A comprehensive study of the heat capacity of CsF from T=5 K to T=1400 K

被引：12

作者：

Benes, O. ^{[1
]}

Konings, R. J. M. ^{[1
]}

Sedmidubsky, D. ^{[2
]}

Beilmann, M. ^{[1
]}

Valu, O. S. ^{[1
]}

Capelli, E. ^{[1
]}

Salanne, M. ^{[3
,4
]}

Nichenko, S. ^{[1
]}

机构：

[1] European Commiss, Joint Res Ctr, Inst Transuranium Elements, D-76125 Karlsruhe, Germany

[2] Inst Chem Technol, Prague 16626 6, Czech Republic

[3] Univ Paris 06, UMR 7612, LI2C, F-75005 Paris, France

[4] CNRS, F-75005 Paris, France

来源：

JOURNAL OF CHEMICAL THERMODYNAMICS | 2013年 / 57卷

关键词：

Heat capacity; Enthalpy; Fluorides; Fission product; SCHOTTKY DEFECTS; ALKALI-HALIDES; ENTHALPY; CRYSTALS; DYNAMICS; ENERGY;

D O I：

10.1016/j.jct.2012.08.003

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

In this study, we present new experimental heat capacity data of solid and liquid phase of CsF covering the temperature range from 5 K to 1400 K. The low temperature data were obtained by adiabatic calorimetry and compared with the theoretical heat capacity computed from ab initio harmonic crystal approximation. The absolute entropy at T = 298.15 K determined based on the presented results is 93: 60 J . K-1 . mol(-1). The high temperature heat capacity was measured using a drop calorimeter and the data for the solid phase revealed significant excess properties. The data for the liquid phase were correlated with the molecular dynamic simulation obtaining a good agreement. The recommended molar heat capacity of the CsF solid phase is: C-p,C-m (J . K-1 .mol(-1)) 24.291 + 6.4607 . 10(-2) . (T/K) + 589981 . (T/K)(-2) J . K-1 . mol(-1) and the one of the liquid phase was determined as: C-p,C-m 70.56 J . K-1 . mol(-1). From the calorimetric results the enthalpy of fusion of CsF was determined as: Delta H-fus = 22.1 +/- 2.0 kJ . mol(-1). (C) 2012 Published by Elsevier Ltd.

引用

页码：92 / 100

页数：9

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