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