Three schemes for determination of equilibrium states at prescribed temperature and pressure may be considered, namely, Gibbs function minimization, equilibrium constant formulation, and equating of forward and reverse rates.(1) The first two schemes are well known to be equivalent, “static equilibrium” formulations based on the Gibbs function minimization principle for a mixture at specified temperature and pressure. The third, a “dynamic equilibrium” scheme, is not of practical use, as it is essentially a limiting case of finite-rate kinetics based on infinite reaction time, and therefore has all of the difficulties associated with finite-rate chemistry solutions.
KeywordsGibbs Function Nonlinear Algebraic Equation Correction Equation Mole Number Correction Variable
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