Preliminary Program subject to change
01A15 Computational Studies of Self Assembly I
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)
Co-Sponsor(s)Computational Molecular Science and Engineering Forum (21)

Chair

Venkat Ganesan
University of Texas at Austin
Department of Chemical Engineering
1 University Station, C0400
Austin, TX 78712-1062
Phone Number: 512-471-4856
Fax Number: 512-471-7060
Email: venkat@che.utexas.edu

CoChair

Jan V. Sengers
Research Professor
Institute for Physical Science and Technology
University of Maryland
Building 090
University of Maryland
College Park, MD 20742
Phone Number: (301) 405 4805
Fax Number: (301) 314 9404
Email: sengers@umd.edu
Atomistic and Coarse Grained Simulation of the Aggregation of Beta-Peptides in Solution
Clark A. Miller1, Samuel H. Gellman2 and Juan J. De Pablo1, (1)Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706-1691, (2)Department of Chemistry, University of Wisconsin-Madison, 1101 Univeristy Avenue, Madision, WI 53706
Molecular Simulation of Amphiphilic Dendrimers
Nicholas W. Suek, Department of Chemical and Biological Engineering, Iowa State University, 2114 Sweeney Hall, Ames, IA 50011 and Monica H. Lamm, Chemical and Biological Engineering, Iowa State University, 2114 Sweeney Hall, Ames, IA 50011
The Pair of Potential of Mean Force for Helical Homopolypeptides
Robin Curtis1, Michael W. Deem2 and Ramdas Pophale2, (1)University of Manchester, PO Box 88, Sackville Street, Manchester, M 60 1QD, United Kingdom, (2)Rice University, 6100 Main Street - MS 142, Houston, TX 77005-1892
Computer Simulations of Critical Dynamics in Fluids
Jan V. Sengers1, Subir K. Das2, Michael E. Fisher2, Juergen Horbach3 and Kurt Binder4, (1)University of Maryland, IPST, College Park, MD 20742, (2)University of Maryland, College Park, MD, (3)Gutenberg Universitaet Mainz, Mainz, Germany, (4)Institute of Physics, University of Mainz, Staudinger Weg 7, Mainz, D-55099, Germany
Multi-Scale Modeling of Self-Assembly in Surfactant Systems
Gunjan Mohan and Dmitry I. Kopelevich, Department of Chemical Engineering, University of Florida, PO Box 116005, Gainesville, FL 32611
A Molecular-Thermodynamic Theory of Micellization of Mixtures of pH-Sensitive and Conventional Surfactants
Arthur C. Goldsipe, Chemical Engineering, Massachusetts Institute of Technology, 77 Mass. Ave. 66-257, Cambridge, MA 02139 and Daniel Blankschtein, Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Bldg 66-444, Cambridge, MA 02139
Phase Diagrams of Symmetric Diblock Copolymers Confined between Two Homogeneous Surfaces
Dong Meng, Department of Chemical Engineering, Coloraldo State University, Fort Collins, CO 80523 and Qiang Wang, Chemical Engineering, Colorado State University, 1370 Campus Delivery, Fort Collins, CO 80523-1370
Effects of Polydispersity on the Stability of Aqueous Block Copolymer Assemblies
Vanessa Ortiz, Univ.Pennsylvania, 112 Towne Bldg, Philadelphia, PA 19104, Michael L. Klein, Department of Chemistry, University of Pennsylvania, 231 S. 34 Street, Philadelphia, PA 19104-6323 and Dennis E. Discher, Chemical & Biomolecular Engineering, University of Pennsylvania, 220 South 33rd Street, Room 112 Towne Bldg., Philadelphia, PA 19104-6391
Simulation Studies of the Stability of Phospholipid Bilayers in Clathrate Hydrates
Amadeu K. Sum, Department of Chemical Engineering, Virginia Polytechnic Institute and State University, 142A Randolph Hall (0211), Blacksburg, VA 24061

Engineering Sciences and Fundamentals