METHOXY MOBILITY AND METHANE FORMATION ON THE ALUMINA SUPPORT

被引：12

作者：

ANDERSON, AB

JEN, SF

机构：

[1] Chemistry Department, Case Western Reserve University, Cleveland

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1991年 / 95卷 / 20期

关键词：

D O I：

10.1021/j100173a045

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 mobility of OCH3 and H and their reaction to form CH4 on alumina are analyzed by using the atom superposition and electron delocalization molecular orbital (ASED-MO) theory. Theoretical evidence is given that OCH3, which is known to spill over from supported Ni and Pt to the alumina support, moves as an anion, OCH3-, from one Al3+ site to another, paired with a proton which moves from one O2- site to another. The reaction of this heterolytically adsorbed pair to form CH4(g) is calculated to be more stabilizing than CH3OH(g) formation. Our findings provide a possible explanation for recent experimental observations of others regarding CO methanation over Ni/Al2O3 and Pt/Al2O3.

引用

页码：7792 / 7795

页数：4

共 52 条

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