456 Thermophysical Properties and Phase Behavior III

Wednesday, October 31, 2012: 8:30 AM
412 (Convention Center )
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

Co-chairs:
Rajesh Khare
Email: rajesh.khare@ttu.edu

Arthi Jayaraman
Email: arthi.jayaraman@colorado.edu


8:30 AM
(456a) Role of Bond Flexibility On the Diffusion and Shear Viscosity of Water
Gabriele Raabe and Richard J. Sadus

8:49 AM
(456b) Cold Water As a Novel Supercritical-Fluid Solvent: A Two-State Model
Daphne A. Fuentevilla, Vincent Holten and Mikhail A. Anisimov

9:08 AM
(456c) Thermophysical and Structural Properties of Electrolyte Solutions Confined in a Carbon Nanotube
Daniel W. Siderius, Jeffrey A. Fagan and Vincent K. Shen

9:27 AM
(456d) Bridge Functionals Representing Higher-Order Terms in the Perturbative Classical Density Functional Theory of Solid-Fluid Transitions
Anurag Verma and David Ford

9:46 AM
(456e) Liquid-Vapor Coexistence Properties of Complex Molecules Using Grand-Canonical and Isothermal-Isobaric Temperature Expanded Ensemble Simulations
Kaustubh S. Rane, Sabharish Murali and Jeffrey R. Errington

10:05 AM
(456f) Molecular Modeling of Vapor-Deposited Ultra-Stable Glasses
Sadanand Singh, Devin B. Averett and Juan De Pablo

10:24 AM
(456g) Topological Thermodynamic Tools for a Consistent Representation of the Acetic Acid-Isoamyl Alcohol-Isoamyl Acetate-Water Reactive System
Wilmar Osorio Viana, Miguel Duque Bernal, Jesús David Quintero Arias, Izabela Dobrosz Gómez, Javier Fontalvo and Miguel Angel Gómez-García

10:43 AM
(456h) Molecular Dynamics Study of the Phase Behaviour of H2O-CO2-NaCl and H2O+NaCl Systems
Thomas Lafitte, Yang Liu, Pablo G. Debenedetti and Athanassios Z. Panagiotopoulos
See more of this Group/Topical: Engineering Sciences and Fundamentals
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