145 Industrial Applications of Computational Chemistry and Molecular Simulation II

Monday, November 9, 2015: 12:30 PM - 3:00 PM
255A (Salt Palace Convention Center)

Description:
Contributions describing industrial applications of computational chemistry and/or molecular simulations.

Sponsor:
Computational Molecular Science and Engineering Forum
Co-Sponsor(s):
Thermodynamics and Transport Properties (01A)
Chair:
Joseph T. Golab Email: Joseph.Golab@ineos.com
Co-chairs:
Andrea R. Browning Email: andrea.r.browning@boeing.com
Martin Sanborn Email: Martin.Sanborn@ineos.com
Phillip R. Westmoreland Email: prwestmo@ncsu.edu
Jonathan D. Moore Email: jmoore2@dow.com


12:30 PM
(145a) Development of a Molecular Model of Crude Oil: Applications in Enhanced Oil Recovery
Nitish Nair, Kunj Tandon, Yusuf Kar, Hemalata Badiger, Marten Buijse, Johannes G. E. M. Fraaije and Jan-Willem Handgraaf


12:50 PM
(145b) Rheological Study of Asphalt Using Molecular Simulation and Signal Processing
Mohammad Masoori and Michael L. Greenfield


1:10 PM
Break


1:30 PM
(145d) Molecular Simulation of Organic Electrolyte Solutions
Maximilian Kohns, Steffen Reiser, Martin Horsch and Hans Hasse


1:50 PM
(145e) Using Atomistic Simulation to Determine the Optimal Aggregation Number of a Micelle, and Its Equilibrium with Polymer Surface in Aqueous Solution
Zifeng Li, Timothy Dipaolo, Kristen Fichthorn and Scott T. Milner


2:10 PM
(145f) Pseudo Phase Diagrams of Supported Lipid Bilayers Formation: A Density Functional Theory Study
Xian Kong, Diannan Lu, Jianzhong Wu and Zheng Liu


2:30 PM
(145g) Prediction of Vapor and Sublimation Pressure for Pure Compounds from the Modified PR+Cosmosac Equation of State
Li-Hsin Wang and Shiang-Tai Lin


2:50 PM
Discussion
See more of this Group/Topical: Computational Molecular Science and Engineering Forum
<< Previous Session | Next Session >>