Graph-theoretic approach to the catalytic-pathway identification of methanol decomposition

被引：0

作者：

Lin, Yu-Chuan ^{[2
]}

Fan, L. T. ^{[1
]}

Shafie, Shahram ^{[1
]}

Bertok, Botond ^{[3
]}

Friedler, Ferec ^{[3
]}

机构：

[1] Kansas State Univ, Dept Chem Engn, Durland Hall, Manhattan, KS 66506 USA

[2] Yuan Ze Univ, Dept Chem Engn & Mat Sci, Taoyuan, 32003, Taiwan

[3] Univ Pannonia, Dept Comp Sci & Syst Technol, H-8200 Veszprem, Hungary

来源：

19TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING | 2009年 / 26卷

关键词：

methanol decomposition; graph-theory; reaction pathways; independent pathways; acyclic combined pathways; REACTION ROUTE GRAPHS; GAS SHIFT REACTION; IMPROVED MICROKINETIC MODEL; METABOLIC PATHWAYS; REACTION NETWORKS; MECHANISMS; SYSTEM; COPPER; ALGORITHM;

D O I：

暂无

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

Catalytic partial oxidation of methanol (MD) plays a key role in hydrogen production, which is the desirable fuel for both proton exchange membrane and direct methanol fuel cell systems. Thus, the catalytic mechanisms, or pathways, of MD have lately been the focus of intense research interest. Recently, the feasible independent pathways (IPi's) have been reported on the basis of a set of highly plausible elementary reactions. Nevertheless, no feasible acyclic combined pathways (AP(i)'s) comprising IPi's have been reported. Such AP(i)'s can not be ignored in identifying dominant pathways.

引用

页码：1293 / 1298

页数：6

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