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


Description:
Session Description TBD

Sponsor:
Thermodynamics and Transport Properties


Chair:
Eric Jankowski
Assistant Professor
Boise State University
Micron School of Materials Science and Engineering
Boise, ID
80207
Email: ericjankowski@boisestate.edu

Co-Chair:
Sanket Deshmukh
Assistant Professor
Virginia Polytechnic Institute and State University
Department of Chemical Engineering
UCD Engineering and Materials Science Centre
Blacksburg, VA
Email: sanketad@vt.edu


Papers:
574a
Predicting Vapor-Liquid Equilibria with Augmented Ab Initio Potentials
Maryna Vlasiuk, Swinburne University of Technology; Richard J. Sadus, Swinburne University of Technology
574b
New Vapor Pressure Prediction with Improved Thermodynamic Consistency Using the Riedel Equation
Joseph W. Hogge, Brigham Young University; Neil Giles, Brigham Young University; Richard L Rowley, Brigham Young University; Thomas A. Knotts IV, Brigham Young University; W. Vincent Wilding, Brigham Young University
574c
Solvent Screening and Pure Component Thermophysical Property Prediction for Pharmaceutical Process Design
Getachew S. Molla, Technical University of Denmark; Łukasz Ruszczynski, Technical University of Denmark; Jens Abildskov, Technical University of Denmark; Gürkan Sin, Technical University of Denmark
574d
A Two-Structure Equation of State for Super Cooled and Stretched Light and Heavy Water
Michal Duška, University of Maryland; Jan Hruby, Academy of Sciences of the Czech Republic; Frédéric Caupin, Université de Lyon, Institut Universitaire de France; Mikhail A. Anisimov, University of Maryland
574e
Can Molecular Simulations Predict the Binary Interaction Parameters of the Activity Coefficient Models?
Ashwin Ravichandran, Texas Tech University; Rajesh Khare, Texas Tech University; Chau-Chyun Chen, Texas Tech University
574f
A Wertheim Activity Coefficient Model for Associating Mixtures
Aseel M. Bala, Michigan State University; William G. Killian, Michigan State University; Jackson A. Storer, Michigan State University; James E. Jackson, Michigan State University; Paul M. Mathias, Fluor Corporation; Navin Patel, Consultant; Timothy C. Frank, The Dow Chemical Company; Dung T. Vu, The Dow Chemical Company; Eric L. Cheluget, UoP-Honeywell; Carl T. Lira, Michigan State University
574g
Understanding the Role of Intermolecular Forces in Molecular-Based Equations of State: 20 Years of the Soft-SAFT Equation
Lourdes F. Vega, Khalifa University of Science and Technology. The Petroleum Institute; Fèlix Llovell, IQS School of Engineering. Universitat Ramon Llull; Felipe J. Blas, University of Huelva; Oriol Vilaseca, Alya Technology & Innovation; Joao A. P. Coutinho, CICECO, Universidade de Aveiro; Jordi Torné, Alya Technology & Innovation
196b
Coarse-Grained Modeling of Polymer Materials in Molecular Simulations with SAFT-γ Mie Corresponding States Correlation Specified Potentials
Amulya Pervaje, NC State University; Saad A. Khan, North Carolina State University; Erik E. Santiso, North Carolina State University
574h
New SAFT Eos for Electrolyte Solution
Reza Shahryari, Iran University of Science and Technology; Mohammad Reza Dehghani, Iran University of Science and Technology
Abstract Submissions Closed
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