The comparative analytical evaluation of quantum corrections to the second virial coefficient with Morse potential and its applications to real systems
Yazarlar (2)
Dr. Öğr. Üyesi Aslıhan Hatun ÇAÇAN
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale |
| Dergi Adı | Journal of Chemical Thermodynamics |
| Dergi ISSN | 0021-9614 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI |
| Dergi Grubu | Q2 |
| Makale Dili | İngilizce |
| Basım Tarihi | 11-2019 |
| Cilt No | 138 |
| Sayı | 1 |
| Sayfalar | 147 / 150 |
| DOI Numarası | 10.1016/j.jct.2019.06.015 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0021961419303830 |
| Özet |
| In this study, the first quantum corrections to the second virial coefficient (SVC) is analytically evaluated with the Morse potential for noble gases of He,Ne,Ar,Kr,Xe and also for CH4, CO2,N2 atoms and molecules for low temperatures. This exact analytical quantum correction method includes the series expansion formula and special functions, allowing more accurate and exact evaluation of the any thermodynamic properties of matter using the second virial coefficient at wide range of temperature. To our knowledge, except for some different approximation approaches, this study is the first analytical method for the calculation of the quantum correction to second virial coefficient with Morse potential and valid for all values of parameters. The SVC quantum correction results of Morse potential are compared with the literature especially with Lennard-Jones (12-6) and indicate a good agreement at high temperatures, but the Morse potential results heavily dominate over the Lennard-Jones (12-6) potential especially for light atoms and molecules at low temperatures. |
| Anahtar Kelimeler |
| Virial coefficients | Quantum correction | Morse potential | Lennard-Jones (12-6) potential |
Science Direct
The comparative analytical evaluation of quantum corrections to the second virial coefficient with Morse potential and its applications to real systems
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| SCOPUS | 4 |
| Google Scholar | 6 |