Chemical equilibrium calculations can be made for a system which has been uniquely defined with respect to temperature, pressure (or volume), and composition. 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. These are the calculation of thermodynamic functions, heterogeneous phase equilibria, and steady-state conditions for the simulation of simple multistage reactors. ChemSage was designed to perform three types of thermochemical calculations in complex systems involving phases exhibiting nonideal mixing properties. Some of these capabilities are also shown in this paper.read more read lessĪbstract: An extensive computer program called ChemSage, based upon the SOLGASMIX Gibbs energy minimizer, is presented together with several examples which illustrate its use. However the reputation of FactSage has been established mainly in the field of complex chemical equilibria and process simulation where the software has unique capabilities. In this article emphasis is placed on the calculation and manipulation of phase diagrams. With the various modules one can perform a wide variety of thermochemical calculations and generate tables, graphs and figures of interest to chemical and physical metallurgists, chemical engineers, corrosion engineers, inorganic chemists, geochemists, ceramists, electrochemists, environmentalists, etc. The FactSage package runs on a PC operating under Microsoft Windows® and consists of a series of information, database, calculation and manipulation modules that enable one to access and manipulate pure substances and solution databases. FactSage was introduced in 2001 and is the fusion of the FACT-Win/F∗A∗C∗T and ChemSage/SOLGASMIX thermochemical packages that were founded over 25 years ago. Abstract: This paper presents a summary of the FactSage thermochemical software and databases.
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