Unraveling the role of support surface hydroxyls and its effect on the selectivity of C2 species over Rh/γ-Al2O3 catalyst in syngas conversion: A theoretical study
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- 作者：Riguang Zhang ; Tian Duan ; Baojun Wang ; wangbaojun@tyut.edu.cn" class="auth_mail" title="E-mail the corresponding author ; quantumtyut@126.com" class="auth_mail" title="E-mail the corresponding author ; Lixia Ling
- 关键词：Rh/γ-Al2O3 ; Syngas conversion ; Hydroxylation ; C2 oxygenates ; C2 hydrocarbons ; Density functional theory
- 刊名：Applied Surface Science
- 出版年：2016
- 出版时间：30 August 2016
- 年：2016
- 卷：379
- 期：Complete
- 页码：384-394
- 全文大小：4130 K
文摘
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The selectivity toward CHx (x = 1–3) depends on γ-Al2O3 support and its surface properties.
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Rh/γ-Al2O3 catalyst exhibits the higher selectivity toward CHx (x = 1,2) formation from syngas.
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C2 species (C2H2,CHCO,CH2CHO) are the main products on Rh/γ-Al2O3 catalyst.
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γ-Al2O3 surface hydroxyls affect the selectivity of C2 species over Rh/γ-Al2O3 catalyst.