Scaling up from bench-scale chemistry to continuous catalytic process using in situ magnetic resonance imaging

使用贵金属负载的催化剂的多相催化通常用于精细化工、制药和农业化学工业。给定催化剂的化学配方及其物理结构决定其催化性能。特别地，催化剂需要具有良好的活性，但更重要的是，高选择性，使得副产物的产生最小化。挑战在于，虽然在开发阶段可以在实验室规模上优化催化剂性能，但在工业工艺条件下使用时，催化剂的性能会劣化。这是因为当催化剂用于反应器环境和工业工艺条件时，决定化学物质如何移入和移出催化剂以及实际上在催化剂内的物理过程发生变化。该项目的目的是应用我们小组开发的新的磁共振成像测量方法，在空间上绘制化学转化率和分子随催化剂和反应器移动的速率，并使用这些数据来了解这些因素如何影响反应的选择性。这种理解水平有可能改变我们为工业过程设计“更环保”和更高效催化剂的能力。

Heterogeneous catalysis using precious metal supported catalysts is used routinely across the fine chemical, pharmaceutical and agrochemical industries. The chemical formulation of a given catalyst and its physical structure determine its catalytic performance. In particular, the catalyst needs to have good activity but, more importantly, high selectivity so that the production of side-products is minimised. The challenge is that while catalyst properties can be optimised at bench-scale in the development phase, the performance of the catalyst deteriorates when it is used under industrial process conditions. This is because the physical processes determining how chemical species move into and out of the catalyst, and indeed within the catalyst, change when the catalyst is used in the reactor environment and at industrial process conditions. The aim of this project is to apply the new magnetic resonance imaging measurements developed in our group to spatially map chemical conversion and the rate at which molecules move with the catalyst and reactor and to use these data to understand how these factors influence the selectivity of the reaction. This level of understanding has the potential to transform our ability to design 'greener' and more efficient catalysts for industrial processes.