A new insight into Fischer-Tropsch synthesis

被引：162

作者：

Liu, ZP ^{[1
]}

Hu, P ^{[1
]}

机构：

[1] Queens Univ Belfast, Sch Chem, Belfast BT9 SAG, Antrim, North Ireland

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2002年 / 124卷 / 39期

关键词：

D O I：

10.1021/ja012759w

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Fischer-Tropsch (FT) reaction is an important synthetic route to convert CO and H2 to fuels and chemicals in industry. To date, its reaction mechanism remains uncertain. With extensive density functional theory studies on FT reactions on Ru, we compare quantitatively several C/C coupling mechanisms that are likely to be involved. We found that a well-regarded CH2 + CH2R (R = H or alkyl) mechanism possesses high reaction barriers, and a stepwise C + CR mechanism has been identified that may be relevant to FT synthesis. Copyright © 2002 American Chemical Society.

引用

页码：11568 / 11569

页数：2

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