Crystal structure and thermochemical properties of phase change materials bis(1-octylammonium) tetrachlorochromate

doi:10.1088/1674-1056/21/8/080702

中国物理B ›› 2012, Vol. 21 ›› Issue (8): 80702-080702.doi: 10.1088/1674-1056/21/8/080702

Crystal structure and thermochemical properties of phase change materials bis(1-octylammonium) tetrachlorochromate

卢冬飞, 邸友莹, 何东华

Shandong Provincial Key Laboratory of Chemical Energy Storage and Novel Cell Technology, College of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, China

收稿日期:2011-11-29 修回日期:2012-02-20 出版日期:2012-07-01 发布日期:2012-07-01
基金资助:
Project supported by the National Natural Science Foundations of China (Grant Nos. 20673050 and 20973089).

Crystal structure and thermochemical properties of phase change materials bis(1-octylammonium) tetrachlorochromate

Lu Dong-Fei (卢冬飞), Di You-Ying (邸友莹), He Dong-Hua (何东华 )

Shandong Provincial Key Laboratory of Chemical Energy Storage and Novel Cell Technology, College of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, China

Received:2011-11-29 Revised:2012-02-20 Online:2012-07-01 Published:2012-07-01
Contact: Di You-Ying E-mail:diyouying@126.com, diyouying@lcu.edu.cn
Supported by:
Project supported by the National Natural Science Foundations of China (Grant Nos. 20673050 and 20973089).

摘要/Abstract

摘要： A new crystalline complex (C₈H₁₇NH₃)₂CdCl₄(s) (abbreviated as C₈Cd(s)) is synthesized by liquid phase reaction. The crystal structure and composition of the complex are determined by single crystal X-ray diffraction, chemical analysis, and elementary analysis. It is triclinic, the space group is P-1 and Z = 2. The lattice potential energy of the title complex is calculated to be U_POT (C₈Cd(s))=978.83 kJ·mol^-1 from crystallographic data. Low-temperature heat capacities of the complex are measured by a precision automatic adiabatic calorimeter over a temperature range from 78 K to 384 K. The temperature, molar enthalpy, and entropy of the phase transition for the complex are determined to be 307.3± 0.15 K, 10.15± 0.23 kJ·mol^-1, and 33.05± 0.78 J·K^-1·mol^-1 respectively for the endothermic peak. Two polynomial equations of the heat capacities each as a function of temperature are fitted by the least-square method. Smoothed heat capacity and thermodynamic functions of the complex are calculated based on the fitted polynomials.

关键词: bis(1-octylammonium) tetrachlorochromate, X-ray crystallography, phase change materials, low-temperature heat capacity, solid-solid phase transition

Abstract: A new crystalline complex (C₈H₁₇NH₃)₂CdCl₄(s) (abbreviated as C₈Cd(s)) is synthesized by liquid phase reaction. The crystal structure and composition of the complex are determined by single crystal X-ray diffraction, chemical analysis, and elementary analysis. It is triclinic, the space group is P-1 and Z = 2. The lattice potential energy of the title complex is calculated to be U_POT (C₈Cd(s))=978.83 kJ·mol^-1 from crystallographic data. Low-temperature heat capacities of the complex are measured by a precision automatic adiabatic calorimeter over a temperature range from 78 K to 384 K. The temperature, molar enthalpy, and entropy of the phase transition for the complex are determined to be 307.3± 0.15 K, 10.15± 0.23 kJ·mol^-1, and 33.05± 0.78 J·K^-1·mol^-1 respectively for the endothermic peak. Two polynomial equations of the heat capacities each as a function of temperature are fitted by the least-square method. Smoothed heat capacity and thermodynamic functions of the complex are calculated based on the fitted polynomials.

Key words: bis(1-octylammonium) tetrachlorochromate, X-ray crystallography, phase change materials, low-temperature heat capacity, solid-solid phase transition

中图分类号: (Cryogenics; refrigerators, low-temperature detectors, and other low-temperature equipment)

07.20.Mc

61.50.Ks (Crystallographic aspects of phase transformations; pressure effects) 67.25.bd (Thermodynamic properties)

卢冬飞, 邸友莹, 何东华 . Crystal structure and thermochemical properties of phase change materials bis(1-octylammonium) tetrachlorochromate[J]. 中国物理B, 2012, 21(8): 80702-080702.

Lu Dong-Fei (卢冬飞), Di You-Ying (邸友莹), He Dong-Hua (何东华 ). Crystal structure and thermochemical properties of phase change materials bis(1-octylammonium) tetrachlorochromate[J]. Chin. Phys. B, 2012, 21(8): 80702-080702.

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Crystal structure and thermochemical properties of phase change materials bis(1-octylammonium) tetrachlorochromate

Crystal structure and thermochemical properties of phase change materials bis(1-octylammonium) tetrachlorochromate

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