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2011 Annual Meeting

Session: Industrial Applications of Computational Chemistry and Molecular Simulation II

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Pricing

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

Presentations

12:30 PM

(300a) The Factory of the Future: Integrating Multiscale Modeling and Experiments to Produce New, Better Nanocomposite Materials

Sabrina Pricl, Maurizio Fermeglia, Paola Posocco, Radovan Toth, Francesca Santese, Daniel R. Nieto

12:50 PM

(300b) Modeling Industrial Ethane Steam Cracking From First Principles

Wenjie Sun

01:10 PM

(300c) Molecular Modeling of a Key Step In Metal-Mediated Controlled Free Radical Polymerization of Acid Monomers

Susan Fitzwater

01:30 PM

(300d) Computational Study of the Cyclohexanone-Based Initiation Mechanism In Thermal Polymerization of Methyl Acrylate and Methyl Methacrylate

Andrew Rappe, Shi Liu, Michael C. Grady

01:50 PM

(300e) Chain Transfer to Polymer Reactions In Thermal Polymerization of Methyl Acrylate: Computational Study

Andrew Rappe, Michael C. Grady

02:10 PM

(300f) Computational Screening of Sorbents for Mercury Capture At Elevated Temperatures

David Couling, Hoang Viet Nguyen

02:30 PM

(300g) A Theoretical Study of SO2 Capture by Hydroxyl Ammonium Ionic Liquids

Zhang Suojiang, Hongyan He, Xiaoqian Yao