Вплив анізотропії потенціалу міжмолекулярної взає-модії на коефіцієнт поверхневого натягу модельних флюїдів

• Дата: 2025
• Автори: Berezovska, Y.O., Grigoriev, A.N., Gavrushenko, D.A.
• Формат: Стаття
• Мова: Англійська; Українська
• Опубліковано: Publishing house "Academperiodika" 2025
• Теми: метод Уанга–Ландау; анiзотропiя потенцiалу мiжмолекулярної взаємодiї; поверхневий натяг; лiнiя рiвноваги рiдина–пара
• Онлайн доступ: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2023669
• Назва журналу: Ukrainian Journal of Physics

The thermodynamic and kinetic behavior of liquids even with essentially different types of intermolecular interactions, such as water and argon, exhibits certain similarities. In particular, the kinematic viscosity and the density along the liquid-vapor equilibrium curve in reduced coordinates are similar for those substances. This similarity is explained by the orientation averaging of the intermolecular interaction potential. There arises the question “How universal is the observed regularity?” The aim of this work is to study such thermophysical parameters of a system of diatomic molecules as the surface tension coefficient and the phase densities along the liquid-vapor equilibrium curve, as well as the impact of particle asphericity on these properties. Using the Wang–Landau method in the framework of the grand canonical ensemble, we will calculate the temperature dependences of the densities of the gas and liquid phases at their equilibrium curve, as well as the surface tension coefficient for systems of particles with a non-central interaction. Specifically, the systems of diatomic particles whose atoms interact via the Lennard-Jones potential are examined. The atomic diameters are varied in such a way that the molecular volume remained constant. The influence of the molecular asphericity on the thermophysical properties of the studied liquids are analyzed. It is shown that the anisotropy of the intermolecular interaction potential has almost no effect on the densities of the liquid and gas phases at their equilibrium curve, in contrast to the surface tension coefficient, which substantially depends on the intermolecular interaction potential anisotropy, especially at low temperatures.