A COMPUTATIONALLY EFFICIENT ALGORITHM FOR SIMULTANEOUS CHEMICAL AND PHASE-EQUILIBRIUM CALCULATIONS

Authors
TSVETKOV S STATEVA RP
Citation
S. Tsvetkov et Rp. Stateva, A COMPUTATIONALLY EFFICIENT ALGORITHM FOR SIMULTANEOUS CHEMICAL AND PHASE-EQUILIBRIUM CALCULATIONS, Collection of Czechoslovak Chemical Communications, 62(4), 1997, pp. 558-574
Citations number
20
Categorie Soggetti
Chemistry
Journal title
Collection of Czechoslovak Chemical Communications → ACNP
ISSN journal
00100765
Volume
62
Issue
4
Year of publication
1997
Pages
558 - 574
Database
ISI
SICI code
0010-0765(1997)62:4<558:ACEAFS>2.0.ZU;2-V
Abstract
The paper recommends a particularly effective modification of the K-va lue approach to simultaneous phase and chemical equilibrium. Three exa mples are presented - the esterification reaction of ethanol with acet ic acid, the synthesis of methanol, and the butylation of m-xylene. Di scussed are the reliability and computational efficiency of the new al gorithm.