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

使用贵金属负载催化剂的多相催化在精细化工，制药和农化工业中经常使用。催化剂的化学配方及其物理结构决定了催化剂的催化性能。特别是，催化剂需要有良好的活性，但更重要的是，高选择性，以尽量减少副产物的产生。面临的挑战是，虽然催化剂性能可以在开发阶段在实验规模上进行优化，但在工业生产条件下使用时，催化剂的性能会恶化。这是因为当催化剂在反应器环境和工业工艺条件下使用时，决定化学物质如何进出催化剂以及催化剂内部的物理过程发生了变化。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来绘制化学转化的空间图以及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。这种程度的理解有可能改变我们为工业过程设计“更环保”和更有效的催化剂的能力。

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.