NASA STI Repository (National Aeronautics and Space Administration) · 1976 · 231 citations · 0 references
Open access
Natural SciencesChemical EngineeringChemistryPhysical ChemistryTheoretical ChemistryThermodynamicsChemical Kinetics ModelingChemical ThermodynamicsCombustion FundamentalsDetonation TheoryThermodynamics Of Phase EquilibriaChapman-jouguet DetonationChemical Equilibrium ConstantsChemical Equilibrium ModelingDetonationDetonation SimulationFree Energy MinimizationRocket CombustionThermodynamic Property Modeling
A detailed description of the equations and computer program for computations involving chemical equilibria in complex systems is given. A free-energy minimization technique is used. The program permits calculations such as (1) chemical equilibrium for assigned thermodynamic states (T,P), (H,P), (S,P), (T,V), (U,V), or (S,V), (2) theoretical rocket performance for both equilibrium and frozen compositions during expansion, (3) incident and reflected shock properties, and (4) Chapman-Jouguet detonation properties. The program considers condensed species as well as gaseous species.