Phrasic(FeSb2O\_4\)和Triuhite(FeSbO\_4)的热力学

IF 1.2 4区 地球科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Physics and Chemistry of Minerals Pub Date : 2023-08-05 DOI:10.1007/s00269-023-01249-2
Juraj Majzlan, Marek Tuhý, Edgar Dachs, Artur Benisek
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引用次数: 0

摘要

本文研究了合成的沙法芝石(FeSb2O \(_4\))和三辉石(FeSbO \(_4\))的热力学性质。低温热容(\(C_p\))由松弛量热法测定。根据这些数据,计算出第三定律熵分别为\(110.7\pm 1.3\) J mol \(^{-1}\) K \(^{-1}\) (tripuhyite)和\(187.1\pm 2.2\) J mol \(^{-1}\) K \(^{-1}\) (schafarzikite)。利用之前公布的两个相的\(\Delta _fG^o\)值,我们计算出它们的\(\Delta _fH^o\)为:tripuhyite为\(-947.8\pm 2.2\), schafarzikite为\(-1061.2\pm 4.4\)。数据集的准确性通过熵估计和从估计的晶格能量(通过kapusstinskii方程)计算\(\Delta _fH^o\)来测试。使用Kieffer \(C_p\)模型,将声波和光学模式的频率外推到\(T = 700\) K,从而增加了\(T = 300\) K以上的\(C_p\)测量值。本文计算了三辉石、沙法子石和若干相关相的平衡常数(\(\log K\)),并以一种可用于常用地球化学代码的格式给出。计算表明,在\(T = 298.15\) K. Schafarzikite和水热锑氧化物(valentinite、kermesite和senarmonite)可以通过氧化溶解和原有辉锑矿的再活化形成,在pH-p \(\epsilon\)条件下具有广泛的稳定场。
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Thermodynamics of schafarzikite (FeSb2O\(_4\)) and tripuhyite (FeSbO\(_4\))

In this work, we investigated the thermodynamic properties of synthetic schafarzikite (FeSb2O\(_4\)) and tripuhyite (FeSbO\(_4\)). Low-temperature heat capacity (\(C_p\)) was determined by relaxation calorimetry. From these data, third-law entropy was calculated as \(110.7\pm 1.3\) J mol\(^{-1}\)K\(^{-1}\) for tripuhyite and \(187.1\pm 2.2\) J mol\(^{-1}\) K\(^{-1}\) for schafarzikite. Using previously published \(\Delta _fG^o\) values for both phases, we calculated their \(\Delta _fH^o\) as \(-947.8\pm 2.2\) for tripuhyite and \(-1061.2\pm 4.4\) for schafarzikite. The accuracy of the data sets was tested by entropy estimates and calculation of \(\Delta _fH^o\) from estimated lattice energies (via Kapustinskii equation). Measurements of \(C_p\) above \(T = 300\) K were augmented by extrapolation to \(T = 700\) K with the frequencies of acoustic and optic modes, using the Kieffer \(C_p\) model. A set of equilibrium constants (\(\log K\)) for tripuhyite, schafarzikite, and several related phases was calculated and presented in a format that can be employed in commonly used geochemical codes. Calculations suggest that tripuhyite has a stability field that extends over a wide range of pH-p\(\epsilon\) conditions at \(T = 298.15\) K. Schafarzikite and hydrothermal oxides of antimony (valentinite, kermesite, and senarmontite) can form by oxidative dissolution and remobilization of pre-existing stibnite ores.

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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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