375 Thermophysical Properties and Phase Behavior I

Tuesday, November 10, 2015: 12:30 PM - 3:00 PM
255C (Salt Palace 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. Papers on non-equilibrium thermodynamics are especially encouraged. The topic and style of the presentations should be consistent with the broader audience of this session.

Sponsor:
Thermodynamics and Transport Properties
Chair:
Clare McCabe Email: c.mccabe@vanderbilt.edu
Co-Chair:
Erik E. Santiso Email: eesantis@ncsu.edu
- indicates paper has an Extended Abstract file available on CD.



12:30 PM
(375a) Area 1a Keynote Lecture: Molecular Modeling of the Thermodynamic and Transport Properties of Ionic Liquids and Their Mixtures: Can We Really Tell Experimentalists Anything?
Edward Maginn


1:10 PM
(375b) Mesoscale Solubilization and Critical Phenomena in Binary and Quasi-Binary Solutions of Hydrotropes
Andreas E. Robertson, Dung H. Phan, Joseph E. Macaluso, Vladimir N. Kuriakov, Elena V. Jouravleva, Christopher E. Bertrand, Igor K. Yudin and Mikhail A. Anisimov


1:30 PM
(375c) Prediction of Thermodynamic and Transport Properties of H2O – CO2, H2O – NaCl and H2O – CO2 – NaCl Mixtures: Towards a Predictive Molecular Model for CCS Processes
Hao Jiang, Othonas A. Moultos, Ioannis N. Tsimpanogiannis, Zoltan Mester, Athanassios Z. Panagiotopoulos and Ioannis G. Economou


1:50 PM
(375d) Novel Approaches to the Understanding of Hydration Phenomena in Aqueous Electrolytes: Molecular-Based Tools Toward the Interpretation of Challenging Neutron Diffraction Experiments
Ariel A. Chialvo and Lukas Vlcek


2:10 PM
(375e) Molecular Simulations of Protic Ionic Liquids and Their Mixtures with Water
Kun Chao and Henry S. Ashbaugh

File available
2:30 PM
(375f) Molecular Density Functional Theory for Multiscale Modeling of Hydration Free Energy
Jianzhong Wu, Shijie Sheng and Jia Fu


2:50 PM
(375g) Polymorph Selection in the Homogeneous Nucleation of Ice in Deeply Supercooled Water
Amir Haji-Akbari and Pablo G. Debenedetti
See more of this Group/Topical: Engineering Sciences and Fundamentals
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