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
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
收藏
页码:4918 / 4921
页数:4
相关论文
共 5 条
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  • [4] Steiglitz, 1982, COMBINATORIAL OPTIMI
  • [5] [No title captured]