Development of Constrained Equilibrium Codes and Their Applications in Nonequilibrium Thermodynamics

Abstract

Two constrained equilibrium codes, GNASA and GSTANJAN, have been developed which determine the composition of constrained equilibrium gas mixture. These codes use NASA and STANJAN equilibrium programs as the basis for generalized equilibrium routines. Gas mixture composition is determined by minimizing Gibbs free energy of the mixture subject to any specified constraints in addition to elemental constraints. Performances of these two codes have been compared to each other, and it has been found that GSTANJAN converges over a wider range of constraints, while the convergence of GNASA is limited. These codes have been applied in nonequilibrium evolution process of hydrogen-oxygen mixture. The nonequilibrium process has been modeled by using only two constraints in addition to elemental constraints. The results are in good agreement with detailed kinetic solution.