ChemSage—A computer program for the calculation of complex chemical equilibria View Full Text


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Article Info

DATE

1990-12

AUTHORS

Gunnar Eriksson, Klaus Hack

ABSTRACT

An extensive computer program called ChemSage, based upon the SOLGASMIX Gibbs energy minimizer, is presented together with several examples which illustrate its use. ChemSage was designed to perform three types of thermochemical calculations in complex systems involving phases exhibiting nonideal mixing properties. These are the calculation of thermodynamic functions, heterogeneous phase equilibria, and steady-state conditions for the simulation of simple multistage reactors. The thermodynamic functions module calculates specific heat, enthalpy, entropy, and Gibbs energy with respect to a chosen reference state for a given phase and, if this phase is a mixture, the partial properties of its components. Chemical equilibrium calculations can be made for a system which has been uniquely defined with respect to temperature, pressure (or volume), and composition. One of these quantities may also be replaced by an extensive property or phase target,e.g., for the calculation of adiabatic and liquidus temperatures, respectively. More... »

PAGES

1013-1023

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf02670272

DOI

http://dx.doi.org/10.1007/bf02670272

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1047565109


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