First-principles mechanistic study of ring hydrogenation and deoxygenation reactions of eugenol over Ru(0001) catalysts

Matej Hu?; Ana Bjeli?; Miha Grilc; Bla? Likozar

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First-principles mechanistic study of ring hydrogenation and deoxygenation reactions of eugenol over Ru(0001) catalysts

机译：Ru（0001）催化剂中丁醇环氢化和丁氧化反应的第一原理力学研究

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?Hydrodeoxygenation of ligno-cellulosic biomass is an important valorization route.

?Ru/C catalysts allows deoxygenation and ring saturation.

?Ring saturation proceeds readily, while deoxygenation is a rate-determining step.

?Surface diffusion and catalyst poisoning are not relevant for kinetics.

Abstract

Catalytic hydrogenation and deoxygenation reactions of ligno-cellulosic (LC) biomass resources are the main valorisation routes of bio-based oxygenates in bio-refineries. Eugenol is a model compound for lignin, which is besides cellulose and hemicellulose a major consti

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< CE：简单段ID =“SP0010”View =“全部”>

？木质纤维素生物量的加氢脱氧是一个重要的算法。

？ Ru / C催化剂允许脱氧和环饱和度。

？环饱和度很容易进行，而脱氧是一种速率确定步骤。

？表面扩散和催化剂中毒与动力学无关。 < / ce：简单 - 段>

摘要

Ligno的催化氢化和脱氧反应-Cellulosic（LC）生物质资源是生物炼油厂中生物含氧化合物的主要储度途径。丁烯醇是木质素的模型化合物，除了纤维素和半纤维素的主要刺激之外

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来源
《Journal of Catalysis》 |2018年第2018期|共11页
作者
Matej Hu?; Ana Bjeli?; Miha Grilc; Bla? Likozar;
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作者单位

Department of Catalysis and Chemical Reaction Engineering National Institute of Chemistry;

Department of Catalysis and Chemical Reaction Engineering National Institute of Chemistry;

Department of Catalysis and Chemical Reaction Engineering National Institute of Chemistry;

Department of Catalysis and Chemical Reaction Engineering National Institute of Chemistry;

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正文语种 eng
中图分类催化;
关键词
Biomass; Eugenol; Hydrodeoxygenation; Catalysis; Ruthenium; Density functional theory;

机译：生物量;丁香酚;加氢脱氧;催化;钌;密度函数理论;

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1. First-principles mechanistic study of ring hydrogenation and deoxygenation reactions of eugenol over Ru(0001) catalysts [J] . Matej Hu?, Ana Bjeli?, Miha Grilc, Journal of Catalysis . 2018,第期

机译：Ru（0001）催化剂中丁醇环氢化和丁氧化反应的第一原理力学研究
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3. Mechanistic insights into the effects of support on the reaction pathway for aqueous-phase hydrogenation of carboxylic acid over the supported Ru catalysts [J] . Lungang Chen, YuPing Li, Xinghua Zhang Applied Catalysis, A. General: An International Journal Devoted to Catalytic Science and Its Applications . 2014,第Null期

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First-principles mechanistic study of ring hydrogenation and deoxygenation reactions of eugenol over Ru(0001) catalysts

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