THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section09


416. SOGEQ:A General Computer Program for the Calculation of Chemical Equilibria Including Activities in Multicomponent Condensed Phases

by R. A. Howald, I. Eliezer, H. F. Byker and R.E.R. Craig, Department of Chemistry, Montana State University, Bozeman, Montana 59717

This system consists of two main sections. One accomplishes thermodynamic calculations, and the other is responsible for free energy minimization. The system was designed for use with non-ideal liquid phases. Activities and activity coefficients can also be calculated at single compositions or over a range of compositions.

This program was developed to be very general. Data for particular components and systems are not included in the program but must be supplied by the user either from a terminal or external data file.

FORTRAN IV (ANSI) Lines of Code: 2200



Computational Chemistry List --- QCPE Main --- About This Site