HSC Chemistry 5.

1
A. Roine October 31, 2002

0-1
02103-ORC-T

Outokumpu HSC Chemistry for Windows

Chemical Reaction and Equilibrium Software with Extensive Thermochemical Database User's Guide Antti Roine Version 5.1 02103-ORC-T

Outokumpu Research Oy Information Service P.O. Box 60 FIN - 28101 PORI FINLAND Fax: +358 - 2 - 626 - 5310 Tel: +358 - 2 - 626 - 6111 E-mail: hsc@outokumpu.com www.outokumpu.com/hsc

ISBN 952-9507-08-9

HSC Chemistry 5.1

A. Roine October 31, 2002

0-2
02103-ORC-T

Appendices Related reports Project number Keywords 99079-ORC-T, 97036-ORC-T, 94027-ORC-T 24282, 24292 Thermodynamics, Thermochemistry

ISBN

952-9507-08-9

HSC Chemistry 5.1

A. Roine October 31, 2002

0-3
02103-ORC-T

ABSTRACT
HSC Chemistry is designed for various kinds of chemical reactions and equilibria calculations. The current version contains fourteen calculation modules displayed as fourteen options in the HSC main menu: 1. 2. 3. 4. 5. 6. 7. Reaction Equations Heat and Material Balances Heat Loss Calculations Equilibrium Compositions Electrochemical Equilibria Formula Weights Eh - pH Diagrams 8. 9. 10. 11. 12. 13. 14. H, S, C and G Diagrams Phase Stability Diagrams Mineralogy Iterations Composition Conversions Elements Water (Steam Tables) Units

The name of the program is based on the feature that all fourteen calculation options automatically utilize the same extensive thermochemical database which contains enthalpy (H), entropy (S) and heat capacity (C) data for more than 17000 chemical compounds. This database is equivalent to more than seventeen thick data books. The objective of HSC is to make conventional thermodynamic calculations fast and easy to carry out using personal computers. Therefore HSC has a wide range of application possibilities in scientific education, industry and research. Thermochemical calculations are useful, for example, when developing new chemical processes and improving old ones. HSC Chemistry is also a useful tool for universities and schools in chemical practicals and studies. Traditionally, thermodynamic calculations based on experimental or assessed data have utilized stability functions in various thermodynamic data books and papers in scientific journals. The difficult searching stage and complicated calculations, as well as inconsistencies arising from different selections of standard and reference states, have made this calculation procedure quite time-consuming. HSC Chemistry offers powerful calculation methods for studying the effects of different variables on the chemical system at equilibrium. For example, if the user gives the raw materials, amounts and other conditions of almost any chemical process, the program will give the amounts of the product as a result. HSC also makes heat and material balance calculations of different processes much more easily than any manual method. The EhpH-diagrams option of HSC also offers a very fast way of studying the dissolution and corrosion behavior of different materials. Of course, HSC does not solve all chemical problems, because it does not take into account the kinetics (rates) of the chemical reactions and non-ideality of solutions. However, in many cases it is a very inexpensive and useful tool which helps to find the optimum reaction conditions and yields for experimental investigations without expensive trial-and-error chemistry.

HSC Chemistry 5.1

A. Roine October 31, 2002

0-4
02103-ORC-T

CONTENTS
ABSTRACT