Setting kinetic controls for complex equilibrium calculations

TitleSetting kinetic controls for complex equilibrium calculations
Publication TypeJournal Article
Year of Publication2001
AuthorsKoukkari, P, Pajarre, R, Hack, K
JournalZ. Metallkde.
Volume92
Start Page1151
Keywordschemapp, chemsage, ChemSheet, kinetics, Process Simulation
Abstract

Based on some original thoughts by J.W. Gibbs, a refined method for the introduction of kinetic controls into complex equilibrium calculations has been devised. The new method avoids problems affecting the entropy of mixing in solution phases that originate from the use of simple image components which have been applied earlier. The method is explained in detail and successful applications are discussed.