Molecular simulation of the phase behavior of noble gases using accurate two-body and three-body intermolecular potentials

Gianluca Marcelli; Richard J. Sadus

doi:10.1063/1.479412

Molecular simulation of the phase behavior of noble gases using accurate two-body and three-body intermolecular potentials

The Journal of Chemical Physics ◽

10.1063/1.479412 ◽

1999 ◽

Vol 111 (4) ◽

pp. 1533-1540 ◽

Cited By ~ 84

Author(s):

Gianluca Marcelli ◽

Richard J. Sadus

Keyword(s):

Phase Behavior ◽

Molecular Simulation ◽

Noble Gases ◽

Intermolecular Potentials ◽

Three Body

Download Full-text

Combining intermolecular potentials for the prediction of fluid properties: Two-body and three-body interactions

The Journal of Chemical Physics ◽

10.1063/5.0033466 ◽

2020 ◽

Vol 153 (21) ◽

pp. 214509

Author(s):

Richard J. Sadus

Keyword(s):

Intermolecular Potentials ◽

Fluid Properties ◽

Three Body

Download Full-text

Molecular Simulation of the Phase Behavior of Water Confined in Silica Nanopores

The Journal of Physical Chemistry C ◽

10.1021/jp067380g ◽

2007 ◽

Vol 111 (22) ◽

pp. 7938-7946 ◽

Cited By ~ 55

Author(s):

Katsuhiro Shirono ◽

Hirofumi Daiguji

Keyword(s):

Phase Behavior ◽

Molecular Simulation

Download Full-text

Phase Behavior in Shale Organic/Inorganic Nanopores From Molecular Simulation

SPE Reservoir Evaluation & Engineering ◽

10.2118/187307-pa ◽

2018 ◽

Vol 21 (03) ◽

pp. 626-637 ◽

Cited By ~ 4

Author(s):

Bikai Jin ◽

Hadi Nasrabadi

Keyword(s):

Phase Behavior ◽

Molecular Simulation

Download Full-text

Molecular simulation of the pore size distribution effect on phase behavior of methane confined in nanopores

Fluid Phase Equilibria ◽

10.1016/j.fluid.2017.08.017 ◽

2017 ◽

Vol 452 ◽

pp. 94-102 ◽

Cited By ~ 22

Author(s):

Bikai Jin ◽

Ran Bi ◽

Hadi Nasrabadi

Keyword(s):

Pore Size Distribution ◽

Phase Behavior ◽

Pore Size ◽

Size Distribution ◽

Molecular Simulation ◽

Distribution Effect

Download Full-text

Molecular simulation of the phase behavior of fluids and fluid mixtures using the synthetic method

The Journal of Chemical Physics ◽

10.1063/1.4739853 ◽

2012 ◽

Vol 137 (5) ◽

pp. 054507 ◽

Cited By ~ 3

Author(s):

Richard J. Sadus

Keyword(s):

Phase Behavior ◽

Molecular Simulation ◽

Synthetic Method ◽

Fluid Mixtures

Download Full-text

Molecular simulation of fluids with non-identical intermolecular potentials: Thermodynamic properties of 10-5 + 12-6 Mie potential binary mixtures

The Journal of Chemical Physics ◽

10.1063/1.4908530 ◽

2015 ◽

Vol 142 (8) ◽

pp. 084504 ◽

Cited By ~ 12

Author(s):

Thomas Stiegler ◽

Richard J. Sadus

Keyword(s):

Thermodynamic Properties ◽

Molecular Simulation ◽

Binary Mixtures ◽

Intermolecular Potentials ◽

Mie Potential

Download Full-text

Computer simulation study of the phase behavior and structural relaxation in a gel-former modeled by three-body interactions

The Journal of Chemical Physics ◽

10.1063/1.3578176 ◽

2011 ◽

Vol 134 (16) ◽

pp. 164506 ◽

Cited By ~ 19

Author(s):

Shibu Saw ◽

Niels L. Ellegaard ◽

Walter Kob ◽

Srikanth Sastry

Keyword(s):

Computer Simulation ◽

Phase Behavior ◽

Simulation Study ◽

Structural Relaxation ◽

Computer Simulation Study ◽

Three Body

Download Full-text

Investigation of the Phase Behavior of an Embedded Charge Protein Model through Molecular Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp075455q ◽

2007 ◽

Vol 111 (43) ◽

pp. 12591-12598 ◽

Cited By ~ 20

Author(s):

Thomas W. Rosch ◽

Jeffrey R. Errington

Keyword(s):

Phase Behavior ◽

Molecular Simulation ◽

Protein Model

Download Full-text

Virial based equations of state with account of three-body interaction for noble gases and their mixtures

Journal of Physics Conference Series ◽

10.1088/1742-6596/774/1/012038 ◽

2016 ◽

Vol 774 ◽

pp. 012038

Author(s):

Z A Akhmatov ◽

A Kh Khokonov ◽

M Kh Khokonov

Keyword(s):

Noble Gases ◽

Equations Of State ◽

Body Interaction ◽

Three Body

Download Full-text

Quantum computation of the properties of helium using two-body and three-body intermolecular potentials: a molecular dynamics study

Theoretical Chemistry Accounts ◽

10.1007/s00214-007-0393-4 ◽

2007 ◽

Vol 119 (4) ◽

pp. 355-368 ◽

Cited By ~ 17

Author(s):

Elaheh K. Goharshadi ◽

Mohsen Abbaspour ◽

Hamideh Kashani ◽

Mahmood Baherololoom

Keyword(s):

Molecular Dynamics ◽

Quantum Computation ◽

Intermolecular Potentials ◽

Three Body

Download Full-text