2015 AIChE Annual Meeting Proceedings

Session: Thermophysical Properties and Phase Behavior I

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.

Chair

Clare McCabe, Vanderbilt University

Co-Chair

Erik Santiso, NC State University

Presentations

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

01:10 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, Mikhail A. Anisimov

01:30 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, Ioannis G. Economou

01:50 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, Lukas Vlcek

02:10 PM

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

02:30 PM

(375f) Molecular Density Functional Theory for Multiscale Modeling of Hydration Free Energy
Jianzhong Wu, Shijie Sheng, Jia Fu

02:50 PM

(375g) Polymorph Selection in the Homogeneous Nucleation of Ice in Deeply Supercooled Water
Amir Haji-Akbari, Pablo G. Debenedetti