Industrial Applications of Computational Chemistry and Molecular Simulations II | AIChE

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Industrial Applications of Computational Chemistry and Molecular Simulations II

Contributions describing industrial applications of computational chemistry and/or molecular simulations. Contributions focusing on combined experimental and theoretical approaches are particularly appropriate for this session.

Presentations

12:30 PM
(279a) On the Chemistry of Deformation: Theory of Solute Strengthening in Aluminum and Magnesium Alloys
1:00 PM
(279b) Semi-Empirical AM1, PM3 and PM6 Calculations On the Metakaolin Molecular Structure: Practical Application in Geopolymer Cement Production
1:20 PM
(279c) Theoretical and Experimental Studies of Water Absorption Into Ionic Liquids
1:40 PM
(279d) Understanding Backbiting and Beta-Scission Reactions in Self-Initiated Polymerization of Methyl Acrylate: A Theoretical Study
2:00 PM
(279e) A Theoretical Study of Mechanisms for Chain Transfer to Monomer Reactions in Alkyl Acrylates
2:20 PM
(279f) From Quantum Chemistry to Diesel Injector Deposits: Revisiting Liquid Phase Oxidation
2:40 PM
(279g) Pathways of Liquefied Petroleum Gas Pyrolysis to Acetylene in Hydrogen Plasma: A Density Functional Theory Study

Topics 

Thermodynamics

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Individuals

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

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