Atomistic misconception of current model for condensed matter evaporation and new formulation

TL;DR

This paper introduces a novel atomistic kinetic model for evaporation that treats it as particles escaping a potential well, improving fundamental understanding and simulation accuracy of non-equilibrium evaporation processes.

Contribution

The paper presents a new evaporation theory based on particle escape from a potential well, challenging traditional emission-based models and enhancing the theoretical framework.

Findings

Models evaporation as particle escape from a potential well.

Provides a detailed non-equilibrium evaporation description.

Lays foundation for improved simulation and educational materials.

Abstract

Even though the phenomenon of evaporation is omnipresent and has immense scientific and technological importance, the research effort to unveil its fundamentals remains inadequately low. As one particular consequence, the textbooks and educational courses are lacking detailed explanation of evaporation and its effects. In order to advance fundamental theory of evaporation and increase accuracy of evaporation simulation a novel evaporation theory is presented. This integrated Atomistic(Molecular)-Kinetics-Gasdynamics theoretical model that combines statistical mechanics, gas dynamics and thermodynamics approaches opens a path to detailed description of nonstationary, nonequilibrium evaporation of condensed matter. The main innovation of the proposed approach is that, unlike all previous and current models of evaporation that are based on the assumption of evaporation as emission of the particles that are not bound within the condense phase, the described new model treats evaporation of condensed phase as escape of the particles of sufficient kinetic energy out of potential well located at the boundary of condensed and gaseous phases. Correspondingly, the re-condensation of the vapor onto the surface is treated as entrapment of the vapor particles with kietic energy lower than the depth of the potential well. The described novel research will open new opportunities to substantially advance our knowledge and provide needed contributions to chemical, combustion, environmental, climate and other sciences that utilize evaporation theory. Additionally, it will provide invaluable new material for the undergraduate and graduate educational courses in Physics, Chemistry, Engineering, and Material Sciences.