Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 σ based on perturbation theory and its applications to interfacial thermodynamics

Comparison of predictions of the PC-SAFT equation of state and molecular simulations for the metastable region of binary mixtures

(2017) Alexander Keller et al.   FLUID PHASE EQUILIBRIA

Modeling of interfacial properties of multicomponent systems using density gradient theory and PCP-SAFT

(2017) Jonas Mairhofer et al.   FLUID PHASE EQUILIBRIA

Classical Density Functional Theory for Liquid–Fluid Interfaces and Confined Systems: A Functional for the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State

(2017) Elmar Sauer et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory

(2016) Stefan Becker et al.   FLUID PHASE EQUILIBRIA

Interfacial and bulk properties of vapor-liquid equilibria in the system toluene + hydrogen chloride + carbon dioxide by molecular simulation and density gradient theory + PC-SAFT

(2016) Stephan Werth et al.   FLUID PHASE EQUILIBRIA

Communication: Evaporation: Influence of heat transport in the liquid on the interface temperature and the particle flux

(2016) Matthias Heinen et al.   JOURNAL OF CHEMICAL PHYSICS

Droplets sliding over shearing surfaces studied by molecular dynamics

(2015) J. J. Derksen   AICHE JOURNAL

Molecular simulation of nano-dispersed fluid phases

(2014) Martin Horsch et al.   CHEMICAL ENGINEERING SCIENCE

ms2: A molecular simulation tool for thermodynamic properties, new version release

(2014) Colin W. Glass et al.   COMPUTER PHYSICS COMMUNICATIONS

High-pressure densities and interfacial tensions of binary systems containing carbon dioxide+n-alkanes: (n-Dodecane, n-tridecane, n-tetradecane)

(2014) Constanza Cumicheo et al.   FLUID PHASE EQUILIBRIA

A Density Functional Theory for Vapor–Liquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State

(2014) Christoph Klink et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Evaporation from a free liquid surface

(2014) Amal Lotfi et al.   INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

Equation of State for the Lennard-Jones Truncated and Shifted Model Fluid

(2014) Monika Thol et al.   INTERNATIONAL JOURNAL OF THERMOPHYSICS

Use of Equations of State and Coarse Grained Simulations to Complement Experiments: Describing the Interfacial Properties of Carbon Dioxide + Decane and Carbon Dioxide + Eicosane Mixtures

(2014) Andrés Mejía et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems

(2014) Christoph Niethammer et al.   Journal of Chemical Theory and Computation

Contact Angle of Sessile Drops in Lennard-Jones Systems

(2014) Stefan Becker et al.   LANGMUIR

Interfacial tension of binary mixtures exhibiting azeotropic behavior: Measurement and modeling with PCP-SAFT combined with Density Gradient Theory

(2013) Elisabeth Schäfer et al.   FLUID PHASE EQUILIBRIA

The influence of the liquid slab thickness on the planar vapor–liquid interfacial tension

(2013) Stephan Werth et al.   PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Phase equilibrium and interfacial properties of water+CO2 mixtures

(2012) Gabriel Niño-Amézquita et al.   FLUID PHASE EQUILIBRIA

Excess equimolar radius of liquid drops

(2012) Martin Horsch et al.   PHYSICAL REVIEW E

Riemannian geometry study of vapor-liquid phase equilibria and supercritical behavior of the Lennard-Jones fluid

(2012) Helge-Otmar May et al.   PHYSICAL REVIEW E

Higher Order Classical Density Functional Theory for Branched Chains and Rings

(2011) Bennett D. Marshall et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Performance of some nucleation theories with a nonsharp droplet-vapor interface

(2010) Ismo Napari et al.   JOURNAL OF CHEMICAL PHYSICS

Density functional theory for calculating surface tensions with a simple renormalization formalism for the critical point

(2010) Xiaohua Tang et al.   JOURNAL OF SUPERCRITICAL FLUIDS

Interfacial properties of mixtures containing supercritical gases

(2010) O.G. Niño Amézquita et al.   JOURNAL OF SUPERCRITICAL FLUIDS

Contact Angle Dependence on the Fluid−Wall Dispersive Energy

(2010) Martin Horsch et al.   LANGMUIR

Large-scale molecular dynamics verification of the Rayleigh-Plesset approximation for collapse of nanobubbles

(2010) Robert Hołyst et al.   PHYSICAL REVIEW E

Cluster sizes in direct and indirect molecular dynamics simulations of nucleation

(2009) Ismo Napari et al.   JOURNAL OF CHEMICAL PHYSICS

A density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of state

(2009) Joachim Gross   JOURNAL OF CHEMICAL PHYSICS

Nonequilibrium thermodynamics of interfaces using classical density functional theory

(2008) Eivind Johannessen et al.   JOURNAL OF CHEMICAL PHYSICS

Direct Observation of Single Ostwald Ripening Processes by Molecular Dynamics Simulation

(2008) Thomas Kraska   JOURNAL OF PHYSICAL CHEMISTRY B

Modification of the classical nucleation theory based on molecular simulation data for surface tension, critical nucleus size, and nucleation rate

(2008) Martin Horsch et al.   PHYSICAL REVIEW E