TY - JOUR
T1 - Thermodynamic properties of diatomic molecule systems under SO(2,1)-anharmonic Eckart potential
AU - Valencia-Ortega, Gabriel
AU - Arias-Hernandez, Luis Antonio
N1 - Publisher Copyright:
© 2018 Wiley Periodicals, Inc.
PY - 2018/7/15
Y1 - 2018/7/15
N2 - Due to one of the most representative contributions to the energy in diatomic molecules being the vibrational, we consider the generalized Morse potential (GMP) as a typical interaction for one-dimensional microscopic systems, which describes local anharmonic effects. From the Eckart potential (EP) model, it is possible to find a connection with the GMP model, as well as obtaining the analytical expression for the energy spectrum because it is based on SO(2,1) algebras. This gives the macroscopic properties such as vibrational mean energy U, specific heat C, Helmholtz free energy F, and entropy S for a heteronuclear diatomic system, as well as with the exact partition function and its approximation for the high temperature region. Finally, a comparison is made between the graphs of some thermodynamic functions obtained with the GMP and the Morse potential (MP) for HCl molecules.
AB - Due to one of the most representative contributions to the energy in diatomic molecules being the vibrational, we consider the generalized Morse potential (GMP) as a typical interaction for one-dimensional microscopic systems, which describes local anharmonic effects. From the Eckart potential (EP) model, it is possible to find a connection with the GMP model, as well as obtaining the analytical expression for the energy spectrum because it is based on SO(2,1) algebras. This gives the macroscopic properties such as vibrational mean energy U, specific heat C, Helmholtz free energy F, and entropy S for a heteronuclear diatomic system, as well as with the exact partition function and its approximation for the high temperature region. Finally, a comparison is made between the graphs of some thermodynamic functions obtained with the GMP and the Morse potential (MP) for HCl molecules.
KW - Eckart potential
KW - diatomic gases
KW - thermodynamic properties of matter
UR - http://www.scopus.com/inward/record.url?scp=85041846141&partnerID=8YFLogxK
U2 - 10.1002/qua.25589
DO - 10.1002/qua.25589
M3 - Artículo
SN - 0020-7608
VL - 118
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
IS - 14
M1 - e25589
ER -