化学反应模式计算程序的自动生成

在化学模式，尤其是大气化学模式中，常常需要求解涉及许多化学反应的大型刚性常微分方程组，其中书写算法所需的右函数子程序及雅可比矩阵子程序是一相当繁琐费时的工作，本文讨论并给出了可自动书写这些子程序的实用程序的开发过程，使用该实用程序时，用户仅需输入符合格式规定的化学动力学反应文本即可得到相应的化学反应模式的计算程序，文中涉及的程序和子过程用Ｃ语言并在微机上编译运行通过，可以满足绝大部分化学模式的需要

THE AUTOMATIC GENERATION OF SUBROUTINES NEEDED IN THE MODELING OF CHEMICAL REACTION SYSTEMS

In chemical modeling,especially atmospheric chemical modeling,large stiff ordinary differential equations (ODEs) resulting from complex chemical reaction systems often make an extremely difficult and time-consuming job to write the sub-routines of calculating the right function and the JACCOBI matrix needed in many, sophisticated algorithms for solving stiff ODEs. Hereinafter a procedure for an automatic writing of these sub-routines by computer was presented. The underlying thoughts for such a programing were also preffered and discussed. In putting it into use,it is only needed for the user to input the properly-standardized document of the chemical reaction system;and then, the corresponding programs for the modeling will be generated. The whole program and its segments using C language ran well on PC/AT/XT computers and could satisfy the needs in most chemical modelings.