Journal of Chemical Software
Online ISSN : 1883-8359
Print ISSN : 0918-0761
ISSN-L : 0918-0761
Simulation Programs of Chemical Reaction Model Represented as Reaction Formula using Microcomputer
Numerical Intergration of Ordinary Differential Equations
Issei IwamotoHisao MoritaTakahiro YamanotoKimihiro HirutaSoichi OtukaKazuhiko Sakamoto
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1993 Volume 1 Issue 3-4 Pages 151-156

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Abstract

Simulation programs for any chemical reaction processes by using a microcomputer have been developed, in which a chemical reaction model can easily be inputted as a group of chemical reaction formula coupled with rate constants. The preconpile of a reaction model and linkage to the integration program by executing these programs realize a considerable reduction of calculation time and the use of "Menu" screen made operation of the programs easy.

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© Society of Computer Chemistry, Japan
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