HSC Chemistry 6.

0 Antti Roine August 10, 2006

0 - 1(4) 06120-ORC-T

HSC Chemistry 6.0 User's

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Chemical Reaction and Equilibrium Software with Extensive Thermochemical Database and Flowsheet Simulation ntti Roine !"#$!%&RC%T

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HSC Chemistry 6.0 Antti Roine August 10, 2006

0 - 2(4) 06120-ORC-T

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HSC Chemistry 6.0 Antti Roine August 10, 2006

0 - <(4) 06120-ORC-T

ABSTRACT
HSC Chemistry is designed for various kinds of chemical reactions and equilibria calculations. The current version contains fourteen basic calculation modules for single process units and displayed as options in the HSC main menu: 1. 2. 3. 4. . !. ". Reaction Equations Heat and "aterial #alances Heat %oss Calculations Equilibrium Compositions Electrochemical Equilibria 'ormula (eights Eh + pH , !iagrams 8. 9. 10. 11. 12. 13. 14. H, S, C and !iagrams $hase Stability !iagrams "ineralogy &terations Composition Conversions Elements (ater )Steam Tables* -nits

The ne. process simulation modules )Sim, eo, !ata and "ap* makes possible to connect the single process units .ith each others .ith streams/ This makes possible to simulate the .hole chemical process made of several process units, see details from HSC+Sim manual/ The name of the program is based on the feature that all calculation options automatically utili0e the same e1tensive thermochemical database .hich contains enthalpy )#*, entropy )S* and heat capacity )C* data for more than 23444 chemical compounds/ This database is equivalent to more than seventeen thick data books/ The ob5ective of HSC is to make conventional thermodynamic calculations fast and easy to carry out using personal computers/ Therefore HSC has a .ide range of application possibilities in scientific education, industry and research/ Thermochemical calculations are useful, for e1ample, .hen de$elo%in& ne' chemical %rocesses and im%ro$in& old ones/ HSC Chemistry is also a useful tool for universities and schools in chemical practicals and studies/ Traditionally, thermodynamic calculations based on e1perimental or assessed data have utili0ed stability functions in various thermodynamic data books and papers in scientific 5ournals/ The difficult searching stage and complicated calculations, as .ell as inconsistencies arising from different selections of standard and reference states, have made this calculation procedure quite time+consuming/ HSC Chemistry offers po.erful calculation methods for studying the effects of different variables on the chemical system at equilibrium/ 'or e1ample, if the user gives the ra. materials, amounts and other conditions of almost any chemical process, the program .ill give the amounts of the product as a result/ HSC also makes heat and material balance calculations of different processes much more easily than any manual method/ The Eh+pH+ diagrams option of HSC also offers a very fast .ay of studying the dissolution and corrosion behavior of different materials/ 6f 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/ Ho.ever, in many cases it is a very ine1pensive and useful tool .hich helps to find the optimum reaction conditions and yields for e1perimental investigations .ithout e1pensive trial+and+error chemistry/

HSC Chemistry 6.0 Antti Roine August 10, 2006

0 - =(4) 06120-ORC-T

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