SAND96-xxxx
Unlimited Release
June 1996
EQUIL: A CHEMKIN IMPLEMENTATION OF STANJAN,
FOR COMPUTING CHEMICAL EQUILIBRIA
Andrew E. Lutz, Fran M. Rupley, and Robert
J. Kee
MS-9042
Sandia National Laboratories
Livermore, CA 94551-0969
ABSTRACT
Equil is a Fortran computer program that computes the chemical equilibrium
state of an ideal gas mixture. The program provides an interface that accepts
input in Chemkin format and calls routines in the Stanjan library to find
the equilibrium state. Stanjan provides an efficient algorithm for minimizing
the free energy of the mixture to find the equilibrium state. Equil is designed
to run as a stand alone application, or to be used as a subroutine that can
be called from a Chemkin application. Equil is designed to handle multiple-phases
using Surface Chemkin to identify other phases.
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