Morse oscillator equation of state: An integral equation theory based with virial expansion and compressibility terms.

A number of interaction energy types are employed in the vibrations studies, especially in the spectroscopic analysis, such as the harmonic oscillator and Morse oscillator. In this research, a derivation of an analytical formula of equation of state of Morse oscillator is considered by employing the approximations used in the simple fluids theory. The compressibility formula of the pressure and the virial expansion formula of the pressure using the solutions of the main equation of the simple fluids theory with one of the approximations of the theory are employed for the purpose of the derivation. The virial coefficients of the total Morse oscillator pressure (the first order one, and the second order one) are found for Morse oscillator with respect to the fractional volume of the components, where we conclude that the first order term is proportional to the absolute temperature directly and depends on the diameter of the particles, while we concluded that the second order coefficient term is more complicated than the first order one with temperature, and also, depends on the three Morse oscillator parameters and the diameter of the particles. Besides, we conclude that the total pressure of Morse oscillator, generally, depends on the minimum energy of the well of Morse oscillator, the width parameter of Morse oscillator, and the equilibrium bond distance of the oscillator, in addition to their dependence on the absolute temperature of the components, and the diameter of the particles. The formula of the Morse oscillator equation of state which is found in this research can be applied to multiple materials described using Morse oscillator such as lots of dimers in the vibrations spectroscopy.

Formula of compressibility and using it for air, noble gases, some hydrocarbons gases, some diatomic simple gases and some other fluids.

Based on solutions of the Ornstein-Zernike equation (OZE) of Lennard-Jones potential for mean spherical approximation (MSA), we derive analytical formula for the compressibility assuming that the system is of low density, homogeneous, isotropic and composed of one component. Depending on this formula, we find the values of the bulk modulus and the compressibility of air at room temperature and the bulk modulus and the compressibility of Methane, Ethylene, Propylene and Propane at nine per ten of critical temperature of each hydrocarbon. Also, we find the speed of sound in the air at various temperatures, the speed of sound in each of Helium, Neon, Argon, Krypton, Xenon, Methane, Ethylene, Propylene, Propane, Hydrogen, Nitrogen, Fluorine, Chlorine, Oxygen, Nitrous oxide (laughing gas), Carbon dioxide, Nitric oxide, Carbon monoxide, Sulphur dioxide and dichlorodifluoromethane at room temperature. Besides, we find the speed of sound in Methane, Ethylene, Propylene and Propane at nine per ten of critical temperature of each hydrocarbons depending on the formula we find. We show that the simple formula we derive in this work is reliable and agrees with the results obtained from other studies and literatures. We believe it can be used for many systems which are in low densities and described by Lennard-Jones potential.