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基于体积的热弹性:(近)等温压缩性与晶胞体积成正比的后果。

Volume-based thermoelasticity: consequences of the (near) proportionality of isothermal compressibility to formula-unit volume.

机构信息

Department of Chemistry, University of Warwick, Coventry, CV4 7AL, United Kingdom.

出版信息

Inorg Chem. 2010 Nov 1;49(21):9978-84. doi: 10.1021/ic101398g.

Abstract

Groups of structurally related materials, including the alkali halides, exhibit a proportionality of isothermal compressibility to formula-unit volume. The relationship has recently been explored by Glasser and by Recio et al. In this paper, we present the consequences of such proportionality on the relationships of Born-Landé and Born-Mayer parameters to the formula-unit volume. These relationships have then been tested separately on (i) alkali (excluding cesium) halides and (ii) cesium halides. We conclude that the equations fit the NaCl-type materials satisfactorily, but less well for the CsCl-type materials, and that the Born-Mayer equation is more applicable. These results confirm the conclusion that volume is intimately linked to thermodynamic quantities, as already demonstrated by our development of volume-based thermodynamics (VBT).

摘要

结构相关的材料组,包括碱金属卤化物,表现出等温和单位体积压缩率的比例关系。最近,Glasser 和 Recio 等人对此关系进行了探讨。在本文中,我们介绍了这种比例关系对Born-Landé 和 Born-Mayer 参数与单位体积关系的影响。然后,我们分别对(i)碱(不包括铯)卤化物和(ii)铯卤化物进行了测试。我们得出结论,这些方程对 NaCl 型材料的拟合令人满意,但对 CsCl 型材料的拟合较差,且 Born-Mayer 方程的适用性更强。这些结果证实了体积与热力学量密切相关的结论,正如我们通过发展基于体积的热力学(VBT)所证明的那样。

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