Probing the Interactions between Cresol Isomers and Brønsted Acid sites for Biomass Conversion using Zeolites

The purpose of this proposal is to gather INS spectra of p- and m-cresol (chosen as they exhibit the largest difference in molecular dimension) upon adsorption into HZSM5 (Si/Al = 10.5, 140), HY (Si/Al = 2.55, 40), and HBEA (Si/Al =12.5, 180). Data gathered will illustrate the influence of trends in zeolite acidity, pore size, and molecular shape on the interaction between cresols and Brønsted sites. The study will not only help direct the optimisation of future catalysts but also help to parameterise classical models, all of which will play a key role in future processes pertaining to biomass utilisation.

本研究提案旨在获取对甲酚（p-cresol）与间甲酚（m-cresol，选取二者是因其分子尺寸差异最为显著）吸附至HZSM-5、HY及HBEA三种沸石后的非弹性中子散射谱（Inelastic Neutron Spectroscopy，INS）数据，其中HZSM-5的硅铝比（Si/Al）分别为10.5与140，HY为2.55与40，HBEA为12.5与180。所获数据将阐明沸石酸度、孔径与分子形状的变化趋势对甲酚与布朗斯台德酸位点（Brønsted acid sites）之间相互作用的影响。本研究不仅可为未来催化剂的优化提供指导，还可用于经典模型的参数化工作，上述成果将在未来涉及生物质利用的相关工艺中发挥关键作用。