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基于代理的费托合成催化剂加速发现

Proxy-based accelerated discovery of Fischer-Tropsch catalysts.

作者信息

Boldrin Paul, Gallagher James R, Combes Gary B, Enache Dan I, James David, Ellis Peter R, Kelly Gordon, Claridge John B, Rosseinsky Matthew J

机构信息

Department of Chemistry , University of Liverpool , L69 7ZD , UK . Email:

Johnson Matthey PLC , P. O. Box 1, Belasis Avenue, Billingham , Cleveland , TS23 1LB , UK.

出版信息

Chem Sci. 2015 Feb 1;6(2):935-944. doi: 10.1039/c4sc02116a. Epub 2014 Oct 1.

Abstract

Development of heterogeneous catalysts for complex reactions such as Fischer-Tropsch synthesis of fuels is hampered by difficult reaction conditions, slow characterisation techniques such as chemisorption and temperature-programmed reduction and the need for long term stability. High-throughput (HT) methods may help, but their use has until now focused on bespoke micro-reactors for direct measurements of activity and selectivity. These are specific to individual reactions and do not provide more fundamental information on the materials. Here we report using simpler HT characterisation techniques (XRD and TGA) along with ageing under Fischer-Tropsch reaction conditions to provide information analogous to metal surface area, degree of reduction and thousands of hours of stability testing time for hundreds of samples per month. The use of this method allowed the identification of a series of highly stable, high surface area catalysts promoted by Mg and Ru. In an advance over traditional multichannel HT reactors, the chemical and structural information we obtain on the materials allows us to identify the structural effects of the promoters and their effects on the modes of deactivation observed.

摘要

用于诸如费托合成燃料等复杂反应的多相催化剂的开发受到困难的反应条件、诸如化学吸附和程序升温还原等缓慢的表征技术以及对长期稳定性的需求的阻碍。高通量(HT)方法可能会有所帮助,但迄今为止,它们的使用主要集中在用于直接测量活性和选择性的定制微反应器上。这些微反应器特定于个别反应,无法提供关于材料的更基本信息。在此,我们报告使用更简单的高通量表征技术(XRD和TGA)以及在费托反应条件下进行老化处理,以提供类似于金属表面积、还原度的信息,以及每月为数百个样品提供相当于数千小时稳定性测试时间的信息。使用这种方法能够识别出一系列由Mg和Ru促进的高稳定性、高表面积催化剂。与传统的多通道高通量反应器相比,我们获得的关于材料的化学和结构信息使我们能够识别促进剂的结构效应及其对观察到的失活模式的影响。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7e69/5811142/4bbc541fbf1c/c4sc02116a-f1.jpg

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