2017 Annual Meeting

Session: Thermophysical Properties and Phase Behavior IV: Theory and Equations of State

Session Description TBD

Chair

Eric Jankowski, Boise State University

Co-Chair

Sanket Deshmukh, Virginia Polytechnic Institute and State University

Presentations

12:30 PM

(574a) Predicting Vapor-Liquid Equilibria with Augmented Ab Initio Potentials
Richard Sadus, Maryna Vlasiuk

12:46 PM

(574b) New Vapor Pressure Prediction with Improved Thermodynamic Consistency Using the Riedel Equation
Joseph W. Hogge, Neil Giles, Thomas A. Knotts, Richard L Rowley, Wade Vincent Wilding

01:02 PM

(574c) Solvent Screening and Pure Component Thermophysical Property Prediction for Pharmaceutical Process Design
Getachew S. Molla, Jens Abildskov, Gurkan Sin, ?ukasz Ruszczynski

01:18 PM

(574d) A Two-Structure Equation of State for Super Cooled and Stretched Light and Heavy Water
Michal Duška, Frédéric Caupin, Mikhail A. Anisimov, Jan Hruby

01:34 PM

(574e) Can Molecular Simulations Predict the Binary Interaction Parameters of the Activity Coefficient Models?
Rajesh Khare, Ashwin Ravichandran, Chau-Chyun Chen

01:50 PM

(574f) A Wertheim Activity Coefficient Model for Associating Mixtures
Aseel M. Bala, William G. Killian, Jackson A. Storer, James E. Jackson, Paul Mathias, Navin Patel, Timothy C. Frank, Dung T. Vu, Eric L. Cheluget, Carl T. Lira

02:06 PM

(574g) Understanding the Role of Intermolecular Forces in Molecular-Based Equations of State: 20 Years of the Soft-SAFT Equation
Lourdes F. Vega, Fèlix Llovell, Felipe J. Blas, Oriol Vilaseca, Jordi Torné, Joao A. P. Coutinho

02:22 PM

(196b) Coarse-Grained Modeling of Polymer Materials in Molecular Simulations with SAFT-? Mie Corresponding States Correlation Specified Potentials
Amulya Pervaje, Saad A. Khan, Erik Santiso

02:38 PM

(574h) New SAFT Eos for Electrolyte Solution
Mohammad Reza Dehghani, Reza Shahryari