFAC data

An extra table with UNIFAC data is displayed on the right side of the window. This UNIFAC table
presents data for the selected solvent. The first column in this table shows the UNIFAC group number
and description. The second column shows the number of such groups in the selected component.
UNIFAC data is used to describe all the solvents in the Solvent Database to accommodate the various
interactions between functional groups of the solvent molecules in the calculations. The listing for each
solvent in the table is shown by selecting the solvent. This is done by clicking on the first cell of the
row in which the properties of the solvent are given. For example ethanol is described as the sum of 1
x 1:CH3, 1 x 2:CH2 and 1 x 15:(OH). The description of hydrocarbon solvents uses fractional numbers
of groups in order to represent complex mixtures more accurately. For example SHELLSOL D40 is
described by 3.4 x CH3, 3.3 x 2:CH2, 1 x 3:CH, 1.2 x 112:C and 1.2 x 113:CH2=CH. Note that it is
possible to use one group type twice or more in the same molecule description, e.g. in the above
example: 0.6 x 113:CH2=CH and 0.6 x 113:CH2=CH instead of 1.2 x 113:CH2=CH. However this leads
to erroneous results, since different interaction factors are calculated. A full listing of the UNIFAC
group types and their meaning is given in APPENDIX 4.
8.6.1.5. Modifying the database
The user can modify some of the fields of the BlendPro solvents in the default databases (User Name,
HAP- and VOC content) and all fields of the user solvents. User-editable fields have a white
background. Read-only fields have a blue background. The modified data is saved to the database by
selecting File Save and Exit or clicking the cross on the top right of the window. By clicking File
Cancel the database is closed without saving the modified data.
The Price set names and Price set currencies can be edited by clicking the text and editing. Note that
the prices are either per unit weight or volume, as indicated in the status bar. This can be changed in
Menu Tools Options Input. The commands in the Solvent and Price set menu can be used to
add and delete user solvents and price sets.
By selecting File Save and Exit you save all changes made to the database and the database
window is closed. By selecting File Cancel, you close the database window without saving the
changes. Before data is saved, a check on completeness of the data is done. Mandatory input fields
for which no input has been entered are displayed in red. Note that when the user name option is off
(see also section 9.6.3.1) no entry will be required for the user name field. If the user name option is
switched on afterwards, empty user name fields will appear red in the Available Solvents table (see
also Chapter 10).
Furthermore note that the flash point flag parameter needs to entered to indicate the presence of
Antoine constants (present: 1, not present:0). If a number other than 1 is entered it is interpreted as a
0.
8.6.2. Tools Database Resins
Tools Database Resins
Ctrl+R
In the Resin Database window property data of the individual resins are displayed and data for user
resins can be entered and edited. These properties are the resin name, type of resin, solids content at
which the map has been constructed and additional information.
36
Figure 18. Part of Resin Database
The Resin Database window shows all the available resins in the database. User resins or elastomers
are indicated by the icon in the column on the left.
A special table with resin map data is displayed on the right side of the window. This table presents
data for the selected resin or elastomer. This data can be made visible by clicking the first cell of a
particular resin. The first two columns in this table show the HSP and HBI True solvent data, which
are the co-ordinates of the line indicating the border between the true solvent area and the transition
area. The other columns show the Non solvent data, which are the co-ordinates of the line indicating
the border between the non-solvent area and the transition area. Information on the resins in the
BlendPro database is given in APPENDIX 3.
8.6.2.1. Resin Database Menu
File Print
This option prints the complete Resin Database. In order to print a selection of one or more resins
from the database, please select those resins and use the Edit Cut/Copy options to copy the
selection to the clipboard. The content of the clipboard can then be imported into another windows
application and printed.
File Print Preview

This option enables you preview the data to be printed, without entering the File Print option. The
print preview can be printed subsequently using the Print button on the Print Preview window.
File Print Setup

Printer settings can be changed with this option. The standard Windows print setup dialogue will be
shown.
File Cancel
This option closes the database window without saving changes made to the database.
37
File Save and Exit

This option closes the database window, saving all changes made to the database.
Edit Cut, Copy, Paste

he clipboard. The options Cut, Copy and Paste are standard Windows options, which enables you
to manipulate text segments. For instance lines from tables can be copied or cut and pasted to
documents in other applications.
Resin Add
By clicking this option you will add a row. The resin properties can now be entered in the empty fields.
changes made to the database and close the Resin Database window. If no data has been entered in
the compulsory fields, those fields will be indicated in red and the database will not close. If File
Cancel is selected the database window is closed without saving the changes. When the changes
have been saved, the Solubility Map selection table will be updated accordingly.
Resin Delete
The resin to be deleted from the database has to be selected from the list. Note that only resins or
elastomers with a user-icon can be deleted. By selecting Resin Delete in the menu you can delete
solubility map data from the database. The BlendPro resins cannot be deleted. By clicking File
Save and Exit or the cross at the top right of the database window, you save the changes made to the
database and close the Resin Database window. If File Cancel is selected, the database window is
closed without saving the changes. When the changes have been saved, the table next to the
Solubility Map plot will be updated accordingly.
Help Help Topics

Ctrl+H
after installation you are guided through the standard Microsoft Help set-up. This will create the list
containing all the words in the Help file.
Ctrl+A
The about dialogue contains the name and version number of the program and the copyright owners
8.6.2.2. The database
Scrolling horizontally through the table you will notice that the columns left of the thick vertical line are
fixed. You can scroll through the parameter columns using the horizontal scrollbar or by clicking on a
cell and dragging the mouse. Note that a combined sort can be done by clicking the sort indicators of
a fixed column (on the left of the thick vertical line) and a properties column. A selection of one or
more rows can be made for printing by using the Ctrl-key and Shift-key.
38
The header of the table consists of 3 rows. The first row contains the column name, the second row
contains the unit and the third row contains the sorting indicator. Clicking the first row selects the
column, clicking the second row has no effect and clicking the third row changes the sorting criteria of
the resins.
8.6.2.3. Modifying the database
The user can modify the fields of the user resins in the database. User-editable fields have a white
background. Read-only fields have a blue background.
By editing a user-editable field you can modify the resin parameters. By selecting File
Save and
Exit you save changes made to the database and the database window is closed. By selecting File
Cancel, you close the database window without saving the changes. Before data is saved, a check
on completeness of the data is done. Mandatory input fields for which no input has been entered are
displayed in red.
8.6.3. Tools Options

The options dialogue appears when this menu item is used. This enables you to enter settings for the
user interface in order to change its appearance so that the proper amount of information is displayed
on screen. The options dialogue contains two tabs with specific user interface settings for:
Input
Properties
The individual settings are described below.
Tools Options
Ctrl+O
The Options screen is used to modify the BlendPro Options in such a way that it meets your
requirements. The individual settings are described below.
39
Figure 19. BlendPro Options Input
The Options dialogue, which is implemented using tab-controls, has four additional buttons.
OK
Cancel
Apply
Help
applies the changes and closes the dialogue.

discards the changes and closes the dialogue.
applies the changes but does not close the dialogue.
displays help.
The two tab-options are

Input
Properties
8.6.3.1. Input
The following options can be configured:
Solvent identification The options to choose from are Shell Name or Shell Name
and User Name. Only one of these options can be selected. The default selection is Shell
Name. Changing the option will have an effect on the columns on the Available Solvents
table and the Solvent Database dialogue: the user name may be added as a column. In the
Fractions table and the Constraints table (reformulation) only the user names will be
40
displayed. This option allows you to indicate solvents by means of a specific name or code
during operation of the program. By default the user names are the same as the BlendPro
names and can be changed in the Solvent Database when the user name option is
switched on. Note that when the user name option is off (see also section 9.6.3.1) and a
solvent is added to the database, no entry will be required for the user name field.
Additionally, if the user name option is switched on afterwards, empty user name fields will
appear red in the Available Solvents table (see also Chapter 10).
Number of parameters This parameter defines the number of solvent parameters

that are shown in the Available Solvents tab of the input window of the blend definition.
Using this option together with the possibility to change the content of the columns in the
Available Solvents table, you can change the solvent property information to suit your own
needs.
Resin identification The following options are available: Resin Name or Resin
Name & User Name. Only one of these options can be selected. The default selection is
Resin Name. Changing this will have an effect on the columns of Resins Database
dialogue and of the Resin Selection table: The user name may be added as a column. This
option allows you to indicate resins by means of a specific name or code during operation
of the program. By default the user names are the same as the BlendPro names and can
be changed in the resin database when the user names option is switched on.
Units The values to choose from are: SI, cgs and USA. These values are selected from a
list box. The settings will have an effect on all the input and output data shown in the user
interface. For all properties the units and conversion factors are given in APPENDIX 2.
Price unit The price unit can be selected as either price per unit weight or volume. This
will have an effect on the prices displayed in the Solvent Database dialogue and the
Available Solvents table. The price unit is indicated in front of the selected price set in the
middle of the main screen. In the database window this is indicated in the status bar. Note
that when this option is changed, the prices in the database are automatically changed on
the basis of the density of the solvent. This will also change the values displayed in the
Available Solvents table. In the output table, however, both the price per weight as well as
the price per volume can be made visible.
8.6.3.2. Properties
41
Figure 20. BlendPro Options Properties
The settings on this Properties tab change the visibility of the properties and also the order in which
they are displayed in the Output and Constraints table. The visibility of each property can be toggled.
The order in which the properties are shown can be changed by selecting a row and dragging it to the
desired position.
8.7. Window
This option allows you three ways of aligning the windows. At the bottom you can see a list of the
BlendDoc.bpr files, which are open. The document you are working on is marked with a .
Figure 21. Windows options
42
8.8. Help
Help Help Topics

Ctrl+H
after installation, you are guided through the standard Microsoft Help set-up. This will create the list
containing all the index words in the Help file.
Ctrl+A
The about dialogue contains the name and version number of the program and the copyright owners.
43
9.
10. Calculation input section
Available Solvents Section
The Available Solvents

the Solvents Database.
Section is a representation of all available solvents which are listed in
Figure 22. Available Solvents Section
9.1. Icons
In the left column two kinds of indications may appear: The name Shell in red or an user icon. The
name Shell indicates that the product is a current Shell product. Note that not all products indicated,
as a Shell product will be available in all markets/regions. For further information on product
availability, please contact your local Shell Company.
9.2. Database
The second column contains the name of the BlendPro database in which the solvent is placed. The
name of the database can be used as a rough indication of where the product may be purchased.
Abbreviations used: EU = Europe; AP = Asian Pacific, NA= North America (US and Canada); SA =
South America; AF = Africa.
For further, actual, information on product availability, please contact your local Shell Company.
Apart from the regional databases which indicates where the product might be purchased, three
additional databases exist which are named: Old, Renamed and Other, respectively.
The Old database contains data of old Shell products, which are no longer marketed by Shell. This
data is still very valuable in case you want to reformulate an existing formulation, which contains
the old products.
44
The Renamed database contains the data of Shell products which have been renamed. These
products are still available from Shell, but under a new name. The new name is indicated between
brackets after the old name.
The Other database contains data of solvents which are not marketed by shell or which are
marketed by Shell but under a different trade name. In the latter case, the Shell trade name of that
product is added between brackets and name Shell will be present in the first cell.
9.3. Solvents list

The third column is a list of all the available solvents in the Solvent Database. The database can be
modified using Menu Tools Database Solvents. The solvents are listed together with
their individual properties. The number of properties can be changed as discussed in section 9.6 by
Menu Tools Options. The content of a property column can be changed as
well, using the selection mechanism in the top row, as is indicated in the figure
below.
Property
Properties list
Figure 23. Changing properties
By clicking-and-dragging the borders of the columns you can adjust the column width.
9.4. Solvent selection

Solvents are selected from the Available Solvents table by clicking on the row of a particular solvent.
More than one solvent can be selected at the same time by using the Shift or Ctrl button. You can also
drag the mouse pointer through the table while holding the mouse button to select more than one
solvent. After the selection is made the solvents are added to the blend by choosing Add solvent to
blend in Menu Solvents Add solvent to blend or by clicking the down-arrow button in the
toolbar
. If a solvent needs to be deleted from the blend, first select it in the Fractions table, then
choose Delete solvent from blend in Menu Solvents Delete solvent from blend or click the
arrow-up button in the toolbar
45
10.
Calculation input section in property calculation mode
The definition of the blend and the evaporation conditions is done in the input section on the display,
which contains the following areas when BlendPro is in the properties calculation mode:
Solvent Fractions
Evaporation Conditions
Formulation Properties
Water Uptake
Application
Exposure Model
Blend Tabs
Blend name, Price set and Calculate/Reformulate
The picture below shows the blend section in the properties calculation mode. It has a different
appearance in the reformulation mode, which will be shown in the next chapter.
Evaporation
Conditions
Solvent
Fractions
Calculate/
Reformulate
Water Uptake
Exposure
Figure 24. Calculation input section
Blend Tabs
Formulation
properties
Application
46
10.1. Solvent Fractions table

After solvent selection (see section 9.3) you must define the composition of the blend which needs to
be calculated. The solvent fraction can be entered in the table in Mol, Weight or Volume as the
fraction unit:
Figure 25. Solvent fraction table
On each blend tab the selection of the fraction type is saved. In the data table the output is always
displayed in the fraction type that was last used in a calculation. All graphs are presented in weight
units. If the total of the percentages (or fractions in case of SI units) does not add up to 100, BlendPro
interprets the numbers as ratios and will calculate the exact composition upon calculation.
10.2. Evaporation Conditions

The user can set the following conditions in the Evaporation
Conditions:
Temperature
Humidity
Figure 26. Evaporation Conditions
The asterisk, *, indicates that this temperature has an influence on several temperature-dependent
blend properties. These output properties are also marked by * in both the output data table as well
as in the Reformulation Constraints table.
The value entered for humidity is the relative humidity of the surrounding air. If this value is larger than
zero, a certain amount of water may be taken up by the solvent blend during its evaporation and this
will affect the blends properties (e.g. evaporation time, balance). It will also affect the spray
evaporation rate of water, if present in the blend. Furthermore it is assumed that no water uptake by
the blend can take place during spray.
The value entered for the temperature is the ambient air temperature, which will influence the
evaporation behaviour of the blend and its vapour pressure. Note that it does not influence the
evaporation during spray (the spray temperature can be entered in the application section, see below)
nor the Exposure Model (calculated at 25C).
47
10.3. Formulation properties

The following two formulation properties can be entered: Solids Content and Density.
Figure 27. Formulation Properties input
The value entered for Solids Content influences the VOC and HAP content of a formulation, the
evaporation during spray and the Exposure Model (see the calculation model descriptions in section
11.32 and 11.33).
The formulation density influences the VOC and HAP content of formulations, the evaporation during
spray and the Exposure Model.
Neither the formulation density nor the solids content influence the calculation of any other property of
the solvent blend.
10.4. Water Uptake

The user can activate the Water Uptake area by toggling the switch. The evaporation percentage
at which the water uptake at a relative humidity of 0 to 90% needs to be calculated can be entered.
Note that by toggling the water uptake switch the water uptake plot will also become visible after
calculation. (see section 13.6). The result of this calculation is a plot of the amount of water taken up
at a certain %w of the blend evaporated, at relative humidities ranging from 0% to 90%.
This feature can only be used for the properties calculation mode, not during reformulation.
Note that the water uptake is zero for all relative humidities when the spray model is used at the same
time and the amount evaporated during spray is larger than the amount evaporated at which the water
uptake is desired.
Figure 28. Water Uptake area
10.5. Application
In the Application area you can specify whether the blend properties are calculated for a brush or
spray application.
Figure 29.Application area
48
When the spray application method is selected, the Exposure Model can no longer be used and will be
disabled. The spray option can only be used in the properties calculation mode, not during a
reformulation. A description of the Spray Evaporation Model is given in section 11.32.
10.6. Exposure model

The Exposure model can be toggled only when the spray model is switched off in the application
area. For the Exposure Model the following parameters can be entered:
Figure 30. Exposure Model
Note that the Exposure Model can only be used in the properties calculation mode, not during a
reformulation. A description of the model is given in section 11.33.
10.7. Blend name, Price set and Calculate

In this area the name of the blend can be changed, the Price set can be selected and the calculation
can be started.
Figure 31. Calculate area
You can give the blend any name by typing it in the Blend Name area. The Price set to be used in the
calculation can be selected from a drop-down list. All available Price sets are displayed in this list.
Price sets can be edited, added and deleted in Tools Database Solvents. Whether the prices
are per weight or volume for the selected Price set is indicated between brackets in front of the Price
set name. If all options are set, you can run the calculations by clicking the Calculate button. The
calculation is performed for the selected blend tabs. When more than one blend tab is selected a
multiple-blend calculation is performed (see Chapter 7).
49

models
11.
11. Description of properties and calculation
Description of properties and calculation models
Below the properties as calculated by BlendPro are described and information on the calculation
models is given. A table of all properties and their different units and conversions is given in
APPENDIX 2. The visibility of all properties can be set in Tools
Options
Properties.
11.1. Solubility parameters and three parameter systems

The intermolecular forces in liquids determine several properties, particularly mutual solubility and the
ability of these liquids to dissolve solid materials such as resins or polymers. A solvents solubility
parameter is a value which represents the major intermolecular forces of that solvent. The solubility
parameter was introduced by Hildebrand1,2. He defined the solubility parameter (dHSP) of a liquid as the
3
square root of its cohesive energy density, i.e. the energy required to separate the molecules in 1 cm
of liquid at 25C and hence vaporise it. Thus
HSP =
Where
EV
Equation 1
VM
EV
= energy of vaporisation
VM
= Molar volume
Hildebrands solubility parameter value can be used in calculations to predict a liquids performance as
a solvent. Solvents with similar solubility parameters have similar solvent power. This theory can be
extended to organic liquid and polymer combinations. The higher the Hildebrand solubility parameter,
the higher the solvent power.
Hildebrands concept of the solubility parameter was developed for hydrocarbon solvents, where
dispersion forces are the major intermolecular forces. However, for the more powerful oxygenated
solvents such as alcohols, ketones, esters and glycol ethers, polar forces and hydrogen bonding play
a much more important role.
3,4
Consequently the Hildebrand system was further developed by Crowley, Teague and Lowe who
introduced two additional parameters to accommodate these other vital interactive forces.
Subsequently several three parameter systems have been developed, but the two most widely used
are the Nelson, Hemwall and Edwards system5,6 and the Hansen system. Shell companies use the
Nelson, Hemwall and Edwards system, which originated within Shell Research, because it gives a
better representation of both (i) the fundamentals underlying molecular interactions and (ii) the
practical situation of mixing solvents.
11.1.1.Hildebrand Solubility Parameter (HSP)

This parameter is based on all intermolecular forces including the dispersion forces, also known as
van der Waals Forces or London forces. The term solubility parameter is used to describe these
forces because they are calculated according to Hildebrands original parameter (see equation 1).
Calculation of this parameter for a blend is based on the volume fractions of the components.
11.1.2.Fractional Polarity (FP)

This parameter is based on the polar forces, which are due to interactions between permanent dipoles
relative to the sum of all dipolar interactions (including permanent and induced dipole interactions), or
between dipoles and induced dipoles. Fractional polarity can be calculated from known physical
50

models
constants like the dielectric constant. Calculation of this parameter for a blend is based on the volume
fractions of the components.
11.1.3.Hydrogen Bonding Index (HBI)

This parameter represents the hydrogen bonding forces, which are interactions between hydrogen
atoms attached to electronegative atoms like oxygen and similar atoms of neighbouring molecules.
5
The HBI is obtained from IR measurements on the solvent . Calculation of this parameter for a blend
is based on the volume fractions of the components. A positive value indicates hydrogen-bondaccepting molecules (e.g. ketones), a negative value indicates hydrogen-bond-donating molecules
(e.g. alcohols) and a value of 0 indicates non-hydrogen-bonding molecules.
11.2. Viscosity/Aqueous viscosity

The viscosity of a solvent is a measure of its resistance to flow freely when a force is applied. Note
that the solvent viscosity in the database and the Available Solvent table is an effective viscosity
needed for the calculation of the blend viscosity. This viscosity may differ from the neat viscosity. The
7,8
viscosity model used by BlendPro calculates the dynamic viscosity. When less than 50% water is
present in the blend the viscosity is calculated using the Kendall equation:
log = Vi log i
Equation 2
Where
= dynamic viscosity of the blend
Vi
= volume fraction of component i
= dynamic viscosity of component i
When 50% or more water is present in the blend and the blend contains water miscible solvents the
aqueous viscosity is calculated using a different model, that is based on measured values and
relations.
The viscosity of a solvent has a significant effect upon the viscosity of the formulation or blend in
which that solvent is used. The viscosity of a paint formulation will influence ease of handling, flow,
shelf life, suitability for spraying and the general appearance of the finished coating.
Note that for blends containing more than 30% alcohols, the calculated viscosity may be less reliable.
11.3. Density
The density of the calculated solvent blend is calculated from the volume fractions and the densities of
the individual components. This property describes the mass per unit volume at 25C. It is an intrinsic
property of all matter. Sometimes the specific gravity is quoted, i.e. is the ratio of the density of the
substance to that of water at the stated temperature. At 4C, density is numerically equal to specific
gravity.
11.4. Cost/volume
The price or cost of the blend/volume needs to be added to the database by the user. This can be
done in various price sets, which can be selected in the middle of the main screen. Generation of new
price sets and editing of prices is carried out in Tools
Database
Solvents. See also section 8.6.1.
The user can indicate if the prices entered in the database are per weight or volume. This is done in
Tools
Options
Input. Both properties are calculated however. The price unit is indicated in front of
the price set name in the main screen. In the Solvent Database this indication is given in the status
bar.
51

models
11.5. Cost/weight
Price or cost of the blend/weight. See also 11.4.
11.6. Phase separation

An indication is given whether or not the blend is likely to phase separate, both as such and during
evaporation when the composition of the blend changes. This is done by calculating whether or not it
is energetically more favourable to have one or more than one phase. If phase separation is likely to
occur for a given composition, the corresponding cell in the Data table will be red. The phase
separation calculation is temperature-dependent.
Although accurate for many solvent combinations, the number of phases (1 or more) as predicted by
the incorporated model may not always compare to reality. For instance, it known that the model
predicts a small phase separation range for isopropyl alcohol/water mixtures (48-70 wt.% H2O),
although this system is known to be fully miscible at 25 C and atmospheric pressure. Therefore, the
predicted phase separation indication may help in selection of potential solvents blends but should
always be verified experimentally (see also section 1.1 and 3).
11.7. Evaporation time

The evaporation time is the time needed to evaporate 90 weight % of the solvent blend, according to
ASTM D3539. Note that at every 5% of weight evaporated the composition of the blend is recalculated
9
and hence the evaporation rate changes . This is the main difference with the single step evaporation
time, which does not take into account the compositional change during evaporation and hence is only
based on the initial evaporation rate. The calculation takes into account the relative humidity and the
effect of evaporative cooling of the solvents as they evaporate. This calculation is temperaturedependent and the temperature can be changed in the evaporation conditions box in the middle of the
screen. When the Antoine constants for one of the solvents are not available in the database, the
calculation of the 90% evaporation time is not possible for temperatures other than 25C. This will be
indicated with not calc.. This property is presented in a graph as a function of the weight evaporated
(see section 13.2).
11.8. Single step evaporation time

The single step evaporation time is the time needed to evaporate 90% weight of the blend, according
to ASTM D3539 without taking into account the compositional changes of the blend during
evaporation. The model only uses the evaporation rate of the initial blend composition. This parameter
is used for reformulation purposes only, when the exact 90% evaporation time cannot be used as a
constraint due to the limited performance of the computer used. The model does take into account the
effect of evaporative cooling of the solvents as they evaporate. This calculation is temperaturedependent and the temperature can be changed in the evaporation conditions box in the middle of the
screen. When the Antoine constants for one of the solvents are not available in the database, the
calculation of the single step evaporation time is not possible for temperatures other than 25C. This
will be indicated with not calc. This parameter does not take relative humidity into account.
11.9. Flash point

The flash point is the lowest temperature, corrected to 1013 kPa pressure, at which application of an
ignition source causes the vapour of the specimen to ignite. There is a variety of methods available to
measure the flash point, and the results are strongly dependent on prevailing conditions (such as
geometry of the test apparatus). Different methods are recommended according to the flash point and
viscosity of the sample. Often, safety and labelling regulations determine the method that should be
used. In BLENDPRO the closed-cup method is used. The model is based on an algorithm that
52

models
searches for the temperature at which the sum of the partial pressures of the components divided by
10
their lower flammability limits equals 1 . When the Antoine constants are not in the database for one
of the solvents the calculation of the flash point is not possible. This will be indicated with not calc.
The presence of Antoine constants in the database is indicated in the database using the parameter
flash point flag. (See also section 8.6.1.5).
Note that the flash point values calculated by BlendPro, although accurate, can only be used
as an indication and should always be measured in practice.
11.10.
Evaporation temperature
The evaporation temperature is the temperature at which the blend evaporates due to evaporative
9
cooling in the brush application mode. This calculation is temperature-dependent.
11.11.
Spray evaporation temperature
The spray evaporation temperature is the wet-bulb temperature, or evaporation temperature of the
blend due to evaporative cooling during spray evaporation. This calculation is temperature-dependent.
11.12.
Solid content
This is the solid content in the formulation at the start (user input) and also during evaporation. This
parameter is also presented in a graph as a function of the weight evaporated (see section 13.5). The
change in solid content of the formulation is calculated using the amount of solvent evaporated.
11.13.
Vapour pressure
The vapour pressure is the pressure exerted when a liquid is in equilibrium with its own vapour. A
liquid enclosed in a given space at a given temperature will evaporate until the partial pressure of the
liquid in the gas phase is equal to its vapour pressure at that temperature. The saturated vapour
concentration is the concentration of the vapour in air corresponding with that vapour pressure.
The vapour pressure of a solvent is the fundamental thermodynamic property controlling volatility and
evaporation (emissions). It can be used to calculate other properties such as explosion limits and
saturated vapour concentration. The vapour pressure of the solvent blend is calculated from the
vapour pressures of the blends components, based on the Antoine equations, mole fractions and the
activity coefficients of those components. The Antoine equation is given below (eq 3). This calculation
is temperature-dependent. When the Antoine constants for one of the solvents is not in the database
and the temperature does not equal 25C, calculation of the vapour pressure is not possible. This will
be indicated with not calc.
10
Where
P
A,B,C
T
11.14.
log P = A
B
T +C
Equation 3
= vapour pressure of the solvent

= Antoine constants
= temperature
Blend VOC EU
The VOC content of a blend is calculated according to the EU VOC directive in mass per unit volume.
The directive states that: A volatile Organic Compound (VOC) shall mean any organic compound
having at 293.15 K a vapour pressure of 0.01 kPa or more, or having a corresponding volatility under
particular conditions of use. BlendPro calculates for every component in the blend whether or not it
53

models
should be considered as a VOC, also at temperatures other than 293.15 K. The VOC content of a
blend (EU) is calculated using the following equation:
VOC = blend * xblend ,iV
Equation 4
Where
blend
= density of the solvent blend
xblend ,iV
= weight fraction of VOC component i in the blend
When the Antoine constants for one of the solvents are not in the database the calculation of the VOC
(EU) content of the blend is not possible for temperatures other than 25C. This will be indicated with
not calc.
11.15.
Blend VOC EPA
The VOC content of a blend is calculated according to an Environmental Protection Agency (EPA)
indication in mass per unit volume. For this property there is indication in the database whether or not
a component is a VOC. The calculation is performed using the equation below. If in the future a
solvent becomes VOC exempt you can change this in the database via Tools
Database

Solvents.
VOC = blend * xblend ,iV
Equation 5
11.16.
Blend MIR value
The Blend MIR (Maximum Incremental Reactivity) value is the weight averaged MIR value of a solvent
3
blend expressed as mass per unit volume (kg/ m ) or per unit mass (g/g). Basically this property is a
3
measure of the amount of ozone that theoretically can be formed per m or g of the solvent blend.
Separate MIR values of all solvents can be found in the database via Tools
Database
Solvents.
BlendMIR, kg / m3 = Vsi * MIRsi * si
Equation 6
And
BlendMIR, g / g = ( Vsi * MIRsi * si ) / s
Equation 7
Where
Vsi
= the volume fraction of VOC component i in the blend
MIRsi
= Maximum Incremental Reactivity value of VOC component I in the blend
si
= density of each separate solvent in kg/ m
= density of the solvent blend as calculated by BlendPro in kg/ m
54

models
11.17.
Blend HAP content
The HAP content of the blend is calculated according to an Environmental Protection Agency (EPA)
indication in mass per unit volume. For this property there is an indication in the database whether or
not a component is a HAP. If in the future a solvent is removed from or added to the HAPs list, you
can change this in the database, via Tools
Database
Solvents. The calculation is performed
using the equation below.
HAP = blend * xblend ,iHAP
Equation 8
Where
xblend ,iHAP
11.18.
= weight fraction of HAP component i in the blend
Formulation VOC (EU)
The VOC content of the formulation calculated according to the EU VOC directive in mass per unit
volume. The directive states that: A volatile Organic Compound (VOC) shall mean any organic
compound having at 293.15 K a vapour pressure of 0.01 kPa or more, or having a corresponding
volatility under particular conditions of use. BlendPro calculates for every component in the blend
whether or not it should be considered as a VOC, also at temperatures other than 293.15 K. The VOC
(EU) content of the formulation is calculated using the following equation:
VOC = formulation xiV
Equation 9
Where
formulation
= density of the formulation
xiV
= weight fraction of VOC component i in the formulation
When the Antoine constants for one of the solvents are not in the database, calculation of the VOC
(EU) content of the formulation is not possible for temperatures other than 25C. This will be
indicated with not calc.
This property can be used as a reformulation constraint. However reformulating using this property is
different from reformulating using the other properties because the formulation density (which is
needed as input for the VOC content calculation) changes as the solvent blend changes. For this
reason a new estimated formulation density is calculated by BlendPro, for the new blend, after the
reformulation exercise. This property is added to the data table located in the upper part of the screen.
Note that the estimated formulation density replaces the viscosity property in the data table. For this
reason, before reformulating using a constraint on the VOC content of the formulation, ensure that the
viscosity is switched to visible in Menu Tools Options
Properties.
11.19.
Formulation VOC EPA
The VOC EPA content of the formulation is calculated according to an Environmental Protection
Agency (EPA) indication in mass per unit volume. For this property there is an indication in the
database whether or not a component is a VOC. The calculation is performed using the equation
below. Note that the calculation is different from the EU VOC content calculation in the sense that the
VOC content is now divided by the total volume minus the volume of VOC exempt solvent. If in the
future a solvent becomes VOC exempt, you can change this in the database via Tools
Database

Solvents.
55

models
VOC = formulation
1
i
where
xiV
Equation 10
xiNV
xiNV
= fraction of VOC exempt component i in the formulation
= density of component i
This property can be used as a reformulation constraint. However reformulation using this property is
different from reformulation using the other properties because the formulation density (which is
needed as input for the VOC content calculation) changes as the solvent blend changes. For this
reason a new estimated formulation density is given, together with the current blend, after the
reformulation exercise. This property is added to the data table located in the upper part of the screen.
Note that the estimated formulation density replaces the viscosity property in the data table. For this
reason, before reformulating using a constraint on the VOC content of the formulation, ensure that the
viscosity is switched to visible in Menu Tools Options
Properties.
11.20.
Formulation PWMIR value or OCP
The product weighted MIR value (PWMIR) or Ozone Creation Potential (OCP) are the weight
averaged MIR value of a formulated product, e.g. paint. It is the theoretical amount of ozone in grams
that can be created per litre product (paint). It is calculated as follows:
PWMIR, g / l = ( Vsi * MIRsi * si ) * (1 Wsolids ) Equation 11

i
Where
Vsi
MIRsi
si
= density of each separate solvent in kg/ m
Wsolids
= weight fraction of the solids present in the formulation
11.21.
Formulation RAVOC
The Reactivity Adjusted VOC (RAVOC) is commonly in the US accepted measure for ozone
reactivity. It is the VOC content of a formulation, multiplied by a weight-averaged reactivity that is
measured against a base MIR, i.e. the MIRBC (MIR Base Case).
The MIRBC is the MIR value of a mixture of reactive organic gases, which represents the chemical
composition of the air in 39 urban areas throughout the United States. Currently this base case MIR
value is set to 3.71.
RAVOC , g / l = ( Vsi * MIRsi *(1 Wsolids ) * f ) / MIRBC Equation 12

i
56

models
Where
Vsi
MIRsi
= density of the formulation as entered manually in BlendPro
Wsolids
= weight fraction of the solids present in the formulation
MIRBC = MIR base case, currently set to 3.71
The MIRBC is now (2008) set to 3.71. If in the future the base case is set to an other value,
BlendPro can be updated easily by downloading a small file. Please contact your Shell contact
for BlendPro for this.
11.22.
Formulation VOC EU (weight/weight solids)
The VOC content of the formulation is calculated according to the EU VOC directive in mass per unit
mass solids. The directive states that: A volatile Organic Compound (VOC) shall mean any organic
compound having at 293.15 K a vapour pressure of 0.01 kPa or more, or having a corresponding
volatility under particular conditions of use. BlendPro calculates for every component in the blend
whether or not it should be considered as a VOC, also at temperatures other than 293.15 K. The VOC
(EU) content of the formulation (weight/weight solids) is calculated using the following equation:
x
VOC =
where
iV
Equation 13
= weight fraction solids in formulation
When the Antoine constants for one of the solvents are not in the database calculation of the VOC
(EU) content of the formulation (weight/weight solids) is not possible for temperatures other than 25C.
This will be indicated with not calc..
11.23.
Formulation VOC EPA (weight/weight solids)
The VOC content of the formulation is calculated according to an Environmental Protection Agency
(EPA) indication in mass per unit mass solids. For this property there is an indication in the database
whether or not a component is a VOC. The calculation is performed using the equation below. If a
solvent becomes VOC exempt you can change this in the database via Tools
Database

Solvents.
x
VOC =
11.24.
iV
Equation 14
Formulation HAP content
The HAP content of the formulation calculated according to an Environmental Protection Agency
(EPA) indication in mass per unit volume. For this property there is an indication in the database
whether or not a component is HAP. If in the future a solvent is removed from or added to the HAPs
57

models
list, you can change this in the database via Tools

Database
Solvents. The calculation is
performed using the equation below.
HAP = formulation xiHAP
Equation 15
where
xiHAP
11.25.
= weight fraction HAP component in formulation
Formulation HAP content (weight/weight solids)
The HAP content of the formulation calculated according to an Environmental Protection Agency
(EPA) indication in mass per unit mass solids. For this there is an indication in the database whether
or not a component is a HAP. If in the future a solvent is removed from or added to the HAPs list, you
can change this in the database via Tools
Database
Solvents. The calculation is performed using
the equation below.
x
HAP =
iHAP
Equation 16
58

models
11.26.
Fast active solvent content
The fast active solvent content is the volume percentage of oxygenated solvents in the blend having
an evaporation time less than 120 s.
11.27.
Slow active solvent content
The slow active solvent content is the volume percentage of oxygenated solvents in the blend having
an evaporation time longer than 1700 s.
11.28.
Aromatics content
Aromatics content is the volume percentage of aromatics present in the blend, calculated from the
composition of the blend.
11.29.
Hydrocarbons content
Hydrocarbons content is the volume percentage of hydrocarbons present in the blend, calculated from
the composition of the blend.
11.30.
Ketones content
Ketones content is the volume percentage of ketones present in the blend, calculated from the
11.31.
Esters content
Esters content is the volume percentage of esters present in the blend, calculated from the
11.32.
Glycol Ethers and Ethers content
Glycol ethers or Ethers content is the volume percentage of glycol ethers or ethers present in the
blend, calculated from the composition of the blend.
11.33.
Alcohols /Glycols content
Alcohols/glycols content is the volume percentage of all alcohols present in the blend, including
glycols, calculated from the composition of the blend.
11.34.
Miscellaneous content
Miscellaneous content is the volume percentage of miscellaneous solvents present in the blend,
calculated from the composition of the blend.
59

models
11.35.
Spray evaporation
The spray evaporation model calculates the change in composition and the amount of solvent
evaporated from a particle in a spray cone as it travels from the nozzle of a spray gun to the substrate.
This is calculated in a number of time steps, recalculating the composition at each time step. The
model is based on drop evaporation models that are used to calculate evaporation in spray
11
combustion in furnaces . In the model it is assumed that the solvent evaporates in quasi steady state,
which is a combination of diffusion-and mass-transfer-controlled evaporation. The model takes into
account the temperature of the environment, relative humidity and evaporative cooling of the solvent.
The user can set the spray temperature and, together with the evaporation temperature of the
standard evaporation model, the process of spraying and cure in an oven can be simulated. Also the
spray distance can be set. When spraying is set as the application method the program calculates the
amount of solvent evaporated during spray and the composition after spray, including solid contents.
This composition is then used to calculate the evaporation after spray, using the standard evaporation
model. On the basis of the wet film thickness (user input) the time needed to evaporate 90% of the
solvent can be calculated. Since the wet film thickness is used to calculate the amount of solvent
present at the start of the evaporation process after spraying, the amount of solvent, which
evaporates, when spraying is selected, differs from the amount in a standard evaporation calculation
(ASTM D 3539). For this reason the 90% evaporation time when the spray method is selected cannot
be compared with the evaporation time in case brush is selected.

This spray model has been developed in cooperation with SATA Farbspritz Technik GmbH, one
of the largest spray gun manufacturers in the world.
The model is developed for a High Volume Low
Pressure (HVLP) spray gun, which is a widely used
type.
The Spray model has been validated experimentally by actual spraying of several solvent/resin
solutions followed by determination of the composition after spraying. A typical example of the result
can be seen in the figure below.
60

models
60
Composition (%)
50
At start
Measurement 1
Measurement 2
Model
40
30
20
10
0
MEK
BuAc
Solids
Temperature
Figure 32. Comparison between experimental and predicted compositional changes for a MEK/nBuAc mixture (1:1), at a
spray distance of 15 cm.
11.36.
Exposure model
12,
Based on work of the Environmental Protection Agency (EPA) the exposure model describes the
evaporation of solvent from a paint film, giving a concentration profile in a room, that changes with
time. The model has been validated using the results of a study performed by the British Research
7
Establishment . Although the results produced by the model are good the results should be seen as
purely indicative.
The model describes the evaporation of solvent from a paint film, applied on a wall using a brush, and
assumes the solvent is readily available at the film surface. This means diffusion of the solvent
through the paint layer as a rate-determining-step is not taken into account. Above the film a static
vapour layer is assumed through which the solvent needs to pass. In the model this is accounted for
by using the mass transfer coefficient as calculated from the diffusion coefficient of the solvent
molecules through air and the thickness of the static layer. It is assumed that the solvent is
immediately spread out evenly through the room. Furthermore, the model takes into account the air
exchange rate, which is the number of times per hour that the air in the room is refreshed. A value of
-1
-1
0.2 hr represents a room with doors and windows closed, 2-3 hr for a room with low ventilation and
-1
13
4-7 hr for a room with moderate ventilation .
When the exposure model is switched on, the spray evaporation model is disabled. Due to the fact
that these model calculations reflect a standard room and have underlying assumptions such as the
immediate even spreading of the vapour through the room, the results from this model are purely
indicative.
Note that the concentration profiles calculated by BlendPro can only be used as an indication
and should always be measured in practice.
61

models
11.37.
Temperature dependency
A number of properties are temperature-dependent and can be recognised in the program by an *

behind the property name. The temperature range which can be entered is from 0 to 150C. The spray
temperature can also be entered. This range is from 0 to 50C. The properties which are temperaturedependent are:
evaporation time
single step evaporation time
evaporation temperature
spray evaporation temperature (dependent on spray temperature)
vapour pressure
Blend VOC EU
Formulation VOC EU
Formulation VOC EU (weight/weight solid)
Change in composition due to (spray) evaporation
In addition note that:

The solubility maps (which are temperature dependent) are constructed at 25C and can only be
accessed when the temperature is in the range 2510 C (298 10 K) (see section 14.4)
The exposure model is not temperature-dependent and operates at a temperature of 25C.
However it is not disabled when the temperature does not equal 25C in order to give you an
indication of the exposure.
11.38.
Dependency on relative humidity
The relative humidity influences:

The evaporation model and compositional changes during evaporation
The spray evaporation model and compositional changes during spray evaporation only when
water is present in the blend.
The water uptake by hygroscopic blends during evaporation
In addition note that the exposure model is not influenced by the relative humidity.
62
12.
12. Reformulation mode
Reformulation mode
If an existing blend needs to be reformulated for e.g. technical, logistic or legal reasons, BlendPro can
save days of experimental effort per blend by generating alternative formulations.
Based on technical criteria (constraints) and, if desired, the price of the solvents BlendPro suggests an
alternative blend. See also section 8.3 in which a reformulation procedure is described to achieve
maximum benefit from this feature.
12.1. Blend name, Price set and Reformulate

By toggling the Reformulation box in the Calculate area, you can select the Reformulation mode:
Figure 33. Calculate area in reformulation mode
The blend section is changed in order to enter the constraints. The following items change, as
compared to the properties calculation mode:
Exposure, Application and Water Uptake areas are replaced by the Reformulation Constraints table
The blend section is blue
For the blend tab is blue
Solvent fraction inputs are disabled and blue
The Calculate button is replaced by the Reformulate button
Figure 34. Reformulation input section

The definition of the blend and the reformulation constraints is done in the lower part of the screen,
which contains the following areas when BlendPro is in the reformulation mode:
Solvent Fractions
Blend Name, Price Set and Reformulate
63
Evaporation Conditions
Formulation Properties
Reformulation Constraints
Blend Tabs
If none is selected in the price set box the reformulation will take place without price optimisation. If a
price set is selected the reformulation is carried out using the prices in the indicated price set and a
lowest cost blend will be suggested within specified technical constraints.
12.2. Solvent Fractions

In Reformulation mode the Solvent Fractions fields are read-only. This table lists the selected
solvents from which the program can choose. The selection is done in the same way as for a
calculation in the property mode. Solvents are selected from the Available Solvents table by clicking
on the row of a particular solvent. More than one solvent can be selected at the same time by using
the Shift or Ctrl button. Also, dragging the mouse pointer through the table while holding the mouse
button can be used for selecting more than one solvent. After the selection is made the solvents are
added to the blend by choosing Add solvent to blend in Menu Solvents Add solvent to blend
or by clicking the arrow-down button in the toolbar
. To delete a solvent from the blend, first select
it in the fractions table, then choose Delete solvent from blend in Menu Solvents Delete
solvent from blend or by click the arrow-up button in the toolbar
.
Note that it is not possible to remove a solvent from the list that is also present in the original blend as
this would make the data in the Initial column incomplete. Instead of deleting a solvent from the list
one can simply set a constraint on the solvent fraction: Equal 0. The solvent fractions are calculated
during a reformulation and written to the table after that. See also section 7.3.
Figure 35. Solvent Fractions table in Reformulation mode
12.3. Evaporation Conditions

Note that you can still change the evaporation conditions in reformulation mode. Changing the
temperature allows for reformulation at different temperatures. This affects the evaporation time
properties and the VOC EU properties due to the vapour pressure limit in the VOC directive. Also
changing the relative humidity will affect the evaporation properties, except for the single-step
evaporation time.
12.4. Formulation properties

You can change the formulation properties solids content and formulation density. These properties
will influence the evaporation behaviour, phase separation, vapour pressure and the VOC and HAP
contents of formulations. For reformulation on VOC and HAP contents of formulations see section 7.4.
64
12.5. Reformulation Constraints table

In this table the technical constraints are set. This can be done on blend properties, the blend
composition and on categories of solvents. The table has six columns
Blend properties
Initial
Result
Constraint
Val1
Val2
The first column includes all properties that will be calculated for the suggested blend. The visibility
and order of the properties can be changed in Tools Options Properties. The Initial
column contains the result of the properties calculation before the blend tab was switched to the
reformulation mode. The data in this column can be used as a reference and will not change during
the reformulation procedure. The results of the reformulation calculation are displayed in the Result
column and can thus be compared to the initial values. The output of the reformulation is also shown
in the top half of the screen in the output section.
The constraints can be set using the Constraint, Val1 and Val2 columns. Note that properties for
which constraints can be set have white input fields. The other fields are blue and disabled. The
constraint type, which can be either Equal, Larger, Smaller or Between can be selected using the
list box in the Constraint column. The constraint value for Equal, Smaller and Larger constraints
can be entered in the Val1 column. For Between constraints, the lower constraint is entered in the
Val1 column, the upper constraint in the Val2 column.
To delete a constraint, the empty line at the top in the list box must be selected. This is also the default
constraint type.
Figure 36. Reformulation Constraints table
65
13.
13. Properties Output Section
Properties Output Section
The output of the calculations of the blend properties, also during evaporation, is presented in the
upper part of the screen. This section is automatically activated after a calculation, and the data table
will be shown. If a graph was selected before the calculation, this graph will remain visible after the
calculation. The output data can either be viewed in graphical or tabular form. Both the table and the
graph can be enlarged by pulling the horizontal splitter down. See also Chapter 12 for additional
information on the properties presented in the output section. An example of the output section after
calculation can be viewed in the file Example1.bpr, which can be found in the Examples folder of the
program.
The output consists of several tabs, which are described in the individual paragraphs of this chapter:
Data
Evaporation/Evaporation (incl. spray)
Solvent Balance
Solubility Maps
Water Uptake
Exposure Model
13.1. Data table

The data table lists the blend properties before and during evaporation. The data is displayed at 10%
intervals ranging from 0% up to 90%. The picture below shows the data tab after a calculation:
Figure 37. Data tab after a calculation
If more than one blend tab is selected before a calculation, the Data tab will contain a table with the
output of the selected blends. The first table will always contain the data of the Current Blend, which
66
is the first blend tab selected. The Current Blend is indicated in bold and a brighter yellow/blue
colour, depending on the mode the tab is in.
If the spray model is switched on an extra column is inserted in the data output table separated by a
thick line. This line indicates the end of the spray evaporation and the start of the film evaporation.
Assume that 34% of a blend has evaporated during spraying the new column will be added at the
evaporation percentage after spraying i.e. 34%. The evaporation columns between 0% and 34% are
then not shown. The end-of -spray column is followed by the normal evaporation columns at 40%,
50%, etc. The data in the end-of-spray column are the properties of the blend after spraying, which
are the starting properties for the film evaporation calculations afterwards.
13.2. Evaporation graph

The evaporation graph shows the evaporation time of the blend at the different evaporation
percentages. When the spray option is active, the graph will include spray evaporation data and at the
same time the graph name will change from Evaporation to Evaporation (incl.spray). Data of
multiple-blends can be plotted in this graph by selecting the appropriate blend tabs and pressing the
Calculate button. The calculation is required to renew the data in the plot. When the current blend
includes a spray evaporation calculation, the plot will only show other blends that include a spray
evaporation calculation.
Figure 38. Evaporation graph
The graph can be copied to the Windows clipboard and thus to other applications using the Ctrl+C
command or by selecting the Copy command in the menu. The values of the data points in the graph
can be made visible by placing the cursor on them.
13.3. Solvent Balance graph

This graph shows the solvent balance during the evaporation. Due to the fact that the solvents in a
blend all evaporate at different rates, the composition of the blend will constantly change. Each
component is plotted as a separate line in the plot. Note that only data for one blend can be plotted in
this graph. The graph can be copied to the Windows clipboard and thus to other applications using the
Ctrl+C command or by selecting the Copy command in the menu. The values of the data points in the
graph can be made visible by placing the cursor on them.
67
Figure 39. Solvent Balance graph
13.4. Solubility Maps

The three parameters of the Nelson, Hemwall and Edwards system can be used to construct a
diagram, which can be used to identify the solubility and non-solubility areas for a particular polymer or
resin. Just as a map of the countryside can use contour lines to represent the hills and valleys in the
landscape, these diagrams give a two-dimensional representation of the solubility behaviour of a
polymer, resin or other solute. They are accordingly known as solubility maps.
These maps form the practical link between the solubility parameters and interactions between
solvents and a solute, such as a resin. They provide a valuable aid to design the right solvent system,
and allow the suitability of a solvent system to be calculated in a logical way without the use of
sophisticated equipment. They can help upgrade the effectiveness of solvent systems in terms of
performance, cost, the environment, health and safety.
Resin solubility maps are constructed in the following manner. When a resin is dissolved in a true
solvent and the solution is titrated with a non-solvent, there comes a point at which the solute just
starts to precipitate. In most cases this end point is sharply defined and the solution takes on a definite
turbidity or cloudiness. The composition of the solvent blend at this point is just able to dissolve the
solute: its solubility parameters therefore indicate the absolute minimum acceptable solvent power at
this point. Performing this titration and calculation with a variety of solvents and non-solvents allows
you to accurately define the limits of the solubility of the solute. As solubility is a function of
temperature the titrations should be carried out in a thermostatically-controlled environment.
Consequently, as the maps are temperature dependant, the solubility maps are only available in the
range 25 10 C (298 10 K).
The Solubility Maps graph combines resin solubility with the change in solubility power of the blend
during evaporation. The non-solvent and true-solvent lines are plotted for the resin together with the
HSP and HBI plot of the blend during the evaporation. In this way, the resin solvency can be analysed,
also during evaporation.
The resin used in the plot can be selected from a list in a table presented on the bottom right of the
screen. This plot is shown as soon as the Solubility Maps graph is selected. Each time a new resin is
selected, the graph is redrawn with the new data.
68
The graph can be copied to other applications using the Ctrl+C command or by selecting the Copy
command in the menu. The values of the data points in the graph can be made visible by placing the
cursor on them.
Figure 40. Solubility Map
When more than one blend has been selected before the calculation the change in solubility power of
the solvent blends is plotted for all selected blends. The start of the evaporation is indicated with a
different marker.
13.5. Solids graph

The solids graph shows the solids percentage in a formulation during the evaporation. From this graph
one can determine the amount solids present at each stage of the evaporation. The graph can be
copied to other applications using the Ctrl+C command or by selecting the Copy command in the
menu. The values of the data points in the graph can be made visible by placing the cursor on them.
69
Figure 41. Solids graph
This plot can also be used for displaying the solids content of multiple blends by selecting the blend
tabs and performing the calculation, followed by selecting the plot again. The data of the selected
blends is then shown in one plot.
13.6. Water uptake graph

This plot is visible in the properties mode only when the Water Uptake setting is switched on (see
section 11.4). The water uptake is calculated at a desired percentage of evaporation for a series of
relative humidities. The weight percentage of water in the blend is plotted against the relative humidity.
The Water Uptake graph is plotted as a single line. When more than one blend is selected the water
uptake of all selected blends is plotted.
Figure 42. Water Uptake graph
The graph can be copied to other applications using the ctrl+C command or by selecting the Copy
command in the menu. The values of the data points in the graph can be made visible by placing the
cursor on them.
70
13.7. Exposure Model graph

This graph is only visible when the Exposure model is switched on: see section 10.6. The graph
indicates the ambient solvent vapour concentration for the various components in the formulation. A
short description of the model is given in section 11.33. The graph can be copied to other applications
using the Ctrl+C command or by selecting the Copy command in the menu. The values of the data
points in the graph can be made visible by placing the cursor on them.
Figure 43. Exposure Model graph
13.8. Impact of the Spray model

The spray model, as selected in the Application area in the blend section, has an effect on the
representation of the output of the calculations.
When the formulation/blend is applied by spraying, a certain percentage of the blend will evaporate
during spray. After spraying, a standard evaporation calculation is done. E.g. if the percentage
evaporated after spraying is 34%, this point will be plotted in the graphs with a special marker. The
next marked points plotted are 40%, 50% etc. Note that no points are plotted, between 0% and the
end of the spraying process.
71
Figure 44. Plot with spray model on
The spray model also changes the Properties Data table in a similar way. A column is inserted at the
evaporation percentage after spraying, e.g. at 26%. The thick borderline line of that column indicates
the end of spray. The columns between 0% and 26% are then not shown. The new column is followed
by the normal columns at 40%, 50%, etc. The inserted column will contain the properties of the blend
immediately after spraying:
Figure 45. Properties data table with spray model
72
14.
References
1. Hildebrand, J.H. and Scott, R.L. , Regular Solutions, Prentice Hall, Englewood Cliff, N.J., 1962
rd
2. Hildebrand, J.H. and Scott, R.L., The solubility of Non-Electrolytes, 3 Edition, Reinhold Publishing
Corp., New York, 1950.
3. Crowley, J.D., Teague and Lowe J.W., J. Paint Technol., 38, 269, (1966)
4. Crowley, J.D., Teague and Lowe J.W., J. Paint Technol., 39, 19, (1967)
5. Nelson, Hemwall and Edwards, J. Paint Technol., 42, No 550, 636, (1970)
6. Hansen, C.M., J Paint Tech., 39, No 511, 505 (1967).
7. Rocklin, A.L. and Edwards G.D., J. Coatings Technol., 48, No 620, 68, (1976)
8. Rocklin, A.L. and Barnes, J.A., J. Coatings Technol., 52, No 665, 23 (1980)
9. Rocklin, A.L. and Bonner, D.C., J Coatings Tech., 52, No 670, 27, (1980)
10.Gmehling, J. and Rasmussen, P., Ind. Eng. Chem. Fundam., 21, 2, (1982)
11.Lefebvre, A.H., Atomization and Sprays, Hemisphere Publishing Corporation, New York, 1989
12.Guo, Z., Sparks L.E., Tichenor B.A. and Chang, J.C.S., Atmospheric Environment, 32, No 2, 231,
(1998)
13.Miller, E.R., Dearling, T.B. and Boxall, J., Interior Painting of trim with solvent-borne paints, BRE
Information Paper (1995)
73
74
15.
Index
database screens ..............................................................14
delete ...............................................................................31
Delete solvent............................................................45, 64
density .............................................................................51
dependency on relative humidity.....................................62
dynamic viscosity............................................................51
9
90% evaporation time......................................................52
Add a cost set .................................................................25

Add a resin.....................................................................26
Add solvent ..................................................19, 31, 45, 64
Add Solvent...................................... 24, 25, 26, 34, 35, 38
alcohols content...............................................................59
aligning windows ............................................................42
application method........................................................18
Application method .........................................................48
aqueous viscosity ............................................................51
aromatics content ............................................................59
available solvents table....................................................16
Available Solvents table ................................................44
Edit .....................................................................30, 34, 38

Equal constraint...............................................................65
esters content ...................................................................59
evaporation conditions ....................................................64
Evaporation Conditions ................................................47
evaporation graph............................................................67
evaporation temperature ..................................................53
evaporation time ..............................................................52
exit...................................................................................30
exposure model ........................................................18, 61
Exposure model.........................................................49, 71
Exposure model graph.....................................................71
Between constraint ..........................................................65

Blend HAP content..........................................................55
Blend menu options.........................................................31
Blend MIR value .............................................................54
Blend Name.....................................................................49
blend tab..........................................................................13
Blend VOC EPA .............................................................54
blend VOC EU ................................................................54
brush................................................................................48
Fast active solvent content...............................................59

File ..................................................................................27
File Open.........................................................................28
File Save..........................................................................28
flash point....................................................................9, 52
flash point flag.................................................................36
formulation ......................................................................57
Formulation HAP content................................................57
Formulation HAP content (weight/weight solids) ...........58
formulation properties .....................................................48
Formulation PWMIR.......................................................56
formulation VOC constraint ............................................20
formulation VOC EPA ....................................................55
formulation VOC EPA (weight/weight solids)................57
formulation VOC EU ......................................................55
fraction table....................................................................47
Fractional polarity ...........................................................50
Fractions..........................................................................64
C
Calculate ..................................................................18, 49
Category ..........................................................................16
cgs ...................................................................................41
Close ...............................................................................28
compare...........................................................................21
constraint values............................................................20
Constraints table........................................................63, 65
content of a property column...........................................45
conventions .......................................................................8
conversion factors ...........................................................80
copy.....................................................................30, 34, 38
Copy ...............................................................................31
Cost .................................................................................51
Cost per unit volume .......................................................51
Cost per unit weight ........................................................52
cut..................................................................30, 31, 34, 38
G
glycol ethers/ethers content .............................................59
H
HAP...........................................................................55, 58
HBI..................................................................................51
Help ..........................................................................35, 38
helpfile ................................................................35, 38, 43
Hildebrand.......................................................................50
Hildebrand Solubility Parameter .....................................50
D
data table .............................................................16, 66, 72
database...........................................................................32
75
HSP .................................................................................50
hydrocarbons content ......................................................59
hydrogen bonding index..................................................51
hygroscopic .....................................................................62
price per unit volume.......................................................41

Price per unit volume ......................................................51
price per unit weight........................................................41
Price per unit weight........................................................52
Price set .....................................................................36, 49
Print....................................................................18, 20, 28
print all ............................................................................28
print dialog ......................................................................28
print preview .......................................................29, 34, 37
print selection ..................................................................28
print setup............................................................30, 34, 37
product weighted MIR value ...........................................56
properties.............................................................35, 45, 50
Properties.........................................................................39
Properties of solvents ......................................................80
property calculation mode ...............................................13
I
Impact of the spray model ...............................................71
Important...........................................................................8
Initial ...............................................................................65
Input ................................................................................39
input section ....................................................................46
installation procedure ......................................................11
K
ketones content................................................................59
R
L
RAVOC...........................................................................56
Reactivity Adjusted VOC................................................56
recently used BLENDPRO files ......................................30
Reformulate button ........................................................63
reformulation.............................................................19, 20
reformulation constraint type.......................................19
reformulation constraints table ........................................16
Reformulation Constraints table......................................65
reformulation mode .........................................................13
relative humidity .......................................................62, 70
Remove a cost Set ....................................................25, 26
Remove solvent ..............................................................32
resin database ..................................................................36
Resin identification........................................................41
Resin solubility maps ......................................................68
results .......................................................................18, 20
Larger constraint .............................................................65

License key .....................................................................12
License manager..............................................................12
License Request ..............................................................12
limitations..........................................................................9
lservrc..............................................................................12
M
main screen .....................................................................13
marketed by Shell............................................................44
Maximum Incremental Reactivity...................................54
menu................................................................................27
MIR values ......................................................................54
MIRBC............................................................................56
miscellaneous solvents content........................................59
multiple blend option ......................................................21
S
SATA Farbspritz Technik GmbH....................................60
Save...........................................................................18, 20
Save As ...........................................................................28
Select solvents ................................................................17
settings ............................................................................32
Setup................................................................................11
Shell Name ......................................................................40
Shell Name & User Name ...............................................40
SI .....................................................................................41
single step evaporation time ............................................52
Slow active solvent content .............................................59
Smaller constraint............................................................65
solid content ....................................................................53
solids graph .....................................................................69
solubility map......................................................10, 62, 68
solubility parameter.........................................................50
solubility parameters .......................................................68
solvent balance graph ......................................................67
solvent database...............................................................32
Solvent Fractions.............................................................64
Solvent identification.....................................................40
specific gravity ................................................................51
splitter..............................................................................13
N
new blend ........................................................................31
new features ....................................................................10
new file............................................................................27
not calc .................................................... 52, 53, 54, 55, 57
Num/Caps Lock keys ......................................................30
Number of parameters..................................................41
O
OCP.................................................................................56
options.............................................................................32
Options ............................................................................39
order of properties ...........................................................42
output of the blend properties..........................................66
P
paste ..............................................................30, 31, 34, 38
phase separation ..............................................................52
Price ................................................................................51
76
spray................................................................................48
spray evaporation model .................................................60
spray evaporation temperature ........................................53
spray model .....................................................................71
spraying...........................................................................48
status bar .........................................................................30
T
temperature dependency..................................................62
U
UNIFAC data ..................................................................36
Units ...............................................................................41
units of measure ..............................................................80
units of measure set .........................................................32
USA.................................................................................41
user names.................................................................16, 40
using a formulation VOC constraint................................20
V
Val1.................................................................................65
Val2.................................................................................65
vapour pressure ...............................................................53
viscosity ..........................................................................51
visibility of the properties................................................42
VOC ..........................................................................54, 55
W
water uptake ..................................................................18
Water Uptake ................................................................48
water uptake graph ..........................................................70
Windows 2000 ..........................................................10, 11
Windows 95 ..............................................................10, 11
Windows 98 ..............................................................10, 11
Windows NT ...................................................................10
77
APPENDIX 1. Menu
Menu
File
items
Sub Menu
Shortcut
Description/Action
New
Ctrl-N
Creates a new BlendDocument.
Open
Ctrl-O
Calls the standard Window File Open

dialogue, creates a new BlendDocument
Save
Ctrl-S
The current Blend definition is saved.

When a newly created BlendDocument is
saved, the Windows Save As dialogue is
called first.
Save As
The current Blend definition is saved

under a different name. Therefore the
Windows Save As dialogue is opened.
Close
Closes the BlendDocument. When a

newly created BlendDocument is saved,
the Windows Save As dialogue is called
first.
Print
Edit
SubSub
Menu
Ctrl-P
Start Main Print dialogue
Print Preview
Start Print Preview dialogue
Print Setup
Start the standard Windows print setup

dialogue
Recent File
The clicked file is opened, identical to the

File -> Open menu selection.
Exit
Exit the application. Unsaved data is

saved after acknowledgement by the
user.
Cut Text
Ctrl-X
Copy the selected text to the clipboard

and remove the selected text.
Copy Text
Ctrl-C
Copy the selected text to the clipboard.
Paste Text
Ctrl-V
Copy the contents of the clipboard to the

current location.
View
Status Bar
Toggle visibility of the status bar.
Blends
New
Add a new blend

BlendDocument
Delete
Remove the selected blends from the

current document
Cut Blend
Copy the selected blends to the clipboard

and remove the blends
Copy Blend
Copy the selected blends to the clipboard
Paste Blend
Paste the blends at the clipboard into the

current document.
78
to
the
current
Tools
Database
Solvents
Menu
Sub Menu
SubSub
Menu
Start the Solvent Database dialogue

Shortcut
Resins
Help
Description/Action
Start the Resin Database dialogue
Options
Start the Options dialogue
Cascade
Standard window functionality
Tile Horizontally
Tile Vertically
(Open windows)
Set focus to the selected BlendDocument

window
Help Topics
Show the help contents, index and find

dialogues
About BlendPro
Start the About dialogue
79
APPENDIX 2. Properties and Conversion Factors

Properties (database and calculated properties) of solvents and solvent blends, including conversion factors between different units of measure.
cgs = centimeters/grams/seconds,
Property
User name
Category
Mw
Density
Boiling Point
Flash point
Viscosity
Heat Capacity
Heat of Combustion
Heat of Vaporization
ANTOINE Constant A
ANTOINE Constant B
ANTOINE Constant C
Min temp of ANTOINES
Max temp of ANTOINES
Pvap at 25C
Flash Point Flag
90% Evap
Actual Evap Temp
HSP
Frac. Pol.
HBI
Property
SI = Standard International,
Explanation
User defined name
Solvent category
Molecular weight
Density at 25C
Boiling point
Flash point (Closed cup)
Viscosity for non-aqueous
blends at 25C
Heat capacity
Heat of combustion
Heat of vaporization
Antoine constant A
Antoine constant B
Antoine constant C
Min temp of ANTOINES
Max temp of ANTOINES
Vapor pressure at 25C
Flash point flag (0=calc not
allowed; 1=calc allowed)
90% evaporation time
Actual evaporation
temperature of solvent
Hildebrand solubility
parameter
Fractional polarity
Hydrogen bonding index
Explanation
USA = commonly used units in the USA
cgs unit
g/mol
3
g/cm
C
C
mPa.s
SI-->cgs
*1
*1
*1
* 0.001
-273.15
-273.15
*1
SI unit
kg/kmol
3
kg/m
K
K
mPa.s
SI-->USA
*1
*1
*1
* 1000
(K-273.15)*5/9 + 32
(K-273.15)*5/9 + 32
*1
USA unit
g/mol
3
g/m
F
F
cP
kJ/kg/C
kJ/kg
kJ/kg
C,mbar
C,mbar
C,mbar
C
C
mbar
-
*1
*1
*1
-2
*1
-273.15
-273.15
-273.15
* 1 / 100
kJ/kg/K
kJ/kg
kJ/kg
K,Pa
K,Pa
K,Pa
K
K
Pa
-
* 4186.8
* 0.45359237 / 1.055056
* 0.45359237 / 1.055056
-2.1249
*1
-273.15
(K-273.15)*5/9 + 32
(K-273.15)*5/9 + 32
* 1 / 133.3224
Btu/lb/F
Btu/lb
Btu/lb
C,mmHg
C,mmHg
C,mmHg
F
F
mmHg
-
s
C
*1
-273.15
s
K
*1
(K-273.15)*5/9 + 32
s
F
(cal/cm )^1/2
* (1 / 4.1868)^0.5
(MPa)^1/2
* (1 / 4.1868)^0.5
(cal/cm )^1/2
cgs unit
*1
*1
SI-->cgs
SI unit
*1
*1
SI-->USA
USA unit
80

Aromatics
Fast Active
Slow Active
VOC EPA
HAP
Evap t slope
Price sets
Price sets
Cpvap
Kvap
Spray evaporation
temperature
Solids
Blend VOC EU
Blend VOC EPA

3
Blend MIR, kg/m

Blend MIR, g/g
Blend HAP content

Form VOC EU
Form VOC EPA
Total aromatic content

Fact active solvent content
Slow active solvent content
VOC EPA (yes/no)
HAP content
Slope indicating temp
dependency of evaporation
Cost of solvent per unit
weight
Cost of solvent per unit
volume
Heat capacity of the solvent
vapor
Thermal conductivity of the
solvent vapor
Actual evaporation
temperature during spray
(wet bulb temperature)
Solid content of the
formulation during spray
VOC content of the blend
according to the EU VOC
directive
VOC content of the blend
according to the EPA
Maximum Incremental
Reactivity of the blend
Maximum Incremental
Reactivity of the blend
HAP content of the blend
according to the EPA
VOC content of the
formulation according to the
EU VOC directive
VOC content of the
EPA
%v
%v
%v
%w
-
* 100
* 100
* 100
* 100
* 100
* 100
* 100
*1
Vol. frac.
Vol. frac.
Vol. frac.
Weight fr.
-
* 100
*1
%v
%v
%v
%w
-
price/kg
*1
price/kg
* 0.45359237
price/lb
price/
*1
price/l
* 0.2641721
price/gal
kJ/kg/C
*1
kJ/kg/K
* 4186.8
Btu/lb/F
kJ/m/s/C
*1
kJ/m/s/K
* 1730.735015
Btu/ft/h/F
-273.15
(K-273.15)*5/9 + 32
%w
* 100
Weight fr.
* 100
%w
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/g
*1
kg/kg
*1
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
81
Property
Form VOC EU
(weight/weight)
Form VOC EPA
(weight/weight)
Form PWMIR, OCP
Form RAVOC
Form HAP content
Form HAP content

(weight/weight)
Explanation
VOC content of the
EU VOC directive
VOC content of the
EPA
Product Weighted Maximum
Incremental Reactivity
Reactivity Adjusted VOC
content
HAP content of the
EPA
HAP content of the
EPA
cgs unit
g/g
SI-->cgs
*1
SI unit
kg/kg
SI-->USA
*1
USA unit
lb/lb
g/g
*1
kg/kg
*1
lb/lb
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/g
*1
kg/kg
*1
lb/lb
82
APPENDIX 3. Resins in BlendPro 5.0
Resin name
Manufacturer
NeoCryl B 736
Paraloid B 44
Plioway EC1
Zeneca
Rohm and Haas
Goodyear Tire and Rubber Co.,
AKRON, OHIO,USA
Macrynal VSM 2570
Hoechst
Nitrocellulose (Walsroder) E330 Wolff Walsrode AG
Plioway Ultra
AKRON, OHIO,USA
Pliolite AC 80
AKRON, OHIO,USA
Lumitol H136
BASF AG
Uralac AD 10
Uralac AD 46
Setal 270 WS-70
Setal 16 LV WS-70
Synolac 6094 WP 85
Synolac 6095 WP 85
Uralac AD 14 W-75
Uralac AH 99
Uralac XP 2670 AH
Uralac ZW 3782 AH
Synthalat HS80
Vialkyd 6070
Uralac AD 95 V-75
Uralac AH 263
Uralac A24 271
Lioptal 549
Setal 196 XX-65
Uralac AM 360 X-75
Setal 84 XX-70
Uralac AK 424
Vialkyd VAF 6071 tix
Urathix AT 421 Q-95
Cymel 303
Resimene 747
Euredur 115
Dynomin UM-15
25% Cardura E10 acrylic resin
45% Cardura E10 acrylic resin
CAB-381-0.5
CA-398-30
Resin type
Acrylic
Acrylic
Acrylic
Acrylic
Acrylic
Acrylic
Acrylic and styrene copolymer
Acrylic polyol and styrene

copolymer
DSM
Alkyd (Long oil)
DSM
Alkyd (Long oil)
AKZO NOBEL
Alkyd (Long oil)
AKZO NOBEL
Alkyd (Long oil)
Cray Valley Ltd
Alkyd (Long oil)
Cray Valley Ltd
Alkyd (Long oil)
DSM
Alkyd (Long oil)
DSM
Alkyd (Long oil)
DSM
Alkyd (Long oil)
DSM
Alkyd (Long oil)
Synthopol
Alkyd (Long oil)
Hoechst
Alkyd (Long oil)
DSM
Alkyd (Long oil)
DSM
Alkyd (Long oil)
DSM
Alkyd (Long oil, silicon modified)
Synthopol
Alkyd (Medium oil)
AKZO NOBEL
Alkyd (Medium oil)
DSM
Alkyd (Phenolic modified)
AKZO NOBEL
Alkyd (Short oil)
DSM
Alkyd (Short oil)
Hoechst
Alkyd (Thixotropic)
DSM
Alkyd (Thixotropic)
Dyno-Cytec
Amino (Melamine)
Monsanto
Amino (Melamine)
Witco
Amino (Polyamidoamine)
Dyno-Cytec
Amino (Urea)
CARDURA CM 4.1.1; RESOLUTION Cardura modified OH functional
Perf. Products
acrylic resin
CARDURA CM 4.1.1; RESOLUTION Cardura modified OH functional
Perf. Products
acrylic resin
Eastman Chemical Company
Cellulosic (Acetate butyrate)
Eastman Chemical Company
Cellulosic (Acetate)
83
Walsroder Nitrocellulose E400

Epikote 1001
Epikote 1007
Epikote 1009
Hercures A 130
Bakelite-Harz 0751 LA
Bakelite-Harz 9954 LB
Uravar FN 5
Uravar FN 6
Desmophen 1100
Setal 1702 XX-75
NeoRez U-314
Desmodur BL 1100
Estane 5755
Estane 5778
Desmodur L75
Desmodur N100
Pliolite SE 5
Laroflex MP25
Laroflex MP45
Mowilith 20
Vinnapas B5
Butvar B-98
Mowital B 30 H
Pioloform BN 18
Lutonal M 40
Wolff Walsrode AG
RESOLUTION Performance
Products
Products
Products
Hercules International Ltd
Bakelite AG
Bakelite AG
DSM
DSM
BAYER AG
AKZO NOBEL
Zeneca
BAYER AG
BF Goodrich
BF Goodrich
BAYER AG
BAYER AG
AKRON, OHIO,USA
BASF AG
BASF AG
Hoechst
Wacker Polymer Systems
Monsanto
Hoechst
Wacker Polymer Systems
BASF AG
84
Cellulosic (Nitrate)
Epoxy
Epoxy
Epoxy
Hydrocarbon (Unsaturated)
Phenolic
Phenolic
Phenolic (Novolake)
Phenolic (Resol)
Polyester
Polyester
Polyurethane
Polyurethane
Polyurethane
Polyurethane
Polyurethane
Polyurethane
Styrene and butadiene copolymer
Vinyl Chloride
Vinyl Chloride
Vinylacetate
Vinylacetate
Vinylbutyral
Vinylbutyral
Vinylbutyral
Vinylether
85
APPENDIX 4. UNIFAC groups

Overview of UNIFAC groups in BlendPro 5.0.
Group Group
number name
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
CH3
CH2
CH
C
CH2=CH
CH=CH
CH2=C
CH=C
C=C
ACH
AC
ACCH3
ACCH2
ACCH
OH
CH3OH
H2O
ACOH
CH3CO
CH2CO
CHO
CH3COO
CH2COO
HCOO
CH3O
CH2O
CHO
THF
CH3NH2
CH2NH2
CHNH2
CH3NH
CH2NH
CHNH
CH3N
CH2N
ACNH2
C5H5N
C5H4N
C5H3N
CH3CN
CH2CN
COOH
HCOOH
CH2Cl
CHCl
CCl
CH2Cl2
CHCl2
Main group Example of group assignment

name
CH2
CH2
CH2
CH2
C=C
C=C
C=C
C=C
C=C
ACH
ACH
ACCH2
ACCH2
ACCH2
OH
CH3OH
H2O
ACOH
CH2CO
CH2CO
CHO
CCOO
CCOO
HCOO
CH2O
CH2O
CH2O
CH2O
CNH2
CNH2
CNH2
CNH
CNH
CNH
(C)3N
(C)3N
ACNH2
Pyridine
Pyridine
Pyridine
CCN
CCN
COOH
COOH
CCl
CCl
CCl
CCl2
CCl2
n-Hexane
2 -CH3, 4 -CH2-
2,3-Dimethylbutane
2,2-Dimethylpropane
Hexene-1
Hexene-2
2-Methylbutene-1
2-Methylbutene-2
2,3-Dimethylbutene-2
Benzene
Styrene
Toluene
Ethylbenzene
Cumene
Propanol-1
Methanol
Water
Phenol
Butanone
Pentanone-3
Acetaldehyde
Butylacetate
Methyl propionate
Ethylformate
Dimethylether
Diethylether
Diisopropylether
Tetrahydrofuran
Methylamine
Ethylamine
Isopropylamine
Dimethylamine
Diethylamine
Diisopropylamine
Trimethylamine
Triethylamine
Aniline
Pyridine
2-Methylpyridine
2,3 Dimethylpyridine
Acetonitrile
Propionitrile
Acetic acid
Formic acid
1-Chlorobutane
2-Chloropropane
2-Chloro,2-methyl-propane
Dichloromethane
1,1-Dichloroethane
4 -CH3, 2 -CH4 -CH3, 1 -C1 -CH3. 3 -CH2-, 1 CH2=CH2 -CH3, 2 -CH2-, 1 -CH=CH2 -CH3, 1 -CH2-, 1 CH2=C3 -CH3, 1 -CH=C4 -CH3, 1 -C=C6 -ACH
1 -CH2=CH-, 5 -ACH, 1 -AC
5 -ACH,1 -ACCH3
1 -CH3, 5 -ACH, 1 -ACCH22 -CH3, 5 -ACH, 1 -ACCH1 -CH3, 2 -CH2-, 1 -OH
1 CH3OH
1 H2O
5 -ACH, 1 -ACOH
1 -CH3, 1 -CH2-, 1 CH3CO2 -CH3, 1 -CH2-, 1 -CH2CO1 -CH3, 1 -CHO
1 -CH3, 3 -CH2-, 1 CH3COO2 -CH3, 1 -CH2COO1 -CH3, 1 -CH2-, 1 -HCOO
1 -CH3, 1 -CH3O2 -CH3, 1 -CH2-, 1 -CH2O4 -CH3, 1 -CH-, 1 -CHO3 -CH2, 1 THF
1 CH3NH2
1 -CH3, 1 -CH2NH2
2 -CH3, 1 -CHNH2
1 -CH3, 1 -CH3NH
2 -CH3, 1 -CH2-,1 -CH2NH
4 -CH3, 1 -CH-,1 -CHNH
2 -CH3, 1 -CH3N
3 -CH3, 2 -CH2-, 1 -CH2N
5 -ACH, 1 -ACNH2
1 C5H5N
1 -CH3, 1-C5H4N
2 -CH3, 1-C5H3N
1 CH3CN
1 -CH3, 1 -CH2CN
1 -CH3, 1 -COOH
1 HCOOH
1 -CH3, 2 -CH2-, 1 -CH2Cl
2 -CH3, 1 -CHCl3 -CH3, 1 -CCl1 CH2Cl2
1 -CH3, 1 -CHCl2
86

Group Group
number name

name
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
CCl2
CHCl3
CCl3
CCl4
ACCl
CH3NO2
CH2NO2
CHNO2
ACNO2
CS2
CH3SH
CH2SH
Furfural
DOH
I
Br
CHC
CC
DMSO
Acrylnitrile
CL-(C=C)
ACF
DMF
HCON(CH2)2
CF3
CF2
CF
COO
SiH3
SiH2
SiH
Si
SiH2O
SiHO
SIO
NMP
CCl3F
CCl2F
HCCl2F
HCClF
CCl2
CCl3
CCl3
CCl4
ACCl
CNO2
CNO2
CNO2
ACNO2
CS2
CH3SH
CH3SH
Furfural
DOH
I
Br
CC
CC
DMSO
ACRY
CLCC
ACF
DMF
DMF
CF2
CF2
CF2
COO
SiH2
SiH2
SiH2
SiH2
SiO
SiO
SiO
NMP
CClF
CClF
CClF
CClF
90
91
92
93
94
95
96
97
98
99
100
CClF2
HCClF2
CClF3
CCl2F2
CONH2
CONHCH3
CONHCH2
CON(CH3)2
CONCH3CH2
CON(CH2)2
C2H5O2
CClF
CClF
CClF
CClF
CON
CON
CON
CON
CON
CON
OCCOH
2,2-Dichloropropane
Chloroform
1,1,1-Trichloroethane
Tetrachloromethane
Chlorobenzene
Nitromethane
1-Nitropropane
2-Nitropropane
Nitrobenzene
Carbondisulphide
Methanethiol
Ethanethiol
Furfural
1,2-Ethanediol
1-Iodoethane
1-Bromoethane
Hexyne-1
Hexyne-2
Dimethylsulfoxide
Acrylnitrile
Ethene-trichloro
Hexafluorobenzene
N,N-Dimethylformamide
N.N-Diethylformamide
Perfluorohexane
2 -CH3, 1 -CCl21 CHCl3

1 -CH3, 1 -CCl3
1 CCl4
5 -ACH, 1 -ACCl
1 CH3NO2
1 -CH3, 1 -CH2-, 1 -CH2NO2
2 -CH3, 1 -CHNO25 -ACH, 1 ACNO2
1 CS2
1 CH3SH
1 -CH3, 1 -CH2SH1 Furfural
1 DOH
1 -CH3, 1 -CH2-, 1 -I
1 -CH3, 1 -CH2-, 1 -Br
1 -CH3, 3 -CH2-, 1 CHC2 -CH3, 2 -CH2-, 1 -CC1 DMSO
1 Acrylnitrile
1 -CH=C-, 3 CL-(C=C)
6 ACF
1 DMF
2 -CH3, 1 -HCON(CH2)2
2 -CF3, 4 -CF2-
Perfluoromethyl-cyclohexane
Methylacrylate
Methylsilane
Diethylsilane
Heptamethylsiloxane
Heptamethyldsiloxane
1,3-Dimethyldsiloxane
1,1,3,3 Tetramethyl-disiloxane
Octamethylcyclo-tetrasiloxane
N-Methylpyrrolidone
Trichlorofluoromethane
Tetrachloro-1,2-difluoromethane
Dichlorofluoromethane
1Chloro1,2,2,2-tetrafluoroethane
1,2 Dichlorotetrafluoroethane
Chlorodifluoromethane
Chlorotrifluoromethane
Dichlorodifluoromethane
Acetamide
N-Methylacetamid
N-Ethylacetamide
N,N Dimethylacetamide
N,N-Methylethyl-acetamide
N,N-Diethylacetamide
2-Ethoxyethanol
(Et OXITOL)
1 -CF3, 5 -CF2-, 1 -CF

1 -CH3, 1 CH2=CH-, 1 -COO1 -CH3, 1-SiH3
2 -CH3, 2 -CH2-, 1 -SiH2
7 -CH3, 1 -SiO
6 -CH3, 1 -SiO, 1 -Si
2 -CH3, 1 -SiH2O, 1-SiH2
4 -CH3, 1 -SiHO, 1- SiH
8 -CH3, 4 SiO
1 NMP
1 CCl3F
2 -CCl2F
1 HCCl2F
1 -CF3, 1 HCClF-
87
2 -CClF2
1 HCClF2
1 CClF3
1 CCl2F2
1 -CH3, 1 -CONH2
1 -CH3, 1 -CONHCH3
2 -CH3, 1 -CONHCH21 -CH3, 1 -CON(CH3)2
2 -CH3, 1 -CONCH3CH23 -CH3, 1 -CON(CH2)21 -CH3, 1 -CH2-, 1 -C2H5O2

Group Group
number name

name
101
C2H4O2
OCCOH
102
103
104
105
106
107
108
109
110
111
112
113
114
115
CH3S
CH2S
CHS
MORPH
C4H4S
C4H3S
C4H2S
CH4
CH2=CH2
CHCH
cy-CH2
cy-CH
OH(s)
OH(t)
CH2S
CH2S
CH2S
Morpho-line
Thio-phene
Thio-phene
Thio-phene
CH2
C=C
CC
CH2
CH2
OH
OH
1-Ethoxy-2-propanol
(Et PROXITOL)
Dimethylsulfide
Diethylsulfide
Diisopropylsulfide
Morpholine
Thiophene
2-Methylthiophene
2,3-Dimethylthiophene
Methane
Ethene
Ethyne
Cyclohexane
Methylcyclohexane
Propanol-2
2- Methylpropanol-2
88
2 -CH3, 1 -CH2-, 1 -C2H4O21 -CH3, 1 -CH3S

2 -CH3, 1 -CH2-, 1 -CH2S
4 -CH3, 1 -CH-, 1 -CHS
1 MORPH
1 C4H4S
1 -CH3, 1 -C4H3S
2 -CH3, 1-C4H2S
1 CH4
1 CH2=CH2
1 CHCH
6 cy-CH2
5 cy-CH2, 1cy-CH, 1-CH3
2 -CH3, 1-CH-, 1 -OH(s)
1 -CH3, 1 -C-, 1 -OH(t)
89

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User Manual

BlendPro 5.0 User Manual

ABOUT THIS MANUAL .............................................................................................................................8

DOCUMENT STRUCTURE ..........................................................................................................................8

PROGRAM LIMITATIONS .......................................................................................................................9

NEW FEATURES .......................................................................................................................................10

GETTING STARTED ................................................................................................................................11

BLENDPRO STRUCTURE AND SCREENS ..........................................................................................13

MAIN SCREEN ........................................................................................................................................13

IN SHORT: HOW TO...? ...........................................................................................................................16

HOW TO... CUSTOMISE BLENDPRO TO MY OWN NEEDS? ........................................................................16

BLENDPRO MENU SECTION.................................................................................................................27

Solvent database Menu............................................................................................................................33

Tools Database Resins .......................................................................................................36

BlendPro 5.0 User Manual

Modifying the database ...........................................................................................................................39

Tools Options ..........................................................................................................................39

AVAILABLE SOLVENTS SECTION ......................................................................................................44

11.1. SOLUBILITY PARAMETERS AND THREE PARAMETER SYSTEMS ...............................................................50

BlendPro 5.0 User Manual

GLYCOL ETHERS AND ETHERS CONTENT ..........................................................................................59

APPENDIX 1. Menu items ..................................................................................................................78

BlendPro 5.0 User Manual

Figure 21. Windows options ..................................................................................................................42

BlendPro 5.0 User Manual

BlendPro 5.0 User Manual

Welcome to the User Manual of BlendPro 5.0.

BlendPro 5.0 User Manual

BlendPro User Manual

About this manual

2.2. Document conventions

BlendPro User Manual

BlendPro User Manual

Asia Pacific region

BlendPro User Manual

5.3. License Request

BlendPro User Manual

7. In short: How to?

BlendPro structure and screens

Figure 1. BlendPro 5.0 Main screen

BlendPro User Manual

7. In short: How to?

6.2. Database screens

Figure 2. Solvent database screen

BlendPro User Manual

7. In short: How to?

Figure 3. Resin database screen

BlendPro User Manual

7. In short: How to?

In short: How to...?

7.1. How to... customise BlendPro to my own needs?

Customising the Available solvents table

Customising the Data table

Customising the reformulation constraints table

Using your own solvent/resin names or codes

BlendPro User Manual

7. In short: How to?

7.2. How to... do a properties calculation ?

Blend file and blend tab

Name your blend

Enter fractions for each solvent

Enter evaporation conditions

Enter formulation properties

BlendPro User Manual