Preliminary Program subject to change
01A10 Computational Studies of Self Assembly
OverviewThis session seeks papers that explore the thermodynamics, structural and dynamical properties of self-assembled systems. Subjects of interest include, but are not limited to: colloidal forces driving assembly, hierarchical organization, structural transitions, phase behavior, and multi-scale models spanning molecular to mesoscopic length and time scales for assembly. The emphasis is on simulation and computational papers, but theoretical models and complementary experimental papers are also welcome.
Primary SponsorThermodynamics and Transport Properties (01a)

Chair

Hank Ashbaugh
Department of Chemical and Biomolecular Engineering
Tulane University
6823 St. Charles Avenue
New Orleans, LA 70118
Phone Number: 504-314-2927
Email: hanka@tulane.edu

CoChair

John K. Brennan
Research Chemical Engineer
Weapons and Materials Research Directorate
U.S. Army Research Laboratory
Building 4600
Aberdeen Proving Ground, MD 21005
Phone Number: 410-306-0678
Email: jbrennan@arl.army.mil
Alkanethiol Self-Assembled Monolayers On Metal Nanoparticles: A Molecular Dynamics Simulation Study
Pradip K. Ghorai, Chemical Engineering, University of Michigan, 2300 Hayward St., 3074 H.H. Dow Building, Ann Arbor, MI 48109 and Sharon C. Glotzer, Dept. of Chemical Engineering, University of Michigan, 2300 Hayward Street, Ann Arbor, MI 48109-2136
Self-Assembly Of Peptides On Montmorillonite Nanoparticles
Hendrik Heinz1, Pratyush Dayal1, Lawrence F. Drummy2, Rajesh R. Naik2 and B. L. Farmer2, (1)Dept of Polymer Engineering, University of Akron, Akron, OH 44325-0301, (2)Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson-AFB, OH 45433
Coarse-Graining A Realistic Molecular Model Of Linear-Dendritic Block Copolymers For The Simulation Of Self-Assembly
Nicholas W. Suek, Department of Chemical and Biological Engineering, Iowa State University, 2114 Sweeney Hall, Ames, IA 50011, Gaurav Pranami, Chemical and Biological Engineering, Iowa State University, 2114 Sweeney Hall, Ames, IA 50011-2230 and Monica H. Lamm, Chemical and Biological Engineering, Iowa State University, 2114 Sweeney Hall, Ames, IA 50011
Modeling Convective Assembly During Colloidal Crystal Growth
David Gasperino, Chemical Engineering and Materials Science, University of Minnesota, 151 Amundson Hall, Minneapolis, MN 55455, Linli Meng, Chemical Engineering and Materials Science Dept., University of Minnesota, Department of Chemical Engineering and Materials Science, 421 Washington Avenue SE, Minneapolis, MN 55455-0132, David J. Norris, Chemical Engineering & Materials Science, University of Minnesota, 421 Washington Avenue SE, Minneapolis, MN 55455 and Jeffrey J. Derby, Chemical Eningeering and Materials Science, University of Minnesota, 151 Amundson Hall, Minneapolis, MN 55455-0132
Molecular Structure and Interactions of Cholesterol Superlattices and Random Domains in An Unsaturated Phosphatidylcholine Bilayer Membrane
Mark W. Vaughn, Texas Tech University, Chemical Engineering Department, P. O. Box 43121, Lubbock, TX 79409-3121, Qing Zhu, Chemical Engineering, Texas Tech University, Chemical Engineering Department, P. O. Box 43121, Lubbock, TX 79409-3121 and Kelvin Cheng, Physics, Texas Tech University, Chemical Engineering Department, P. O. Box 43121, Lubbock, TX 79409-3121
Molecular Dynamics Of Reverse Micelles: Simulation Time And Pre-Built Structures Considerations In The Modeling Of The Aot-Water-Isooctane System
Victor R. Vasquez, University of Nevada, Reno, Dept. of Chemical Engineering, Mail Stop 170, Reno, NV 89557-0136, Adam Gardner, Chemical Engineering, University of Nevada, Reno, Dept. of Chemical Engineering, Mail Stop 170, Reno, NV 89557-0136 and Olivia Graeve, Material Sciences, University of Nevada, Reno, Reno, NV 89557-0136
Monte Carlo Simulations Of Binary Amphiphile Mixtures
Jonathan R. Davis and Athanassios Z. Panagiotopoulos, Department of Chemical Engineering, Princeton University, Princeton, NJ 08540

Engineering Sciences and Fundamentals