A general representation of thermodynamic properties for gaseous boron trifluoride

Omama Al Kharusi; Ridha Horchani; Akpan Ndem Ikot; U. S. Okorie; Haikel Jelassi

doi:10.1016/j.cjph.2024.05.018

A general representation of thermodynamic properties for gaseous boron trifluoride

Omama Al Kharusi, Ridha Horchani^*, Akpan Ndem Ikot, U. S. Okorie, Haikel Jelassi

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	42-48
Number of pages	7
Journal	Chinese Journal of Physics
Volume	90
DOIs	https://doi.org/10.1016/j.cjph.2024.05.018
Publication status	Published - Aug 2024
Externally published	Yes

Keywords

Boron trifluoride
Explicit formulation
Partition function
Thermodynamic properties

ASJC Scopus subject areas

General Physics and Astronomy

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10.1016/j.cjph.2024.05.018

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title = "A general representation of thermodynamic properties for gaseous boron trifluoride",

abstract = "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.",

keywords = "Boron trifluoride, Explicit formulation, Partition function, Thermodynamic properties",

author = "{Al Kharusi}, Omama and Ridha Horchani and Ikot, {Akpan Ndem} and Okorie, {U. S.} and Haikel Jelassi",

note = "Publisher Copyright: {\textcopyright} 2024 The Physical Society of the Republic of China (Taiwan)",

year = "2024",

month = aug,

doi = "10.1016/j.cjph.2024.05.018",

language = "English",

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T1 - A general representation of thermodynamic properties for gaseous boron trifluoride

AU - Al Kharusi, Omama

AU - Horchani, Ridha

AU - Ikot, Akpan Ndem

AU - Okorie, U. S.

AU - Jelassi, Haikel

PY - 2024/8

Y1 - 2024/8

N2 - 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.

AB - 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.

KW - Boron trifluoride

KW - Explicit formulation

KW - Partition function

KW - Thermodynamic properties

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SP - 42

EP - 48

JO - Chinese Journal of Physics

JF - Chinese Journal of Physics

ER -

A general representation of thermodynamic properties for gaseous boron trifluoride

Abstract

Keywords

ASJC Scopus subject areas

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