Studies on the synthesis of chemical reaction paths-I. Reaction characteristics in the (ΔG, T) space and a primitive synthesis procedure

Rotstein, E; Resasco, D; Stephanopoulos, G

dc.contributor.author	Rotstein, E	en
dc.contributor.author	Resasco, D	en
dc.contributor.author	Stephanopoulos, G	en
dc.date.accessioned	2014-03-01T01:38:25Z
dc.date.available	2014-03-01T01:38:25Z
dc.date.issued	1982	en
dc.identifier.issn	00092509	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/22135
dc.relation.uri	http://www.scopus.com/inward/record.url?eid=2-s2.0-0020289940&partnerID=40&md5=32ab805beba7209f960b613650fe0548	en
dc.subject.other	CHEMICAL REACTIONS - REACTION KINETICS	en
dc.title	Studies on the synthesis of chemical reaction paths-I. Reaction characteristics in the (ΔG, T) space and a primitive synthesis procedure	en
heal.type	journalArticle	en
heal.publicationDate	1982	en
heal.abstract	The creation of new reaction paths to accomplish a certain chemical goal has received increasing attention in the recent past. The present series attempts to establish an analytic framework that systematizes the search for the production of a certain chemical product, knowing that there is a wide number of chemicals which could be either raw materials or by-products of the eventual chemical reaction. In this paper some invariant algebraic properties of the chemical reactions in the space of ΔG (free energy change), T (temperature) are developed. Furthermore, based on these properties, a search strategy is proposed for the creation and screening of alternative reaction paths, leading to a desired chemical product. The above analysis has been concerned with single-step and multiple-step reactions including open and closed sequences of reactions (clusters of reactions). © 1982.	en
heal.journalName	Chemical Engineering Science	en
dc.identifier.volume	37	en
dc.identifier.issue	9	en
dc.identifier.spage	1337	en
dc.identifier.epage	1352	en