2018 AIChE Annual Meeting

Session: New Frontiers of Molecular Thermodynamics (Invited Talks)

Invited talks only: New Frontiers of Molecular Thermodynamics This session highlights the latest advances in theory, modeling, state-of-the-art experiments, machine learning, and their applications to important contemporary problems.

Chair

Rajesh Khare, Texas Tech University

Co-Chair

Shekar Garde, Rensselaer Polytechnic Institute

Presentations

08:00 AM

(295a) Introductory Remarks: Frontiers of Molecular Thermodynamics
Shekar Garde

08:05 AM

(295b) Molecular Modeling of Charged Systems: From Electrolytes to Ionic Liquids and Molten Salts
Edward Maginn

08:40 AM

(295c) Assembling Polymeric Ionic Liquids: A Balance of Interactions Leading to New Properties
Rachel Segalman

09:15 AM

(295d) Molecular Modeling of Polymer Crystallization: Heterogeneous Nucleation
Gregory Rutledge, Alexander Bourque

09:50 AM

(295e) Context-Dependent Hydrophobic Interactions in Water
Nicholas L. Abbott

10:25 AM

(295f) Concluding Remarks: Frontiers of Molecular Thermodynamics
Rajesh Khare