Industrial Applications of Computational Chemistry and Molecular Simulation I

Chair(s):
Golab, J. T., INEOS Technologies
Co-chair(s):
Moore, J., The Dow Chemical Company
Westmoreland, P. R., North Carolina State University
Browning, A. R., The Boeing Company

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

Papers:
8:30 AM
(63a) Applications of Computational Chemistry and Molecular Simulation for Product and Process Development
9:00 AM
(63b) Force Field Assessment for Predicting Vapor-Liquid Equilibrium of Water in Ionic Liquids
9:20 AM
(63c) Accurate Calculations of Partition Coefficients (Log POW and Log PMW) with Atomistic Simulation Methods
9:40 AM
(63d) Molecular Dynamics Simulations of Structure-Property Relationships of Tween® 80 in Water and at Interfaces
10:00 AM
(63e) Computational Screening of Cellulosic Excipients for Drug Delivery
10:20 AM
(63f) Application of Molecular Simulations: Molecular Understanding of Electrospinning
10:40 AM
(63g) Vapor-Liquid Coexistence Data for p-Cymene Using Equation of State Methods and Monte Carlo Simulations
Topics: 
Thermodynamics
Physical Properties

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