Session: Thermophysical Properties and Phase Behavior II (2010 Annual Meeting)

Description:

Experimental and theoretical contributions to the general field of thermodynamic properties and phase behavior are encouraged, including those that introduce novel experimental or modeling techniques. The topic and style of the presentations should be consistent with the broader audience of this session.

Sponsor:

Thermodynamics and Transport Properties

Chair:

Erik E. Santiso
Massachusetts Institute of Technology
Department of Chemical Engineering
Cambridge, MA 02139
Phone Number: 617-258-5021
Fax Number: 617-253-2272
Email: esantiso@mit.edu

Co-Chair:

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

Papers:

500a

Ion Pair Association in Aqueous Metal Sulfates and Its Interpretation From NDIS by Molecular Simulation
Ariel A. Chialvo, Oak Ridge National Laboratory; J. Michael Simonson, Oak Ridge National Laboratory

500b

Molecular Dynamics Simulation Study of Hydration of Zwitterions
Qing Shao, University of Washington; Shaoyi Jiang, University of Washington

500c

Monte Carlo Simulation of the Three-Phase Equilibria of Water-Hydrate-Methane
Amadeu K. Sum, Colorado School of Mines; David T. Wu, Colorado School Of Mines; Carolyn A. Koh, Colorado School of Mines; E. Dendy Sloan, Colorado School of Mines; Matt Walsh, Colorado School of Mines; Lars Jensen, Technical University of Denmark; Kaj Thomsen, Technical University of Denmark; Nicolas von Solms, Technical University of Denmark; Scott Wierzchowski, Shell Global Solutions

500d

Solid-Liquid Phase Equilibria of Salt Mixtures Using Molecular Dynamics Simulations
Saivenkataraman Jayaraman, Sandia National Laboratories; Aidan P Thompson, Sandia National Laboratories; O. Anatole von Lilienfeld, Sandia National Laboratories

500e

Enthalpy Landscape Analysis for Calculating the Melting Temperature of a Material
Alex M. Nieves, University of Pennsylvania; Vaclav Vitek, University of Pennsylvania; Talid R. Sinno, University of Pennsylvania

500f

Critical and Phase-Equilibrium Properties of Different Force-Field Models for 1-Propanol Using Two-Phase Molecular Dynamics Simulations
Sonal Patel, Brigham Young University; W. Vincent Wilding, Brigham Young University; Richard L. Rowley, Brigham Young University

500g

ms2: A Molecular Simulation Tool for Thermodynamic Properties
Stephan Deublein, University of Kaiserslautern; Jadran Vrabec, University of Paderborn; Gabriela Guevara-Carrion, University of Kaiserslautern; Martin Bernreuther, High Performance Computing Center Stuttgart; Hans Hasse, University of Kaiserslautern

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

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