多晶X射线衍射Rietveld方法在石油炼制与化工催化剂研究中的应用  

Application of Rietveld Method of Powder X-Ray Diffraction in the Research ofPetroleum Refining and Chemical Catalysts

作　　者：付颖 忻睦迪 黄南贵 邱丽美 徐广通 FU Ying;XIN Mudi;HUANG Nangui;QIU Limei;XU Guangtong(SINOPEC Research Institute of Petroleum Processing Co.,Ltd.,Beijing 100083,China)

机构地区：[1]中石化石油化工科学研究院有限公司,北京100083

出　　处：《石油学报（石油加工）》2024年第5期1397-1408,共12页Acta Petrolei Sinica(Petroleum Processing Section)

基　　金：中国石油化工股份有限公司项目(CLY23035)基金资助。

摘　　要：在石油化工领域,多晶X射线衍射Rietveld方法(简称Rietveld方法)是一种有效且应用广泛地研究催化剂晶体结构的分析方法。简要介绍了Rietveld方法的基本原理、判据及常用的软件,并结合实例重点从催化剂定量相分析和分子筛骨架外阳离子的定位2方面综述了近年来Rietveld方法在石油炼制与化工催化剂研究领域中的应用,总结了利用Rietveld方法进行定量相分析和测定晶体结构的步骤、注意事项及适用范围,最后对Rietveld方法在与电子衍射、计算化学和原位表征相结合以及软硬件技术升级等方面的发展前景进行了展望。In the petrochemical field,Rietveld method of powder X-ray diffraction(Rietveld method for short)is an efficient and widely used analytical method for crystal structures of catalytic materials.The basic principles,criteria and common software of Rietveld methodare briefly introduced.Combined with examples,the applications of Rietveld method in petroleum refining and chemical catalysts research in recent years are reviewed mainly from two aspects,including quantitative phase analysis of catalysts and cation location of zeolite.Further,the steps,precautions and application scope of Rietveld method for quantitative phase analysis and crystal structure determination are summarized herein.Finally,the development prospects of Rietveld method combined with electron diffraction,computational chemistry and in situ characterization,as well as software and hardware technology upgrades are prospected.

关 键 词：多晶X射线衍射 RIETVELD方法 石油化工催化剂 分子筛 定量相分析 阳离子定位 

分 类 号：TE622[石油与天然气工程—油气加工工程]