Journal article
The kinetic preprocessor KPP-a software environment for solving chemical kinetics
Computers & chemical engineering, Vol.26(11), pp.1567-1579
2002
DOI: 10.1016/S0098-1354(02)00128-X
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.
Details
- Title: Subtitle
- The kinetic preprocessor KPP-a software environment for solving chemical kinetics
- Creators
- Valeriu Damian - Glaxo SmithKline Beecham Pharmaceuticals, King of Prussia, PA 19406, USAAdrian Sandu - Department of Computer Science, Michigan Technological University, 1400 Townsend Drive, Houghton, MI 49931, USAMirela Damian - Department of Computer Science, Villanova University, Villanova, PA 19085, USAFlorian Potra - Department of Mathematics, University of Maryland Baltimore County, Baltimore, MD 21250, USAGregory R Carmichael - Department of Chemical and Biochemical Engineering, University of Iowa, Iowa City, IA 52242, USA
- Resource Type
- Journal article
- Publication Details
- Computers & chemical engineering, Vol.26(11), pp.1567-1579
- Publisher
- Elsevier Ltd
- DOI
- 10.1016/S0098-1354(02)00128-X
- ISSN
- 0098-1354
- eISSN
- 1873-4375
- Language
- English
- Date published
- 2002
- Academic Unit
- Nursing; Civil and Environmental Engineering; Chemical and Biochemical Engineering
- Record Identifier
- 9984003435402771
Metrics
30 Record Views