The kinetic preprocessor KPP - A software environment for solving chemical kinetics
Document Type
Article
Publication Date
11-15-2002
Abstract
The kinetic preprocessor (KPP) is a software tool that assists the computer simulation of chemical kinetic systems. The concentrations of a chemical system evolve in time according to the differential law of mass action kinetics. A computer simulation requires the implementation of the differential system and its numerical integration in time. KPP translates a specification of the chemical mechanism into FORTRAN or C simulation code that implement the concentration time derivative function and its Jacobian, together with a suitable numerical integration scheme. Sparsity in Jacobian is carefully exploited in order to obtain computational efficiency. KPP incorporates a library with several widely used atmospheric chemistry mechanisms and users can add their own chemical mechanisms to the library. KPP also includes a comprehensive suite of stiff numerical integrators. The KPP development environment is designed in a modular fashion and allows for rapid prototyping of new chemical kinetic schemes as well as new numerical integration methods. © 2002 Elsevier Science Ltd. All rights reserved.
Publication Title
Computers and Chemical Engineering
Recommended Citation
Damian, V.,
Sandu, A.,
Damian, M.,
Potra, F.,
&
Carmichael, G.
(2002).
The kinetic preprocessor KPP - A software environment for solving chemical kinetics.
Computers and Chemical Engineering,
26(11), 1567-1579.
http://doi.org/10.1016/S0098-1354(02)00128-X
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/7399