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Search Publications by: Vincent K. Shen (Fed)

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Displaying 76 - 86 of 86

Pair correlation functions of simple solutes in a Lennard-Jones solvent

November 20, 2008
Author(s)
Yehuda A. Ben Naim, Vincent K. Shen
We have calculated the pair correlation functions for several binary mixtures composed of simple solutes in a Lennard-Jones solvent. In particular, we have studied the solute-solute pair correlation functions and their dependence on the total density, the

Residual Multiparticle Entropy Does Not Generally Change Sign Near Freezing

April 13, 2008
Author(s)
William P. Krekelberg, Vincent K. Shen, Jeffrey R. Errington, Thomas M. Truskett
The residual multiparticle entropy (RMPE) of two- and three-dimensional fluids changes sign near the freezing line, providing a quasi-universal one-phase rule for the location of the liquid-solid transition. We present new simulation results ford

Confinement, Entropy, and Single-Particle Dynamics of Equilibrium Hard-Sphere Mixtures

October 18, 2007
Author(s)
Jeetain Mittal, Vincent K. Shen, Jeffrey R. Errington, Thomas M. Truskett
We use discontinuous molecular dynamics and grand-canonical transition-matrix Monte Carlo simulations to explore how confinement between parallel hard walls modifies the relationships between packing fraction, self-diffusivity, partial molar excess entropy

The third industrial fluid properties simulation challenge

September 7, 2007
Author(s)
F Case, John K. Brennan, Anne M. Chaka, Kerwin Dobbs, Daniel G. Friend, David Frurip, Peter A. Gordon, J Moore, Raymond D. Mountain, J Olson, Richard B. Ross, Martin Schiller, Vincent K. Shen
The third Industrial fluid properties simulation challenge was held from March to September 2006. As in the previous two events, contestants were challenged to predict specific, industrially relevant, properties of fluid systems. Their efforts were judged
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