Computer modelling of the surface tension of the gas–liquid and liquid–liquid interface
A Ghoufi, P Malfreyt, DJ Tildesley - Chemical Society Reviews, 2016 - pubs.rsc.org
This review presents the state of the art in molecular simulations of interfacial systems and of
the calculation of the surface tension from the underlying intermolecular potential. We …
the calculation of the surface tension from the underlying intermolecular potential. We …
[BOOK][B] Liquid-vapor phase-change phenomena: an introduction to the thermophysics of vaporization and condensation processes in heat transfer equipment
VP Carey - 2020 - taylorfrancis.com
Since the second edition of Liquid-Vapor Phase-Change Phenomena was written, research
has substantially enhanced the understanding of the effects of nanostructured surfaces …
has substantially enhanced the understanding of the effects of nanostructured surfaces …
Applications of Monte Carlo methods to statistical physics
K Binder - Reports on Progress in Physics, 1997 - iopscience.iop.org
An introductory review of the Monte Carlo method for the statistical mechanics of condensed
matter systems is given. Basic principles (random number generation, simple sampling …
matter systems is given. Basic principles (random number generation, simple sampling …
Computer simulations of liquid/vapor interface in Lennard-Jones fluids: Some questions and answers
Canonical molecular dynamics MD and Monte Carlo MC simulations for liquid/vapor
equilibrium in truncated Lennard-Jones fluid have been carried out. Different results for …
equilibrium in truncated Lennard-Jones fluid have been carried out. Different results for …
A review of heat transfer physics
With rising science contents of the engineering research and education, we give examples
of the quest for fundamental understanding of heat transfer at the atomic level. These …
of the quest for fundamental understanding of heat transfer at the atomic level. These …
Spotlight onto surfactant–steam–bitumen interfacial behavior via molecular dynamics simulation
Heavy oil and bitumen play a vital role in the global energy supply, and to unlock such
resources, thermal methods, eg, steam injection, are applied. To improve the performance of …
resources, thermal methods, eg, steam injection, are applied. To improve the performance of …
A systematic development of a polarizable potential of water
PT Kiss, A Baranyai - The Journal of Chemical Physics, 2013 - pubs.aip.org
Based on extensive studies of existing potentials we propose a new molecular model for
water. The new model is rigid and contains three Gaussian charges. Contrary to other …
water. The new model is rigid and contains three Gaussian charges. Contrary to other …
Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields
The properties of higher n-alkanes and their mixtures is a topic of significant interest for the
oil and chemical industry. However, the experimental data at high temperatures are scarce …
oil and chemical industry. However, the experimental data at high temperatures are scarce …
Nonequilibrium melting and crystallization of a model Lennard-Jones system
Nonequilibrium melting and crystallization of a model Lennard-Jones system were
investigated with molecular dynamics simulations to quantify the maximum superheating …
investigated with molecular dynamics simulations to quantify the maximum superheating …
Molecular simulations of liquid-liquid interfacial properties: Water–n-alkane and water-methanol–n-alkane systems
Direct molecular dynamics simulations of the liquid-liquid interface of water–n-alkane and
water-methanol–n-alkane systems have been performed in order to study the interfacial …
water-methanol–n-alkane systems have been performed in order to study the interfacial …