Atmospheric chemistry and physics · 2006 · 349 citations · 16 references
Natural SciencesChemical EngineeringChemistryChemical KineticsComputational ChemistryReaction EngineeringChemical Kinetics ModelingChemical Reaction KineticsKinetic ModelingNumerical Methods For Differential EquationsReaction DynamicsReaction Mechanism ModelingDiscrete ModelsReaction Kinetics ModelingReaction Rate CoefficientsReaction Rate ModelingTemporal Model IntegrationTransient Kinetic Modeling
The paper introduces KPP version 2.1, a tool for generating code for chemical kinetics. KPP converts reaction networks into efficient Fortran, Matlab, or C code, exploiting Jacobian and Hessian sparsity, providing stiff integrators, and generating tangent linear and adjoint models. Abstract.
Abstract. This paper presents the new version 2.1 of the Kinetic PreProcessor (KPP). Taking a set of chemical reactions and their rate coefficients as input, KPP generates Fortran90, Fortran77, Matlab, or C code for the temporal integration of the kinetic system. Efficiency is obtained by carefully exploiting the sparsity structures of the Jacobian and of the Hessian. A comprehensive suite of stiff numerical integrators is also provided. Moreover, KPP can be used to generate the tangent linear model, as well as the continuous and discrete adjoint models of the chemical system.
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