AN ESTIMATION OF CHEMICAL-EQUILIBRIUM IN A HETEROGENEOUS MULTICOMPONENT SYSTEM

Authors
Citation
P. Vonka et J. Leitner, AN ESTIMATION OF CHEMICAL-EQUILIBRIUM IN A HETEROGENEOUS MULTICOMPONENT SYSTEM, Calphad, 19(3), 1995, pp. 305-313
Citations number
14
Categorie Soggetti
Chemistry Physical",Thermodynamics
Journal title
ISSN journal
03645916
Volume
19
Issue
3
Year of publication
1995
Pages
305 - 313
Database
ISI
SICI code
0364-5916(1995)19:3<305:AEOCIA>2.0.ZU;2-T
Abstract
A simple algorithm which always converges for estimating the phase com position and compositions of multicomponent phases of a reacting heter ogeneous multicomponent closed system has been proposed and its conver gence proved. The thus obtained estimation serves as the first approxi mation of a chemical equilibrium calculation at given temperature, pre ssure and feed composition. The model of a totally immiscible system i s applied and the blast furnace problem is presented as an example for the demonstration of the algorithm. All mathematical proofs are conta ined separately (see Appendix).