2010 Annual Meeting

Session: Thermophysical Properties and Phase Behavior II

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.

Chair

Erik E. Santiso, Massachusetts Institute of Technology

Co-Chair

Francisco R. Hung, Louisiana State University

Presentations

12:30 PM

(500a) Ion Pair Association in Aqueous Metal Sulfates and Its Interpretation From NDIS by Molecular Simulation
Ariel A. Chialvo, J. Michael Simonson

12:50 PM

(500b) Molecular Dynamics Simulation Study of Hydration of Zwitterions
Qing Shao, Shaoyi Jiang

01:10 PM

(500c) Monte Carlo Simulation of the Three-Phase Equilibria of Water-Hydrate-Methane
Amadeu K. Sum, David Wu, Carolyn A. Koh, E. Dendy Sloan, Matt Walsh, Lars Jensen, Kaj Thomsen, Nicolas von Solms, Scott Wierzchowski

01:30 PM

(500d) Solid-Liquid Phase Equilibria of Salt Mixtures Using Molecular Dynamics Simulations
Saivenkataramen Jayaraman, Aidan P Thompson, O. Anatole von Lilienfeld

01:50 PM

(500e) Enthalpy Landscape Analysis for Calculating the Melting Temperature of a Material
Alex M. Nieves, Vaclav Vitek, Talid R. Sinno

02:10 PM

(500f) Critical and Phase-Equilibrium Properties of Different Force-Field Models for 1-Propanol Using Two-Phase Molecular Dynamics Simulations
Sonal Patel, Wade Vincent Wilding, Richard L. Rowley

02:30 PM

(500g) ms2: A Molecular Simulation Tool for Thermodynamic Properties
Stephan Deublein, Jadran Vrabec, Gabriela Guevara-Carrion, Martin Bernreuther, Hans Hasse