Bulk viscosity of molecular fluids

Prediction of the water/oil interfacial tension from molecular simulations using the coarse-grained SAFT-γ Mie force field

(2017) Carmelo Herdes et al.   FLUID PHASE EQUILIBRIA

Simultaneous Description of Equilibrium, Interfacial, and Transport Properties of Fluids Using a Mie Chain Coarse-Grained Force Field

(2017) Hai Hoang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Transport properties and structure of dense methane fluid in the rough nano-channels using non-equilibrium multiscale molecular dynamics simulation

(2017) Chuntao Jiang et al.   INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

Group Contribution Coarse-Grained Molecular Simulations of Polystyrene Melts and Polystyrene Solutions in Alkanes Using the SAFT-γ Force Field

(2017) Guadalupe Jiménez-Serratos et al.   MACROMOLECULES

Commensurability Effects in Viscosity of Nanoconfined Water

(2016) Mehdi Neek-Amal et al.   ACS Nano

SAFT- γ force field for the simulation of molecular fluids 6: Binary and ternary mixtures comprising water, carbon dioxide, and n -alkanes

(2016) Olga Lobanova et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

High-fidelity simulation of a standing-wave thermoacoustic–piezoelectric engine

(2016) Jeffrey Lin et al.   JOURNAL OF FLUID MECHANICS

SAFT-γ force field for the simulation of molecular fluids: 8. Hetero-segmented coarse-grained models of perfluoroalkylalkanes assessed with new vapour–liquid interfacial tension data

(2016) Pedro Morgado et al.   MOLECULAR PHYSICS

Modelling the interfacial behaviour of dilute light-switching surfactant solutions

(2015) Carmelo Herdes et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

SAFT-γ force field for the simulation of molecular fluids: 4. A single-site coarse-grained model of water applicable over a wide temperature range

(2015) Olga Lobanova et al.   MOLECULAR PHYSICS

A corresponding-states framework for the description of the Mie family of intermolecular potentials

(2015) N.S. Ramrattan et al.   MOLECULAR PHYSICS

Multicomponent transport in laminar flames

(2015) Vincent Giovangigli   PROCEEDINGS OF THE COMBUSTION INSTITUTE

Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity

(2015) Sietse T. van der Post et al.   Nature Communications

Force field comparison and thermodynamic property calculation of supercritical CO2 and CH4 using molecular dynamics simulations

(2014) Cassiano G. Aimoli et al.   FLUID PHASE EQUILIBRIA

Force Fields for Coarse-Grained Molecular Simulations from a Corresponding States Correlation

(2014) Andrés Mejía et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Metastable Lennard-Jones fluids. III. Bulk viscosity

(2014) Vladimir G. Baidakov et al.   JOURNAL OF CHEMICAL PHYSICS

Metastable Lennard-Jones fluids. II. Thermal conductivity

(2014) Vladimir G. Baidakov et al.   JOURNAL OF CHEMICAL PHYSICS

Transport properties of carbon dioxide and methane from molecular dynamics simulations

(2014) C. G. Aimoli et al.   JOURNAL OF CHEMICAL PHYSICS

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

(2014) Vasileios Papaioannou et al.   JOURNAL OF CHEMICAL PHYSICS

Suppression of shock-induced separation in fluids having large bulk viscosities

(2014) F. Bahmani et al.   JOURNAL OF FLUID MECHANICS

Force-Field Parameters from the SAFT-γ Equation of State for Use in Coarse-Grained Molecular Simulations

(2014) Erich A. Müller et al.   Annual Review of Chemical and Biomolecular Engineering

Accurate statistical associating fluid theory for chain molecules formed from Mie segments

(2013) Thomas Lafitte et al.   JOURNAL OF CHEMICAL PHYSICS

SAFT-γ Force Field for the Simulation of Molecular Fluids: 2. Coarse-Grained Models of Greenhouse Gases, Refrigerants, and Long Alkanes

(2013) Carlos Avendaño et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Role of three-body interactions in formation of bulk viscosity in liquid argon

(2012) S. V. Lishchuk   JOURNAL OF CHEMICAL PHYSICS

Nonequilibrium molecular dynamics simulation of water transport through carbon nanotube membranes at low pressure

(2012) Luying Wang et al.   JOURNAL OF CHEMICAL PHYSICS

A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel

(2012) A. P. Markesteijn et al.   JOURNAL OF CHEMICAL PHYSICS

Optimization of the OPLS-AA Force Field for Long Hydrocarbons

(2012) Shirley W. I. Siu et al.   Journal of Chemical Theory and Computation

Determining the Bulk Viscosity of Rigid Water Models

(2012) George S. Fanourgakis et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Diffusion coefficient and shear viscosity of rigid water models

(2012) Sami Tazi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Numerical estimates for the bulk viscosity of ideal gases

(2012) M. S. Cramer   PHYSICS OF FLUIDS

Ab initio virial equation of state for argon using a new nonadditive three-body potential

(2011) Benjamin Jäger et al.   JOURNAL OF CHEMICAL PHYSICS

SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide

(2011) Carlos Avendaño et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Pressure enhancement in carbon nanopores: a major confinement effect

(2011) Yun Long et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Simulating water with rigid non-polarizable models: a general perspective

(2011) Carlos Vega et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The shear viscosity of rigid water models

(2010) Miguel Angel González et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initiopair potential energy curve for the argon atom pair and thermophysical properties for the dilute argon gas. II. Thermophysical properties for low-density argon

(2010) Eckhard Vogel et al.   MOLECULAR PHYSICS

Ab initiopair potential energy curve for the argon atom pair and thermophysical properties of the dilute argon gas. I. Argon—argon interatomic potential and rovibrational spectra

(2010) Benjamin Jäger et al.   MOLECULAR PHYSICS

The vibrational contribution to the thermal conductivity of a polyatomic fluid

(2010) Zhi Liang et al.   MOLECULAR PHYSICS

Bulk viscosity and compressibility measurement using acoustic spectroscopy

(2009) Andrei S. Dukhin et al.   JOURNAL OF CHEMICAL PHYSICS

Suitability of artificial bulk viscosity for large-eddy simulation of turbulent flows with shocks

(2009) Ali Mani et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Ab initiopair potential energy curve for the argon atom pair and thermophysical properties of the dilute argon gas. I. Argon–argon interatomic potential and rovibrational spectra

(2009) Benjamin Jäger et al.   MOLECULAR PHYSICS

Impact of volume viscosity on a shock–hydrogen-bubble interaction

(2008) G. Billet et al.   COMBUSTION THEORY AND MODELLING