Setting kinetic controls for complex equilibrium calculations
|Title||Setting kinetic controls for complex equilibrium calculations|
|Publication Type||Journal Article|
|Year of Publication||2001|
|Authors||Koukkari, P, Pajarre, R, Hack, K|
|Keywords||chemapp, chemsage, ChemSheet, kinetics, Process Simulation|
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.