Numerical Method for Partial Equilibrium Flow

Abstract A numerical method is presented for chemically reactive fluid flow in which equilibrium and nonequilibrium reactions occur simultaneously. The equilibrium constraints on the species concentrations are established by a quadratic iterative procedure. If the equilibrium reactions are uncoupled and of second or lower order, the procedure converges in a single step. In general, convergence is most rapid when the reactions are weakly coupled. This can frequently be achieved by a judicious choice of the independent equilibrium reactions. In typical transient calculations, satisfactory accuracy has been achieved with about five iterations per time step.