General chemical kinetics computer program for static and flow reactions, with application to combustion and shock-tube kinetics
David A. Bittker, Vincent J. Scullin, United States. National Aeronautics and Space Administration, Lewis Research Center
National Aeronautics and Space Administration, 1972 - Science - 187 pages
A general chemical kinetics program is described for complex, homogeneous ideal-gas reactions in any chemical system. Its main features are flexibility and convenience in treating many different reaction conditions. The program solves numerically the differential equations describing complex reaction in either a static system or one-dimensional inviscid flow. Applications include ignition and combustion, shock wave reactions, and general reactions in a flowing or static system. An implicit numerical solution method is used which works efficiently for the extreme conditions of a very slow or a very fast reaction. The theory is described, and the computer program and users' manual are included.
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FLUID DYNAMIC AND CHEMICAL EQUATIONS
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0ERIVATIVE ASSIGNED VARIABLE calculations CGS UNITS chemical kinetics chemical reactions CM AXIAL POSITION CM FLOW PROPERTIES coefficients combustion COMPUTE CONTROLLING VARIABLE RELATIVE DECK SUBROUTINE DENSITY DERIVATIVE INCREMENT RELATIVE differential equations DOUBLE PRECISION ENERGY EXCHANGE RATE enthalpy ENTROPY equilibrium ERROR PREDICTOR ITERATIONS FLOW PROPERTIES PRESSURE FLOW RATE GM/SEC INCREMENT RELATIVE ERROR input INTEGRATION INDICATORS STEPS integration step IVAR LAST PRINT AVERAGE MACH NUMBER GAMMA MASS FLOW RATE MASS FRACTION SUM MINIMUM STEP MIXTURE MOLECULAR WEIGHT MMHG MOLE FRACTION MOLECULAR WEIGHT numerical integration output partial derivatives PRINT AVERAGE STEP print station PXXSIG(J,N2 REACTION CONVERSION RATE REACTION NET REACTION reaction rate RELATIVE ERROR PREDICTOR shock tube shock wave species concentration species list species name SPECIES PRODUCTION RATE SPNM STEP SIZE CONTROLLING STEPS FROM LAST temperature thermodynamic thermodynamic data third-body efficiency TIMEV TOTAL ENERGY EXCHANGE VARIABLE DERIVATIVE INCREMENT VARIABLE RELATIVE ERROR VELOCITY CM/SEC VERSI WRITE