Z. Metallkde., 92 ( 2001), 1151
Language: English

Setting kinetic controls for complex equilibrium calculations

Koukkari P. Pajarre R.

VTT Chemical Technology, Helsinki, Finland

Hack K.

GTT-Technologies, Herzogenrath, Germany

Keywords: chemsage chemsheet chemapp process simulation kinetics

 

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.