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

Wednesday, November 10, 2010: 12:30 PM

Salon II (Hilton)

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
Email: esantiso@mit.edu

Co-Chair:

Francisco R. Hung
Email: frhung@lsu.edu

12:30 PM

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

12:50 PM

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

1:10 PM

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

1:30 PM

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

1:50 PM

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

2:10 PM

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

2:30 PM

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

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

<< Previous Session | Next Session >>