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SAND87-8248
Unlimited Release
Revised June 1996

SENKIN: A FORTRAN PROGRAM FOR PREDICTING
HOMOGENEOUS GAS PHASE CHEMICAL KINETICS
WITH SENSITIVITY ANALYSIS


Andrew E. Lutz, Robert J. Kee, and James A. Miller
MS-9042
Sandia National Laboratories
Livermore, CA 94551-0969
aelutz@ca.sandia.gov

ABSTRACT

SENKIN is a Fortran computer program that computes the time evolution of a homogeneous reacting gas mixture in a closed system. The model accounts for finite-rate elementary chemical reactions, and performs kinetic sensitivity analysis with respect to the reaction rates. The program considers six problem types:

    A. an adiabatic system with constant pressure,
    B. an adiabatic system with constant volume,
    C. an adiabatic system with the volume a specified function of time,
    D. a system where the pressure and temperature are constant, and
    E. a system where the volume and temperature are constant, and
    F. a system where the pressure and temperature are specified functions of time.

The program uses the DASAC software to solve both the nonlinear ordinary differential equations that describe the temperature and species mass fractions and the set of linear differential equations that describe the first-order sensitivity coefficients of temperature and species composition with respect to the individual reaction rates. The program runs in conjunction with the CHEMKIN package, which handles the chemical reaction mechanism.

 

   
 



 
 

 



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