Maximise equilibrium conversion in biphasic catalysed reactions: Mathematical description and practical guideline
Maximise equilibrium conversion in biphasic catalysed reactions: Mathematical description and practical guideline
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DOI：
10.1002/adsc.200606079
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发表时间：
2006-08-01
影响因子：
5.4
通讯作者：
Greiner, Lasse
中科院分区：
文献类型：
--
作者：
Eckstein, Marrit F.;Peters, Martina;Greiner, Lasse
对于催化两相反应体系，什么是最佳溶剂组合，以使平衡转化率最大化？哪种相体积比和化学计量比能使转化率最大化？使用不同的两相反应混合物可以获得哪种产物产率？这些问题是必不可少的，因为优化只能在严格规定的边界内进行。在本文中，我们介绍了一个数学表达式来计算和预测的平衡转化率和产品收率在两相反应混合物只有一个反应相。该数学表达式允许关于最大转化率和产物产率的双相实验的省时设计。在不同的两相反应条件下，从底物偶联的乙醇脱氢酶催化还原得到的实验数据的计算进行了验证。
What is the best solvent combination for a catalytic biphasic reaction system to maximise equilibrium conversion? And which phase volume ratio and reaction stoichiometry maximises the conversion? Which product yield can be obtained using a distinct biphasic reaction mixture? These questions are essential, as optimisation can only be carried out within the thermodynamically imposed boundaries. Within this paper we introduce a mathematical expression to calculate and predict equilibrium conversion and product yield in biphasic reaction mixtures with only one reactive phase. This mathematical expression allows a time-saving design of biphasic experiments with respect to maximum conversion and product yield. The calculations were verified by experimental data obtained from a substrate-coupled alcohol dehydrogenase-catalysed reduction under different biphasic reaction conditions.