Monday, 31 October 2005: 8:00 AM-10:30 AM
Grand Ballroom A (Millennium Hotel)

Thermodynamics and Transport Properties (01a)

#28 - Mathematical and Computational Techniques for Solvent Mediated Interactions (01A07)
This session deals with analytical or simulation approaches to both equilibrium and dynamical phenomena involving interactions between surfaces, colloidal particles, nanoparticles, polymers, proteins and/or other biomacromolecules in aqueous or organic solvents. Emphasis is on topics specifically related to the solvent effects and possible analytical/simulation approaches to coarse-graining such effects. Furthermore, molecular modeling methods pertaining to solvent-mediated interactions and their applications to predict the mesoscopic or macroscopic properties of materials, function, thermodynamic and dynamic behavior of biomacromolecules are also appropriate.
CoChair:Jianzhong Wu
Chair:Venkat Ganesan
8:00 AMHydrophobic Hydration at Small and Large Lengthscales: Understanding, Manipulating and Predicting the Crossover
Sowmianarayanan Rajamani, Thomas M. Truskett, Shekhar Garde
8:15 AMField Theoretic Study of Surface-Modified Nanoparticles in Block Copolymer Melts
Eric Cochran, Glenn Fredrickson
8:30 AMInteractions between Nanoparticles in Solutions of Polymers
Venkat Ganesan, Megha Surve, Victor Pryamitsyn
8:45 AMColloidal Stabilisation by Nano-Particle Halos
Ard Louis
9:00 AMNonlinear Screening Theory for Charged Colloids
René Van Roij
9:15 AMMolecular-Dynamics Simulation of the Solvation of Colloidal Nanoparticles
Kristen A. Fichthorn, Yong Qin
9:30 AMSolvation Forces Due to Multiply Attachable Copolymers: a Density Functional Approach
Dapeng Cao, Jianzhong Wu
9:45 AMCoarse-Grained Potentials from Widom's Particle Insertion Method
Naresh Chennamsetty, Henry Bock, Keith E. Gubbins
10:00 AMSolvation Model Based on Order Parameters and Fast Sampling Method for the Calculation of the Solvation Free Energies of the Peptides
Chong Gu, Steve R. Lustig, Bernhardt L. Trout
10:15 AMInvestigation of the Role of Geometry and Fluid Structure in the Description of Depletion Forces Via Scaled Particle Theory-Based Integral Equations for Hard Sphere Fluids
Daniel W. Siderius, David S. Corti
Sponsor:Engineering Sciences and Fundamentals
Cosponsors:Computing and Systems Technology Division

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