Calculation of the Second Virial Coefficient of The TMGa Molecule


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Authors

  • Bahtiyar Akber Mamedov Gaziosmanpaşa University
  • Ebru Karatas Avrasya University
  • Elif Somuncu Usak University

DOI:

https://doi.org/10.59287/icaens.1013

Keywords:

Second Virial Coefficient, Yukawa Potential, Interaction Energy, Ab Initio Method, TMGa

Abstract

In this work, interaction energy values were calculated using ab initio method for Trimethylgallium (TMGa) molecule. For the Trimethylgallium molecules, the minimum energy values obtained by the ab initio method have been used to calculate second virial coefficient by placing in Yukawa potential. The obtained second virial coefficient results are compared to theoretical data reported in the literature. Furthermore, the obtained results for Yukawa potential compared to with other potentials such as Lennard Jones (12-6) potential and Morse potential in the literature. For most of the varied temperatures of the investigated TMGa molecule, the second virial coefficient predicted by theoretical result computations showed reasonable agreement with theoretical second virial coefficient values.

Author Biographies

Bahtiyar Akber Mamedov, Gaziosmanpaşa University

Department of Physics, Faculty of Arts and Sciences, Tokat, Turkey 60100

Ebru Karatas, Avrasya University

Department of Medical Imaging Techniques, Avrasya Vocational School of Health Services, Trabzon

Elif Somuncu, Usak University

Department of Medical Services and Techniques, Usak Ulubey Vocational School,  Usak, Turkey

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Published

2023-07-20

How to Cite

Mamedov, B. A., Karatas, E., & Somuncu, E. (2023). Calculation of the Second Virial Coefficient of The TMGa Molecule . International Conference on Applied Engineering and Natural Sciences, 1(1), 317–319. https://doi.org/10.59287/icaens.1013