Thermophysical properties of the Lennard-Jones fluid: Database and data assessment
Literature data on the thermophysical properties of the Lennard-Jones fluid, which were
sampled with molecular dynamics and Monte Carlo simulations, were reviewed and …
sampled with molecular dynamics and Monte Carlo simulations, were reviewed and …
Review and comparison of equations of state for the Lennard-Jones fluid
Abstract The Lennard-Jones (LJ) potential is widely used for describing simple fluids; it is
also a point of departure for develo** models of complex fluids. Thermodynamic …
also a point of departure for develo** models of complex fluids. Thermodynamic …
[HTML][HTML] On the history of key empirical intermolecular potentials
J Fischer, M Wendland - Fluid Phase Equilibria, 2023 - Elsevier
Intermolecular potentials are considered which were suggested between 1903 and 1971.
These comprise the Mie potentials, the Lennard-Jones potentials, the Kihara potential, the …
These comprise the Mie potentials, the Lennard-Jones potentials, the Kihara potential, the …
Characteristic curves of the Mie fluid
S Stephan, M Urschel - Journal of Molecular Liquids, 2023 - Elsevier
Brown's characteristic curves of the Mie n, m fluid were investigated using molecular
dynamics (MD) simulation and a molecular-based equation of state. Both, the 0 th-order …
dynamics (MD) simulation and a molecular-based equation of state. Both, the 0 th-order …
Vapor− liquid interface of the lennard-jones truncated and shifted fluid: comparison of molecular simulation, density gradient theory, and density functional theory
The vapor–liquid interface of the Lennard-Jones truncated and shifted (LJTS) fluid with a
cutoff radius of 2.5 σ is investigated for temperatures covering the range between the triple …
cutoff radius of 2.5 σ is investigated for temperatures covering the range between the triple …
Simultaneous application of the gradient theory and Monte Carlo molecular simulation for the investigation of methane/water interfacial properties
This work is dedicated to the simultaneous application of the gradient theory of fluid
interfaces and Monte Carlo molecular simulations for the description of the interfacial …
interfaces and Monte Carlo molecular simulations for the description of the interfacial …
Vapour–liquid phase equilibrium and surface tension of fully flexible Lennard–Jones chains
We report measurements of the vapour–liquid coexistence densities and surface tension of
fully flexible Lennard–Jones chain molecules ranging in length from 4 to 60 beads. We …
fully flexible Lennard–Jones chain molecules ranging in length from 4 to 60 beads. We …
Interfacial tensions of industrial fluids from a molecular‐based square gradient theory
This work reports a procedure for predicting the interfacial tension (IFT) of pure fluids. It is
based on scaling arguments applied to the influence parameter of the van der Waals theory …
based on scaling arguments applied to the influence parameter of the van der Waals theory …
Interfacial Properties of Water/CO2: A Comprehensive Description through a Gradient Theory−SAFT-VR Mie Approach
T Lafitte, B Mendiboure, MM Pineiro… - The Journal of …, 2010 - ACS Publications
The Gradient Theory of fluid interfaces is for the first time combined with the SAFT-VR Mie
EOS to model the interfacial properties of the water/CO2 mixture. As a preliminary test of the …
EOS to model the interfacial properties of the water/CO2 mixture. As a preliminary test of the …
Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory
Data on the interfacial tension and adsorption are reported for the binary mixture of ethanol+
carbon dioxide (CO 2) as well as for pure ethanol. The data are obtained from experiments …
carbon dioxide (CO 2) as well as for pure ethanol. The data are obtained from experiments …