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Specific heat at constant pressure, enthalpy and Gibbs free energy of boron nitride (BN) using q-deformed exponential-type potential
Physica B: Condensed Matter ( IF 2.8 ) Pub Date : 2021-03-17 , DOI: 10.1016/j.physb.2021.412940
M. Habibinejad , R. Khordad , A. Ghanbari

In this paper, we have obtained the thermodynamic properties of boron nitride (BN) using q-deformed exponential-type potential within the framework of the statistical mechanics. To this end, the energy spectra of the potential model are calculated using benefit approximation and appropriate coordinate transformation within the non-relativistic quantum mechanics framework. The partition function of BN has been obtained analytically and was used to find its thermodynamic functions such as specific heat at constant pressure, enthalpy and Gibbs free energy by the Poisson summation formula. The average absolute deviations of the predicted results from the experimental data are 3.9716%, 2.3567% and 8.5868% for specific heat at constant pressure, Gibbs free energy and enthalpy, respectively.



中文翻译:

恒压下的比热,焓和氮化硼(BN)的吉布斯自由能 q形变指数型势

在本文中,我们使用以下方法获得了氮化硼(BN)的热力学性质: q统计力学框架内的变形指数型势。为此,在非相对论量子力学框架内,使用利益近似和适当的坐标变换来计算势能模型的能谱。BN的分配函数已通过分析获得,并用于通过Poisson求和公式求出其热力学函数,例如恒压下的比热,焓和吉布斯自由能。从实验数据得出的预测结果的平均绝对偏差分别为:定压比热,吉布斯自由能和焓分别为3.9716%,2.3567%和8.5868%。

更新日期:2021-04-02
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