Technical note: Simulating chemical systems in Fortran90 and Matlab with the Kinetic PreProcessor KPP-2.1

被引:196
作者
Sandu, A [1 ]
Sander, R
机构
[1] Virginia Polytech Inst & State Univ, Dept Comp Sci, Blacksburg, VA 24060 USA
[2] Max Planck Inst Chem, Air Chem Dept, D-55128 Mainz, Germany
关键词
D O I
10.5194/acp-6-187-2006
中图分类号
X [环境科学、安全科学];
学科分类号
08 ; 0830 ;
摘要
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.
引用
收藏
页码:187 / 195
页数:9
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