AUTOMATIC-GENERATION OF REACTION-MECHANISMS FOR THE DESCRIPTION OF THE OXIDATION OF HIGHER HYDROCARBONS

被引：68

作者：

CHEVALIER, C ^{[1
]}

WARNATZ, J ^{[1
]}

MELENK, H ^{[1
]}

机构：

[1] KONRAD ZUSE ZENTRUM INFORMAT TECH BERLIN,BERLIN,GERMANY

来源：

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 1990年 / 94卷 / 11期

关键词：

CHEMICAL KINETICS; IGNITION;

D O I：

10.1002/bbpc.199000033

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Oxidation mechanisms even for rather simple hydrocarbons like heptane consist due to the occurrence of many isomeric structures of thousands of reactions of hundreds of species. The automatic generation of these reaction mechanisms using artificial intelligence means is described. Results are presented for n-heptane-air mixtures, where a hand-written reaction mechanism tested against experimental data is available.

引用

页码：1362 / 1367

页数：6

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