Preliminary Program subject to change
01C27 Nano-scale Modeling of Interfacial Systems
OverviewWe seek papers describing molecular, mesoscopic, continuum, and multi-scale modeling of interfacial phenomena, with a special emphasis on systems exhibiting unique and technologically useful behavior owing to their nanometer length scale. Topics may include - but are not limited to - colloidal dispersions, adsorption in nanopores, protein/polymer/colloid adsorption, interfacial self-assembly, and nanofluidics. Contributions focusing on thermodynamic, dynamic, or hydrodynamic modeling - including all forms of molecular simulation - are encouraged.
Primary SponsorInterfacial Phenomena (01c)

Chair

Paul R. Van Tassel
Associate Professor
Dept. of Chemical Engineering
Yale University
P.O. Box 208286
New Haven, CT 06520
Phone Number: 203-432-7983
Email: paul.vantassel@yale.edu

CoChair

Elias I. Franses
Professor
Purdue University
480 Stadium Mall Drive
West Lafayette, IN 47907-2100
Phone Number: (765)494-4078
Fax Number: (765) 494-0805
Email: franses@ecn.purdue.edu
* Membership Number 72328
Molecular Modeling of Transport across Surfactant-Covered Interfaces of Microemulsions
Ashish Gupta, Anuj Chauhan and Dmitry I. Kopelevich, Department of Chemical Engineering, University of Florida, Gainesville, FL 32611
Molecular Dynamics Study of Propanic Acids at the Water-Isobutanol Interfaces
Hirofumi Daiguji and Kenji Nanataki, Institute of Environmental Studies, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, Japan
Dendrimer-Tetrachloroplatinate Precursor Interactions: Structure and Energetics
Francisco Tarazona-Vasquez and Perla B. Balbuena, Department of Chemical Engineering, Texas A&M University, College Station, TX 77843
Inverse Density Functional Theory as a Tool for Measuring Colloid-Surface Interactions
Mingqing Lu, Richard Beckham, Michael A. Bevan and David M. Ford, Department of Chemical Engineering, Texas A&M University, TAMU 3122, College Station, TX 77843-3122
Simplified Crossover Droplet Model for Adsorption of Critical and Supercritical Fluids in Slit Nano-Pores
Sergei B. Kiselev, Chemical Engineering Department, Colorado School of Mines, 1500 Illinos St., Golden, CO 80401-1887 and James F. Ely, Chemical Engineering Department, Colorado School of Mines, 1500 Illinos St., Golden, CO 80401-1887
Colloidal Interactions in Mixtures of Symmetric and Asymmetric Electrolytes: a Monte Carlo Study
Patricia Taboada-Serrano, Georgia Institute of Technology, Georgia Institute of Technology, Atlanta, GA 30332-0512, Sotira Yiacoumi, Georgia Tech, Georgia Institute of Technology, Atlanta, GA 30332-0512 and Costas Tsouris, Oak Ridge National Laboratory, Separations and Materials Research Group, P.O. Box 2008, Oak Ridge, TN 37831-6181
Microscopic Approach for the Design of Surfactants for Pmdi-Based Formulations: Ab Initio Calculations and Chemical Force Microscopy
Robson S. Peguin, Libo Wu and Sandro R. P. Da Rocha, ChE, Wayne State University, 5050 Anthony Wayne Dr., Detroit, MI 48202

Engineering Sciences and Fundamentals