The kinetic preprocessor KPP - a software environment for solving chemical kinetics
The kinetic preprocessor KPP - a software environment for solving chemical kinetics
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DOI：
10.1016/s0098-1354(02)00128-x
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发表时间：
2002-11-15
影响因子：
4.3
通讯作者：
Carmichael, GR
中科院分区：
文献类型：
--
作者：
Damian, V;Sandu, A;Carmichael, GR
动力学预处理器（KPP）是一种辅助化学动力学系统计算机模拟的软件工具。化学体系的浓度根据质量作用动力学的微分定律随时间而变化。计算机模拟需要实现微分系统及其数值积分。KPP将化学机理的规范转换为FORTRAN或c仿真代码，实现浓度时间导数函数及其雅可比矩阵，以及合适的数值积分方案。为了提高计算效率，仔细地利用了雅可比矩阵的稀疏性。KPP集成了一个包含几种广泛使用的大气化学机制的库，用户可以将自己的化学机制添加到库中。KPP还包括一套全面的硬数值积分器。KPP开发环境以模块化的方式设计，并允许新的化学动力学方案以及新的数值集成方法的快速原型。(C) 2002 Elsevier Science Ltd.版权所有。
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. (C) 2002 Elsevier Science Ltd. All rights reserved.