Spectroscopic investigations of hydrocarbon transformations in zeolites

该项目将研究用于一系列碳氢化合物转化的沸石催化剂的失活，例如（i）甲醇转化为烯烃的反应和（ii）流化催化裂化（FCC）操作中烯烃生产的升级。初步工作将利用位于格拉斯哥大学的催化剂试验设施，该设施将用于在稳态操作和失活制度下对工业级沸石进行催化剂改性。随后的中子研究将使用INS来定义保留在沸石孔网络内的试剂/产物的性质和形式。QENS将提供关于试剂/产品的扩散特性以及适当选择的探针分子的信息。QENS结果将与基于MD的模拟进行比较，以更好地了解底物/吸附物相互作用的动态，最终决定选择性曲线和催化剂寿命。此外，中子成像技术的最新进展，以评估催化剂失活/再生策略的适用性也将进行探讨。

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.