ON THE CONCEPT OF STOICHIOMETRY OF REACTION-MECHANISMS

被引：13

作者：

VALDESPEREZ, RE

机构：

[1] School of Computer Science, Carnegie Mellon University, Pittsburgh

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1991年 / 95卷 / 12期

关键词：

D O I：

10.1021/j100165a057

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：

The usual method to determine the stoichiometry implied by a reaction mechanism has an ambiguity arising from the need to specify the intermediates, leading in some cases to several possible stoichiometries. A formalization of mechanistic stoichiometry as an optimization problem removes the reliance on the concept of an intermediate, and clarifies the relation between stoichiometry of a mechanism and ideal yield of a target product. The proposed formalization is in terms of linear programming.

引用

页码：4918 / 4921

页数：4