SENKIN: A Fortran program for predicting homogeneous gas phase chemical kinetics with sensitivity analysis. 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 five problem types: an adiabatic system with constant pressure; an adiabatic system with constant volume; an adiabatic system with the volume a specified function of time; a system where the pressure and temperature are constant; and a system where the pressure is constant and the temperature is a specified function 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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  1. Fischer, Marc; Riedel, Uwe: Combustion chemistry and parameter estimation (2013)
  2. Jangi, M.; Yu, R.; Bai, X.S.: A multi-zone chemistry mapping approach for direct numerical simulation of auto-ignition and flame propagation in a constant volume enclosure (2012)
  3. Karagiannidis, Symeon; Mantzaras, John: Numerical investigation on the hydrogen-assisted start-up of methane-fueled, catalytic microreactors (2012)
  4. Dhuchakallaya, I.; Watkins, A.P.: Auto-ignition of diesel spray using the PDF-eddy break-up model (2010)
  5. Lefantzi, Sophia; Ray, Jaideep; Kennedy, Christopher A.; Najm, Habib N.: A component-based toolkit for simulating reacting flows with high order spatial discretisations on structured adaptively refined meshes (2005)
  6. Sankaran, R.; Im, H.G.: Characteristics of auto-ignition in a stratified iso-octane mixture with exhaust gases under homogeneous charge compression ignition conditions (2005)
  7. Bhave, Amit; Kraft, Markus: Partially stirred reactor model: Analytical solutions and numerical convergence study of a PDF/Monte Carlo method (2004)
  8. Kraft, Markus; Wagner, Wolfgang: An improved stochastic algorithm for temperature-dependent homogeneous gas phase reactions. (2003)
  9. Kraft, M.; Wagner, W.: Numerical study of a stochastic particle method for homogeneous gas-phase reactions. (2003)
  10. Manca, D.; Buzzi-Ferraris, G.; Faravelli, T.; Ranzi, E.: Numerical problems in the solution of oxidation and combustion models (2001)
  11. Tocci, Michael D.: Sensitivity analysis of large-scale time dependent PDEs (2001)
  12. Harris, S.D.; Elliott, L.; Ingham, D.B.; Pourkashanian, M.; Wilson, C.W.: The optimisation of reaction rate parameters for chemical kinetic modelling of combustion using genetic algorithms (2000)
  13. Jazbec, M.; Fletcher, D. F.; Haynes, B. S.: Simulation of the ignition of lean methane mixtures using CFD modelling and a reduced chemistry mechanism (2000)