Solvent effects in the hydrogenation of 2-butanone
Solvent effects in the hydrogenation of 2-butanone
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DOI：
10.1016/j.jcat.2012.01.011
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发表时间：
2012-05-01
影响因子：
7.3
通讯作者：
Rooney, D. W.
中科院分区：
文献类型：
--
作者：
Akpa, B. S.;D'Agostino, C.;Rooney, D. W.
在液相反应体系中，溶剂的作用通常限于溶解和/或稀释底物的简单要求。然而，正确的选择，无论是纯的还是混合的，都会显著影响反应速率和选择性。对于多相非均相催化反应，观察到的变化可能是由于传质速率、反应机理、反应动力学、吸附性质及其组合的变化。例如，当改变水/异丙醇（IPA）溶剂比时，在Ru/SiO2催化剂上将2-丁酮液相氢化成2-丁醇显示出这种复杂的速率行为。在本文中，我们概述了一种策略，结合测量速率数据的物理性质测量和分子模拟，以获得更根本的理解混合溶剂的影响，这种非均相催化反应。通过结合这些技术，所观察到的复杂的行为率对水的分数被证明是传质和化学效应的组合。(C)2012 Elsevier Inc. All rights reserved.
In liquid-phase reaction systems, the role of the solvent is often limited to the simple requirement of dissolving and/or diluting substrates. However, the correct choice, either pure or mixed, can significantly influence both reaction rate and selectivity. For multi-phase heterogeneously catalysed reactions observed variations may be due to changes in mass transfer rates, reaction mechanism, reaction kinetics, adsorption properties and combinations thereof. The liquid-phase hydrogenation of 2-butanone to 2-butanol over a Ru/SiO2 catalyst, for example, shows such complex rate behaviour when varying water/isopropyl alcohol (IPA) solvent ratios. In this paper, we outline a strategy which combines measured rate data with physical property measurements and molecular simulation in order to gain a more fundamental understanding of mixed solvent effects for this heterogeneously catalysed reaction. By combining these techniques, the observed complex behaviour of rate against water fraction is shown to be a combination of both mass transfer and chemical effects. (C) 2012 Elsevier Inc. All rights reserved.