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Designed Synthesis of Zeolites for Environmental and Biorenewables Catalysis

用于环境和生物可再生能源催化的沸石设计合成

基本信息

批准号：
EP/S016201/1
负责人：
Paul Wright
金额：
$ 58.46万
依托单位：
University of St Andrews
依托单位国家：
英国
项目类别：
Research Grant
财政年份：
2019
资助国家：
英国
起止时间：
2019 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=EP%2FS016201%2F1
关键词：
Designed Synthesis Zeolites Environmental Biorenewables

项目摘要

Heterogeneous catalysis plays a major role in the synthesis of commodity and fine chemicals, fuels and environmental protection for UK industry and aluminosilicate zeolites are the catalysts of choice for many important reactions in oil refining and petrochemical and automobile emission control. Uniquely among industrial solid catalysts, their performance is directly related to their bulk crystal structure, via important details of their pore structure and the chemical structure of their active sites, but synthesis of new materials has by and large relied on trial-and-error approaches. Our research hypothesis is that enough is now known about the synthesis of zeolites and their action as catalysts to plan and execute the preparation of novel active heterogeneous catalysts for selected expanding catalytic technologies.This ambitious research program spans structural design, hydrothermal synthesis and catalytic performance testing of zeolite catalysts. It will be facilitated by crystallography, atomistic modelling and in situ spectroscopic methods to predict and elucidate details of the mechanisms of crystallisation and of catalysis over targeted zeolites. The program will build on our recent advances in the design of hypothetical zeolite structures and the targeted preparation of novel zeolites, and in the in situ monitoring by solid state NMR, Raman and X-ray spectroscopies of zeolite preparation and of their catalytic reactions. These reactions are important for hydrocarbon generation from oxygenates and for the selective catalytic reduction (SCR) of unwanted nitrogen oxides with ammonia. The designed synthesis of new zeolites will target hypothetical frameworks that, under computational screening, show promise for SCR or for oxygenates-to-hydrocarbons. Initial studies will develop 'retrosynthetic', modelling-led, approaches to templating these structures, while extended studies will aim to extend these to devise upscalable, commercially viable approaches.The work will be performed in close collaboration with the UK's leading commercial catalyst company and will not only prepare novel catalysts with potential advantages of performance and patentability over current materials, but will also develop a fully-connected methodology for the synthesis of new catalysts embedded in a computational and in situ experimental framework for the study of the relationship between structure and catalytic function.

多相催化在英国工业的商品和精细化学品、燃料和环境保护的合成中发挥着重要作用，硅铝酸盐沸石是炼油、石化和汽车排放控制中许多重要反应的首选催化剂。在工业固体催化剂中独一无二的是，它们的性能通过其孔结构和活性位点的化学结构的重要细节与其块体晶体结构直接相关，但新材料的合成在很大程度上依赖于试错方法。我们的研究假设是，现在对沸石的合成及其作为催化剂的作用已经有了足够的了解，以计划和执行用于选定的扩展催化技术的新型活性多相催化剂的制备。这项雄心勃勃的研究计划涵盖沸石催化剂的结构设计、水热合成和催化性能测试。晶体学、原子建模和原位光谱方法将有助于预测和阐明目标沸石结晶和催化机制的细节。该计划将建立在我们在假设沸石结构设计和新型沸石定向制备以及通过固态核磁共振、拉曼和X射线光谱对沸石制备及其催化反应进行原位监测方面的最新进展的基础上。这些反应对于从含氧化合物生成碳氢化合物以及用氨选择性催化还原 (SCR) 不需要的氮氧化物非常重要。新型沸石的设计合成将针对假设的框架，在计算筛选下，该框架显示出 SCR 或含氧化合物转化为碳氢化合物的前景。初步研究将开发以建模为主导的“逆合成”方法来模板化这些结构，而扩展研究将旨在扩展这些方法，以设计出可升级的、商业上可行的方法。这项工作将与英国领先的商业催化剂公司密切合作进行，不仅会制备出比现有材料具有潜在性能和可专利性优势的新型催化剂，还将开发一种用于合成新材料的完全连接的方法。嵌入计算和原位实验框架的催化剂，用于研究结构和催化功能之间的关系。

项目成果

期刊论文数量（4）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Understanding the Anion-Templated, OSDA-Free, Interzeolite Conversion Synthesis of High Silica Zeolite ZK-5.

DOI：
10.1002/chem.202201689
发表时间：
2022-10-07
期刊：
CHEMISTRY-A EUROPEAN JOURNAL
影响因子：
4.3
作者：
Lozinska, Magdalena M.;Bruce, Elliott L.;Mattock, James;Chitac, Ruxandra G.;Cox, Paul A.;Turrina, Alessandro;Wright, Paul A.
通讯作者：
Wright, Paul A.

Site-Specific Iron Substitution in STA-28, a Large Pore Aluminophosphate Zeotype Prepared by Using 1,10-Phenanthrolines as Framework-Bound Templates

STA-28（一种使用 1,10-菲咯啉作为框架结合模板制备的大孔铝磷酸盐 Zeotype）中的位点特异性铁取代