Industrial Applications of Computational Chemistry and Molecular Simulations I | AIChE

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Industrial Applications of Computational Chemistry and Molecular Simulations I

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

Presentations

8:30 AM
(218a) Using Computational Methods At Boeing to Solve Emerging Material Issues
9:00 AM
(218b) Separation of Ethanol and Water: Molecular-Level Insights On Extraction and Adsorption Systems
9:20 AM
(218c) Solvation Free Energies and 1-Octanol/Water Partition Coefficients of Nitroaromatic Compounds Using Molecular Simulation Techniques
9:40 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

Topics 

Thermodynamics

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AIChE Pro Members $150.00
AIChE Graduate Student Members Free
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AIChE Explorer Members $225.00
Non-Members $225.00

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