1995•The Journal of Chemical PhysicsRequires access

Area dependence of the surface tension of a Lennard-Jones fluid from molecular dynamics simulations

Li‐Jen Chen

Open publisher page 118 citations

Abstract

Molecular dynamics simulations are used to study the structure of the vapor–liquid interface of three-dimensional fluids. Particles interact via a truncated Lennard-Jones pair potential in the absence of external fields. The effect of the surface area on the surface tension is investigated. It is found that the surface tension increases with the decrease of the surface area. However, this finite-size effect is pronounced only in small surface areas. In addition, our simulation results show that the finite-size correction of the surface tension is directly proportional to the reciprocal of the surface area, in accord with the prediction of the Gaussian model of capillary waves.

About this research paper

What this paper is about

Molecular dynamics simulations are used to study the structure of the vapor–liquid interface of three-dimensional fluids. Particles interact via a truncated Lennard-Jones pair potential in the absence of external fields. The effect of the surface area on the surface tension is investigated. It is found that the surface tension increases with the decrease of the surface area. However, this finite-size effect is pronounced only in small surface areas. In addition, our simulation results show that the finite-size correction of the surface tension is directly proportional to the reciprocal of the surface area, in accord with the prediction of the Gaussian model of capillary waves.

Why it matters

OpenAlex reports 118 citations for this work. Citation counts describe recorded attention and do not establish research quality.

Key contribution

A contribution statement is not available in the OpenAlex record.

Method / approach

Method details are not available in the OpenAlex metadata.

Main findings

Findings are not separately available in the OpenAlex metadata.

Limitations

Limitations are not available in the OpenAlex metadata.

Applications

Application details are not available in the OpenAlex metadata.

Available abstract

Molecular dynamics simulations are used to study the structure of the vapor–liquid interface of three-dimensional fluids. Particles interact via a truncated Lennard-Jones pair potential in the absence of external fields. The effect of the surface area on the surface tension is investigated. It is found that the surface tension increases with the decrease of the surface area. However, this finite-size effect is pronounced only in small surface areas. In addition, our simulation results show that the finite-size correction of the surface tension is directly proportional to the reciprocal of the surface area, in accord with the prediction of the Gaussian model of capillary waves.

Key concepts: Surface tension, Capillary wave, Molecular dynamics, Lennard-Jones potential, Capillary length, Capillary action, Capillary number, Capillary surface

Related papers

Back to paper searchBrowse research topicsOriginal source
Area dependence of the surface tension of a Lennard-Jones fluid from molecular dynamics simulations — Research Paper | ScholarLens