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Entropy
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High Temperature Statistical Thermodynamics of Molecules in Gases and Plasmas
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High Temperature Statistical Thermodynamics of Molecules in Gases and Plasmas

A special issue of Entropy (ISSN 1099-4300). This special issue belongs to the section "Thermodynamics".

Deadline for manuscript submissions: closed (30 September 2021) | Viewed by 5752

Special Issue Editor

Prof. Dr. Marcin Buchowiecki

E-Mail Website
Guest Editor
Institute of Physics, University of Szczecin, Wielkopolska 15, 70-451 Szczecin, Poland
Interests: high temperature thermochemistry/thermophysics

Special Issue Information

Dear Colleagues,

The present Issue is devoted to fundamentals of high temperature statistical thermodynamics of small molecules and applications of partition functions and thermodynamic properties. High temperatures are understood broadly ranging from 1000K to tens of thousands of Kelvins.
Applications of high temperature statistical thermodynamics are scattered over several areas of research – the general chemical physics/physical chemistry, combustion (temperatures of thousands of Kelvins are of interest), plasma science (whole range of temperatures mentioned above can be of interest), hypersonic flows (also shock waves and aerothermodynamics; temperatures of tens of thousands of Kelvins are often of interest) and equations of state.
In plasmas and flows the non-equilibrium conditions often arise and translations, rotations and vibrations of molecules are characterized by different temperatures. The kinetic theory is then needed to connect external conditions with thermodynamical quantities.
The main scope is theoretical studies of various gas and plasma systems but experimental studies are also welcomed.

Prof. Dr. Marcin Buchowiecki
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Entropy is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • high temperature statistical thermodynamics
  • molecules
  • plasma science
  • hypersonic flows
  • non-equilibrium conditions

Published Papers (2 papers)

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Research

17 pages, 3080 KiB  
Article
Analyzing the Effects of Topological Defect (TD) on the Energy Spectra and Thermal Properties of LiH, TiC and I2 Diatomic Molecules
by Peter Nwabuzor, Collins Edet, Akpan Ndem Ikot, Uduakobong Okorie, Morris Ramantswana, Ridha Horchani, Abdel-Haleem Abdel-Aty and Gaotsiwe Rampho
Entropy 2021, 23(8), 1060; https://doi.org/10.3390/e23081060 - 17 Aug 2021
Cited by 30 | Viewed by 2170
Abstract
In this study, the impacts of TD on the energy spectra and thermal properties of LiH, TiC and I2 diatomic molecules is considered. The Schrodinger equation in cosmic string spacetime is solved with the generalized Morse potential using the well-known (NU) [...] Read more.
In this study, the impacts of TD on the energy spectra and thermal properties of LiH, TiC and I2 diatomic molecules is considered. The Schrodinger equation in cosmic string spacetime is solved with the generalized Morse potential using the well-known (NU) method. The energy spectra and eigenfunction are obtained respectively. The energy spectra is used to obtain the partition function which is then used to evaluate the thermal properties of the system is evaluated accordingly. We find that the energy spectra in the presence of the TD differ from their flat Minkowski spacetime analogue. The effects of the deformation parameter and TD on the thermal properties of the system is also analysed in detail. We observe that the specific heat capacity of the system tends to exhibit quasi-saturation as the deformation parameter and topological defect approaches unity. The results of our study can be applied in the astrophysical situation where these modifications exist in the understanding of spectroscopical data and it may be used as a probe of the presence of a cosmic string or a global monopole in the Universe. Full article
(This article belongs to the Special Issue High Temperature Statistical Thermodynamics of Molecules in Gases and Plasmas)
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9 pages, 287 KiB  
Article
On the Complementarity of the Harmonic Oscillator Model and the Classical Wigner–Kirkwood Corrected Partition Functions of Diatomic Molecules
by Marcin Buchowiecki
Entropy 2020, 22(8), 853; https://doi.org/10.3390/e22080853 - 31 Jul 2020
Cited by 3 | Viewed by 2752
Abstract
The vibrational and rovibrational partition functions of diatomic molecules are considered in the regime of intermediate temperatures. The low temperatures are those at which the harmonic oscillator approximation is appropriate, and the high temperatures are those at which classical partition function (with Wigner–Kirkwood [...] Read more.
The vibrational and rovibrational partition functions of diatomic molecules are considered in the regime of intermediate temperatures. The low temperatures are those at which the harmonic oscillator approximation is appropriate, and the high temperatures are those at which classical partition function (with Wigner–Kirkwood correction) is applicable. The complementarity of the harmonic oscillator and classical integration over the phase space approaches is investigated for the CO and H2+ molecules showing that those two approaches are complementary in the sense that they smoothly overlap. Full article
(This article belongs to the Special Issue High Temperature Statistical Thermodynamics of Molecules in Gases and Plasmas)
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