A general representation of thermodynamic properties for gaseous boron trifluoride

被引：2

作者：

Al Kharusi, Omama ^{[1
]}

Horchani, Ridha ^{[1
]}

Ikot, Akpan Ndem ^{[2
]}

Okorie, U. S. ^{[3
]}

Jelassi, Haikel ^{[4
]}

机构：

[1] Sultan Qaboos Univ, Coll Sci, Dept Phys, POB 36,PC, Muscat 123, Oman

[2] Univ Port Harcourt, Dept Phys, Theoret Phys Grp, Choba, Nigeria

[3] Univ Uyo, Dept Phys, Theoret Phys Grp, Uyo, Nigeria

[4] Natl Ctr Nucl Sci & Technol, Res Lab Energy & Matter Nucl Sci Dev LR16CNSTN02, Sidi Thabet Technopk, Ariana 2020, Tunisia

来源：

CHINESE JOURNAL OF PHYSICS | 2024年 / 90卷

关键词：

Thermodynamic properties; Partition function; Explicit formulation; Boron trifluoride; PARTITION-FUNCTION; MONTE-CARLO; DISSOCIATION EQUILIBRIUM; DIATOMIC-MOLECULES; FREE-ENERGY; MODEL; BOND;

D O I：

10.1016/j.cjph.2024.05.018

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present an accurate model for predicting the thermodynamic properties for boron trifluoride. Unlike conventional computational approaches that rely on numerous experimental spectroscopy or calorimetry data, this model only uses a small number of molecular constants. The values for entropy, enthalpy, specific heat and Gibbs free energy are computed within the temperature range from 100 to 6000 K and compared with the available experimental data. This representation introduces a new approach to deal with the anharmonic vibrations of polyatomic molecules in general.

引用

页码：42 / 48

页数：7

共 41 条

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