| Preliminary Program subject to change |
| 01A19 Computational Studies of Self-Assembly II |
| This 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. |
| Thermodynamics and Transport Properties (01a) |
| Computational Molecular Science and Engineering Forum (21) |
Chair
Alberto Striolo
School of Chemical Biological and Materials Engineering
The University of Oklahoma
Norman, OK 73019
Phone Number: 405-325-5716
Fax Number: 405-325-5813
Email: astriolo@ou.edu
CoChair
Hank Ashbaugh
Assistant Professor
Chemical and Biomolecular Engineering
Tulane University
327 Lindy Boggs Building Tulane University
New Orleans, LA 70118
Phone Number: 504-862-8258
Email: hanka@tulane.edu
|
Dynamics of Formation and Disintegration of Ionic and Non-Ionic Spherical Micelles
Gunjan Mohan and Dmitry I. Kopelevich, Department of Chemical Engineering, University of Florida, Gainesville, FL 32611 |
Computation of the Thermodynamic and Structural Properties of Surfactant Tails In a Micelle Core Using a Monte-Carlo, Mean-Field Approach
Jonathan D. Mendenhall and Daniel Blankschtein, Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 |
Controlling Phase-Separated Patterns on Surfactant-Coated Nanotubes and Nanorods: Insights from Molecular Simulation
Chetana Singh, Department of Chemical Engineering, University of Michigan, Ann Arbor, MI 48109-2136 and Sharon C. Glotzer, Chemical Engineering and Materials Science and Engineering, University of Michigan, 2300 Hayward Street, Ann Arbor, MI 48109 |
Analysis of Molecular Dynamics Simulations of the Self-Assembly of Coarse Grained Surfactant Models
Samantha A. Sanders and Athanassios Z. Panagiotopoulos, Department of Chemical Engineering, Princeton University, Engineering Quad, Princeton, NJ 08544 |
Molecular Dynamics Simulation of the Mesophase Behavior of a Model Bolaamphiphilic Liquid Crystal with a Lateral Flexible Chain
Francisco Martínez-Veracoechea1, Fernando A. Escobedo1, Andrew J. Crane2 and Erich A. Muller2, (1)School of Chemical and Biomolecular Engineering, Cornell University, 120 Olin Hall, Ithaca, NY 14853, (2)Department of Chemical Engineering, Imperial College London, London, SW7 2AZ, United Kingdom |
Self-Assembly of Diblock Copolymers In Nanopatterned Confinement: Insight from Dissipative Particle Dynamics Simulations
Martin Lisal, E. Hala Laboratory of Thermodynamics, Academy of Sciences of the Czech Republic, Rozvojova 135, Suchdol, Prague, 165 02, Czech Republic and John K. Brennan, Weapons and Materials Research Directorate, U.S. Army Research Laboratory, Building 4600, Aberdeen Proving Ground, MD 21005 |
Effects of Coarse-Graining on the Behavior of Self-Assembling Systems
Justin R. Spaeth, Dr. Athanassios Z. Panagiotopoulos and Dr. Yannis G. Kevrekidis, Chemical Engineering, Princeton University, Princeton, NJ 08540 |
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