Determination of P–V equation of state of a natural clinoptilolite using high-pressure powder synchrotron X-ray diffraction

IF 1.2 4区 地球科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY
Andrew C. Strzelecki, Stella Chariton, Cody B. Cockreham, Michael T. Pettes, Vitali Prakapenka, Bethany A. Chidester, Di Wu, Chris R. Bradley, Garrett G. Euler, Xiaofeng Guo, Hakim Boukhalfa, Hongwu Xu
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引用次数: 1

Abstract

Characterization of the behavior of zeolites at high pressures is of interest both in fundamental science and for practical applications. For example, zeolites occur as a major mineral group in tuffaceous rocks (such as those at the Nevada Nuclear Security Site), and they play a key role in defining the high-pressure behavior of tuff in a nuclear explosion event. The crystal structure, Si/Al ratio, and type of pressure-transmitting media (PTM) used in high-pressure experiments influence the compressional behavior of a given zeolitic phase. The heulandite-type (HEU) zeolites, including heulandite and clinoptilolite, are isostructural but differ in their Si/Al ratios. Thus, HEU-type zeolites comprise an ideal system in unraveling the effects of Si/Al ratio and type of PTM on their pressure-induced structural behavior. In this study, we performed in situ high-pressure angle-dispersive powder synchrotron X-ray diffraction (XRD) experiments on a natural HEU zeolite, clinoptilolite, with a Si/Al ratio of 4.4, by compressing it in a diamond anvil cell (DAC) up to 14.65 GPa using a non-penetrating pressure-transmitting medium (KCl). Unit cell parameters as a function of pressure up to 9.04 GPa were obtained by Rietveld analysis. Unit cell volumes were fit to both a second and a third-order Birch–Murnaghan equation of state. The mean bulk modulus (K0) determined from all the fittings is 32.7 ± 0.9 GPa. The zero-pressure compressibility of the a-, b-, and c-axes for clinoptilolite are 10.6 (± 0.8) × 10–3 GPa–1, 5.3 (± 0.7) × 10–3 GPa–1, and 17.1 (± 1.8) × 10–3 GPa–1, respectively. The pressure–volume equations of states of this type of zeolite are important for characterizing high-pressure behavior of the broader family of microporous materials and for developing reliable geophysical signatures for underground nuclear monitoring.

Abstract Image

用高压粉末同步x射线衍射测定天然斜发沸石的P-V状态方程
高压下沸石行为的表征在基础科学和实际应用中都具有重要意义。例如,沸石是凝灰岩(如内华达州核安全场址的凝灰岩)中的主要矿物群,它们在确定核爆炸事件中凝灰岩的高压行为方面起着关键作用。高压实验中使用的晶体结构、Si/Al比和传压介质(PTM)类型会影响给定沸石相的压缩行为。HEU型沸石(HEU)包括heulanite和斜沸石,它们是等结构沸石,但硅铝比不同。因此,高浓铀型沸石是揭示硅铝比和PTM类型对其压力诱导结构行为影响的理想体系。在本研究中,我们对Si/Al比为4.4的天然高浓沸石斜沸石进行了原位高压角色散粉末同步x射线衍射(XRD)实验,使用非穿透性传压介质(KCl)将其压缩到14.65 GPa的金刚石顶石(DAC)中。通过Rietveld分析,得到了压力为9.04 GPa时的单胞参数函数。单元胞体积同时符合二阶和三阶Birch-Murnaghan状态方程。由所有接头测定的平均体积模量(K0)为32.7±0.9 GPa。斜沸石a轴、b轴和c轴的零压可压缩性分别为10.6(±0.8)× 10-3 GPa-1、5.3(±0.7)× 10-3 GPa-1和17.1(±1.8)× 10-3 GPa-1。这种类型的沸石的压力-体积状态方程对于表征更广泛的微孔材料家族的高压行为以及为地下核监测开发可靠的地球物理特征具有重要意义。
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来源期刊
Physics and Chemistry of Minerals
Physics and Chemistry of Minerals 地学-材料科学:综合
CiteScore
2.90
自引率
14.30%
发文量
43
审稿时长
3 months
期刊介绍: Physics and Chemistry of Minerals is an international journal devoted to publishing articles and short communications of physical or chemical studies on minerals or solids related to minerals. The aim of the journal is to support competent interdisciplinary work in mineralogy and physics or chemistry. Particular emphasis is placed on applications of modern techniques or new theories and models to interpret atomic structures and physical or chemical properties of minerals. Some subjects of interest are: -Relationships between atomic structure and crystalline state (structures of various states, crystal energies, crystal growth, thermodynamic studies, phase transformations, solid solution, exsolution phenomena, etc.) -General solid state spectroscopy (ultraviolet, visible, infrared, Raman, ESCA, luminescence, X-ray, electron paramagnetic resonance, nuclear magnetic resonance, gamma ray resonance, etc.) -Experimental and theoretical analysis of chemical bonding in minerals (application of crystal field, molecular orbital, band theories, etc.) -Physical properties (magnetic, mechanical, electric, optical, thermodynamic, etc.) -Relations between thermal expansion, compressibility, elastic constants, and fundamental properties of atomic structure, particularly as applied to geophysical problems -Electron microscopy in support of physical and chemical studies -Computational methods in the study of the structure and properties of minerals -Mineral surfaces (experimental methods, structure and properties)
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