Arthur D. Pelton

TL;DR: The reputation of FactSage has been established mainly in the field of complex chemical equilibria and process simulation where the software has unique capabilities.

TL;DR: Emphasis is placed on the new databases and the calculation and manipulation of phase diagrams and complex phase equilibria in the FactSage thermochemical software and databases.

TL;DR: The FactSage computer package as discussed by the authors consists of a series of information, calculation and manipulation modules that enable one to access and manipulate compound and solution databases and perform a wide variety of thermochemical calculations and generate tables, graphs and figures of interest.

TL;DR: In this article, a modified quasichemical model for short-range ordering in liquid and solid solutions is presented, where the energy of pair formation is expanded in terms of the pair fractions rather than the component fractions, and coordination numbers are permitted to vary with composition.

TL;DR: In this article, the modified quasi-chemical model in the pair approximation for short-range ordering (SRO) in liquids is extended to multicomponent solutions and an improved general functional form for "ternary terms" in the excess Gibbs energy expression is proposed, related to the effect of a third component upon the binary pair interaction energies.