The role of the ice rules in the thermal properties of potassium dihydrogen phosphate
The role of the ice rules in the thermal properties of potassium dihydrogen phosphate
复制标题
冰规则对磷酸二氢钾热性质的影响
DOI：
10.1007/bf01983627
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发表时间：
1996
期刊：
影响因子：
--
通讯作者：
H. Suga
中科院分区：
文献类型：
--
作者：
T. Matsuo;O. Yamamuro;M. Oguni;H. Suga
通过分析从文献和最近测量中获取的热容数据来检查磷酸二氢钾的量热特性。该分析基于谐波热容函数的广泛使用，以将相变的影响与振动贡献分开。导出的转变焓和熵分别为 421 J mol−1 和 3.79 J K−1 mol−1。测定了晶格振动的特征温度，包括德拜温度(254±18)K。超过与冰规则兼容的值的转变熵与热容的温度依赖性一致。通过与四水甲酸铜和磷酸二氢铊中的氢键网络进行比较，讨论了结果的含义。
Calorimetric properties of potassium dihydrogen phosphate are examined by analysis of the heat capacity data taken from the literature and from a recent measurement. The analysis is based on an extensive use of harmonic heat capacity functions to separate the effect of the phase transition from the vibrational contribution. The transition enthalpy and entropy derived are 421 J mol−1 and 3.79 J K−1 mol−1, respectively. Characteristic temperatures of the lattice vibrations including the Debye temperature (254±18) K were determined. The transition entropy, exceeding the value compatible with the ice-rules, is consistent with the temperature dependence of the heat capacity. The implication of the result is discussed by comparison with the hydrogen bond networks in copper formate tetrahydrate and thallium dihydrogen phosphate.