Spectroscopic investigations of hydrocarbon transformations in zeolites

该项目将着眼于一系列碳氢化合物转化中使用的沸石催化剂的失活，例如(I)甲醇制烯烃反应和(Ii)催化裂化(FCC)操作中烯烃生产的升级。最初的工作将利用位于格拉斯哥大学的催化剂测试设备，该设备将用于表征稳态运行和失活状态下的工业级沸石。随后的中子研究将使用INS来确定保留在沸石孔道网络中的试剂/产品的性质和形式。QENS将提供有关试剂/产品的扩散特性的信息，以及适当选择的探针分子。QENS的结果将与基于分子动力学的模拟进行比较，以更好地了解底物/吸附物相互作用的动力学，最终决定选择性分布和催化剂寿命。此外，还将探讨中子成像技术的最新进展是否适用于评估催化剂失活/再生策略。

The project will look at deactivation of zeolite catalysts utilised in a range of hydrocarbon transformations, e.g. (i) the methanol-to-olefin reaction and (ii) the up-grading of olefin production at fluidised catalytic cracking (FCC) operations. Initial work will make use of a catalyst test facility located at the University of Glasgow that will be used to characterise industrial grade zeolites under regimes of steady-state operation and deactivation. Subsequent neutron studies will use INS to define the nature and form of reagents/products retained within the zeolite pore network. QENS will provide information on the diffusion characteristics of reagents/products, as well as suitably selected probe molecules. The QENS outcomes will be compared against MD based simulations to better understand the dynamics of substrate/adsorbate interactions that, ultimately, dictate selectivity profiles and catalyst lifetime. Moreover, the suitability of recent advances in neutron imaging techniques to evaluate catalyst deactivation/regeneration strategies will also be explored.