Session: In Honor of Keith Gubbins' 75th Birthday III: Fundamentals & Model Development (2012 Annual Meeting)

Description:

This is a special session honoring the 75th birthday of Professor Keith E. Gubbins. Submission to this session is by invitation only.

Sponsor:

Thermodynamics and Transport Properties

Co-Sponsor(s):

Computational Molecular Science and Engineering Forum (21)

Chair:

Karl Johnson
University of Pittsburgh
1249 Benedum Hall
Pittsburgh, PA 15261
Email: karlj@pitt.edu

Co-Chair:

Francisco R. Hung
Louisiana State University
Cain Department of Chemical Engineering
110, Chemical Engineering,
Baton Rouge, LA 70803
Phone Number: 225-578-3546
Email: frhung@lsu.edu

Papers:

Introductory Remarks

145a

New Directions for Entropic Forces in Hard Particle Fluids
Sharon C. Glotzer, University of Michigan

145b

A Pseudo-Quantum Description of Classical Vacancy Diffusion in Crystals
Giovanni Ciccotti, Università di Roma ; Simone Meloni, University College Dublin; Pierre-Antoine Geslin, Laboratoire d'Etudes des Microstructures (LEM), CNRS-ONERA; Eric Vanden-Eijnden, New York University

145c

2-Component Van Der Waals EoS and the Second Osmotic Virial Coefficient
Benjamin Widom, Cornell U.

145d

Extending the Capabilities of Molecular-Based Equations of State: Simultaneous Calculations of Phase Equilibria and Transport Properties
Felix Llovell, MATGAS Research Center; Rosa Marcos, Universitat Rovira i Virgili (URV); Lourdes F. Vega, Carburos Metálicos, Air Products Group

145e

Property Prediction with Analogous Series: A Continuum View of Discrete Molecular Entities
Brian K. Peterson, ExxonMobil Research and Engineering

145f

SAFT-γ Coarse Grained Models for the Molecular Simulation of Complex Fluids with a Top-Down Methodology
Carlos Avendano, Cornell University; Thomas Lafitte, Princeton University; Vassilis Papaionannou, Imperial College London; Olga Lobanova, Imperial College London; Claire Adjiman, Imperial College London; Amparo Galindo, Imperial College London; Erich A. Muller, Imperial College London; George Jackson, Imperial College London

145g

Novel Nanoporous Materials: In Silico Design
Coray M. Colina, Pennsylvania State University

See more of this Group/Topical: Engineering Sciences and Fundamentals

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