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Proceedings
2012 AIChE Annual Meeting
Engineering Sciences and Fundamentals
Molecular Simulation and Modeling of Complex Molecules II
2012 AIChE Annual Meeting
Session: Molecular Simulation and Modeling of Complex Molecules II
Chair
Ateeque Malani
, Massachusetts Institute of Technology
Co-Chair
Neeraj Rai
, University of Notre Dame
Presentations
12:30 PM
(710a) Understanding the Mechanisms of Cellulose Dissolution in Ionic Liquids
Ahmed E. Ismail
12:50 PM
(710b) Modeling Biomolecular Structure and Excitation Energy Transfer in Photosynthetic Pigment-Protein Complexes
Linda N. Holyoke, Cynthia S. Lo
01:10 PM
(710c) Polyelectrolyte Interactions At a Conducting Interface: A Simulation Study
Paul Van Tassel
01:30 PM
(710d) Molecular Dynamics Simulations of Thermoresponsive Poly (N-isopropylacrylamide) and Its Copolymer
Hongbo Du
01:50 PM
(710e) Molecular Simulation of Hydration of Zwitterion
Qing Shao, Shaoyi Jiang
02:10 PM
(710f) Structure of Rigid Hard-Ring Fluid
Mariam Nouri, Marc Robert
02:30 PM
(710g) Effects of Asphalt Compositions On Nanoscale Properties by Molecular Simulation
02:50 PM
(710h) Toward a Molecular Model of SiC Nanoporous Membrane: Application of Reactive Molecular Dynamics Simulation to the Study of the Pyrolysis of Hpcs Polymeric Precursor
Saber Naserifar, Lianchi Liu, Theodore T. Tsotsis
