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Modelling of the supported ionic-liquid-Phase (SILP) catalyst system

负载型离子液相 (SILP) 催化剂体系的建模

基本信息

批准号：
29323729
负责人：
Professor Dr.-Ing. Wolfgang Arlt
金额：
--
依托单位：
Lehrstuhl für Thermische Verfahrenstechnik (TVT)
依托单位国家：
德国
项目类别：
Priority Programmes
财政年份：
2006
资助国家：
德国
起止时间：
2005-12-31 至 2013-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/29323729?language=en
关键词：
Modelling supported ionic liquid Phase

项目摘要

Ionic Liquid Phase (SILP) catalyst systems are solid catalysts consisting of an ionic liquid film in the size of a diffusion layer with a homogeneously dissolved catalyst (transition-metal complex) confined on the surface of a porous, high-area support material. The ionic liquid is held on the surface area by physisorption, tethering, or covalent anchoring. This proposal focuses on physisorption of the IL. The research goal is the modeling of this reaction. As the model system no.1, the hydrogenation of propen to propane has been chosen. This reaction is of no industrial significance but includes only apolar substances being easy to represent in a thermodynamical system. Further, the products cannot react with each other so no side products are expected. For the 2nd period of this joint research programme (year 4-6) the developed methodology will be extented to polar systems like the hydroformylation, where polar and non-polar compounds are involved and side reaction are known. The present state-of-art is a rough overall kinetic expression which includes the partial pressure of the hydrogen but the IL and thermodynamical aspects are neglected. This proposal models the solubility of the hydrogen and the propen in the IL and the dissolution rate of the product propane. A 1st question to be answered is whether the surface of the support changes the nature of the IL. The 2nd step is the modeling of the homogeneous reaction on the basis of activities (not concentrations). After this tool has been set-up, the chemical nature of the IL can be adopted to the reaction. It should dissolve the reactants and not dissolve the products thus forcing the reaction to run at maximum speed. In addition, the reaction of products to side-products will be avoided by a quick dissolution. Such a model can be easily adopted to other important SILP reactions.

离子液体相(SILP)催化剂体系是由扩散层大小的离子液膜和均匀溶解的催化剂(过渡金属络合物)限制在多孔高面积载体材料的表面组成的固体催化剂。离子液体通过物理吸附、系留或共价锚定保持在表面积上。这项建议侧重于对IL的物理吸附。研究的目标是对这一反应进行建模。选择丙烯加氢制丙烷作为1号模型系统。这个反应没有工业意义，但只包括非极物质，这些物质很容易在热力学系统中表示。此外，这些产品不能相互反应，因此不会产生副产品。在该联合研究方案的第二阶段(第4-6年)，开发的方法将扩展到氢甲酰化等极性体系，其中涉及极性和非极性化合物，并已知副反应。目前的研究现状是一个粗略的整体动力学表达式，其中包含氢的分压，但忽略了IL和热力学方面的内容。该方案模拟了氢和丙烯在IL中的溶解度和产物丙烷的溶解速度。第一个要回答的问题是，支撑物的表面是否改变了IL的性质。第二步是根据活性(而不是浓度)对均相反应进行建模。在设置好该工具后，可以将IL的化学性质应用于反应。它应该溶解反应物，而不是溶解产物，从而迫使反应以最大速度进行。此外，快速溶解可避免产物与副产物的反应。该模型可以方便地应用于其他重要的SILP反应。