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Publications
Proceedings
2012 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Industrial Applications of Computational Chemistry and Molecular Simulations I
2012 AIChE Annual Meeting
Session: Industrial Applications of Computational Chemistry and Molecular Simulations I
Presentations
08:30 AM
(218a) Using Computational Methods At Boeing to Solve Emerging Material Issues
09:00 AM
(218b) Separation of Ethanol and Water: Molecular-Level Insights On Extraction and Adsorption Systems
09:20 AM
(218c) Solvation Free Energies and 1-Octanol/Water Partition Coefficients of Nitroaromatic Compounds Using Molecular Simulation Techniques
09:40 AM
(218d) Molecular Behavior of Water Confined in TiO2 Nano-Slits Using Classical, Reactive and Ab Initio Molecular Dynamics
10:00 AM
(218e) Fick Diffusion Coefficients In Ternary Liquids From Equilibrium Molecular Dynamics
10:40 AM
(218g) Ethane/Ethylene Separation by Simulated Moving Bed: From Molecular Simulations to Process Design
