Abstract
Studies of the coronavirus SARS-CoV-2 spread mechanisms indicate that the main mechanism is associated with the spread in the atmosphere of micro- and nanodroplets of liquid with an active agent. However, the molecular theory of aerosols of microdroplets in gases remains poorly developed. In this work, the energy properties of aerosol nanodroplets of simple liquids suspended in a gas were studied within the framework of molecular theory. The three components of the effective aerosol Hamiltonian were investigated: (1) the interaction energy of an individual atom with a liquid nanodroplet; (2) the surface energy of liquid nanodroplet; and (3) the interaction energy of two liquid nanodroplets. The size dependence of all contributions was investigated. The pairwise interparticle interactions and pairwise interparticle correlations were accounted for to study the nanodroplet properties using the Fowler approximation. In this paper, the problem of the adhesion energy calculation of a molecular complex and a liquid nanodroplet is discussed. The derived effective Hamiltonian is generic and can be used for the cases of multicomponent nano-aerosols and to account for particle size distributions.
Highlights
The rapid spread of coronavirus SARS-CoV-2 has become an investigation subject for numerous scientists
The model calculations of the size dependence of the surface energy of the droplet σ(a) were performed for simple liquids using the Lennard–Jones potential and pair distribution function, which were obtained within the framework of the Wicks–Chandler–And1e2rsoof n27 (WCA) thermodynamic perturbation theory [16,22,23,24]
The neglect of interatomic correlations leads to an unsatisfactory description of the physics of processes that are responsible for the dynamic equilibrium of the liquid–gas system
Summary
The rapid spread of coronavirus SARS-CoV-2 has become an investigation subject for numerous scientists. An important physical aspect in the problem of virus spread is the interaction of nanoparticles (virions) and nanodroplets with molecular structures of different media. An investigation of equilibrium and nonequilibrium properties of droplets and aerosols with liquid nanodroplets can be performed within the framework of classical statistical mechanics. A statistical approach to the study of volumetric properties of equilibrium and nonequilibrium homogeneous systems shows the importance of accounting for the paired interparticle interactions and correlations, which contain determinative terms in all properties [13,14,15,16]. For inhomogeneous liquids in statistical theory, it is important to take into account the one-particle distribution functions and the effective one-particle potentials, which are determined by paired interparticle interactions and correlations. The current study, using the correlation theory of inhomogeneous liquids, investigated the equilibrium properties of nanodroplets as components of aerosol systems. Investigation of the pointed energy characteristics is a major focus of the current article
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