利用x射线衍射模型对所制备沸石的空隙和空腔进行了测量

Maha A. Abdulwahhab, H. A. Lafta, Zainab Diah
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引用次数: 0

摘要

以伊拉克高岭土为原料,采用孤立凝胶法制备了沸石。沸石的特殊结构性质使得用x射线衍射(XRD)评价其单晶特性变得困难。利用XRD对CrystalMaker软件进行了晶体几何性质估计和可视化的结构分析,并用Maud软件进行了Rietveld细化技术的晶体图案模拟。本文介绍了Crystal Maker软件套件,该软件包括晶体和分子结构的可视化、建模和衍射模拟模块程序。探索了该程序的基本推理,并为晶体化学和分子动力学的教学和研究提供了各种应用。
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Void space and cavity measurement of the prepared zeolite y using X-ray diffracting modelling
Zeolite was synthesized using a solitary gel technique with Iraqi kaoline. Zeolite 's specific structural nature makes it difficult to use X-ray diffraction (XRD) to evaluate a single  crystalline characteristic. Structural analysis to estimation and visualization of one crystal geometric properties by CrystalMaker software was carried out using XRD and the simulation of a crystal pattern using a Rietveld refinement technique using Maud software. This paper describes the Crystal Maker software suite, which includes the visualization, modelling and diffraction simulation of modular programs for crystal and molecular structures. The fundamental reasoning for the program is explored and a variety of applications are given for teaching and research in crystal chemistry and molecular dynamics.
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