Preliminary Program subject to change
01A07 Mathematical and Computational Techniques for Solvent Mediated Interactions
OverviewThis 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.
Primary SponsorThermodynamics and Transport Properties (01a)

Chair

Venkat Ganesan
Department of Chemical Engineering
University of Texas at Austin
Austin, TX 78712-1062

Phone Number: 512-471-4856
Fax Number: 512-471-7060
Email: venkat@che.utexas.edu

CoChair

Jianzhong Wu
Assistant Professor
University of California at Riverside
Department of Chemical and Environmental Engineering
A317 Bourns Hall
Riverside, CA 92521
Phone Number: (909) 787 2413
Fax Number: (909) 787 5696
Email: jwu@engr.ucr.edu
Hydrophobic Hydration at Small and Large Lengthscales: Understanding, Manipulating and Predicting the Crossover
Sowmianarayanan Rajamani, Department of Chemical and Biological Engineering, Rensselaer Polytechnic Institute, 110 8th Street, Troy, NY 12180, Thomas M. Truskett, Department of Chemical Engineering and Institute for Theoretical Chemistry, The University of Texas at Austin, Austin, TX 78712 and Shekhar Garde, Rensselaer Polytechnic Institute, Dept of Chemical Engineering, RPI, 110 8th Street, Troy, NY 12180
Field Theoretic Study of Surface-Modified Nanoparticles in Block Copolymer Melts
Eric Cochran, Materials Research Laboratory, University of California, Santa Barbara, Materials Research Laboratory, Santa Barbara, CA 93106-5121 and Glenn Fredrickson, Materials Research Laboratory, University of California, Santa Barbara, Materials Research Laboratory, University of California, Santa Barbara, Santa Barbara, CA 93106-5121
Interactions between Nanoparticles in Solutions of Polymers
Venkat Ganesan1, Megha Surve2 and Victor Pryamitsyn2, (1)Department of Chemical Engineering, University of Texas at Austin, Department of Chemical Engineering, C0400, Austin, TX 78712, (2)Chemical Engineering, University of Texas at Austin, Department of Chemical Engineering, C0400, Austin, TX 78712
Colloidal Stabilisation by Nano-Particle Halos
Ard Louis, Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1HW, Cambridge, United Kingdom
Nonlinear Screening Theory for Charged Colloids
René Van Roij, Institute for Theoretical Physics, Utrecht University, Leuvenlaan4, Utrecht, Netherlands
Molecular-Dynamics Simulation of the Solvation of Colloidal Nanoparticles
Kristen A. Fichthorn, Dept. of Chemical Engineering, The Pennsylvania State University, 164 Fenske Laboratory, University Park, PA 16802 and Yong Qin, The Pennsylvania State University, 174 Fenske Lab., University Park, PA 16801
Solvation Forces Due to Multiply Attachable Copolymers: a Density Functional Approach
Dapeng Cao, University of California, 900 university avenue, Riverside, CA 92521 and Jianzhong Wu, University of California at Riverside, Department of Chemical and Environmental Engineering, A317 Bourns Hall, Riverside, CA 92521
Coarse-Grained Potentials from Widom's Particle Insertion Method
Naresh Chennamsetty, Henry Bock and Keith E. Gubbins, Department of Chemical and Biomolecular Engineering, North Carolina State University, 911 Partners Way, Campus Box 7905, Raleigh, NC 27695
Solvation Model Based on Order Parameters and Fast Sampling Method for the Calculation of the Solvation Free Energies of the Peptides
Chong Gu, Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue 66-019, Cambridge, MA 02139, Steve R. Lustig, Central Research & Development, The DuPont Company, Experimental Station, Route 141, Wilmington, DE 19880-0356 and Bernhardt L. Trout, Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, 66-458, Cambridge, MA 02139
Investigation 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, Purdue University, 480 Stadium Mall Drive, West Lafayette, IN 47907-2050 and David S. Corti, School of Chemical Engineering, Purdue University, 480 Stadium Mall Drive, West Lafayette, IN 47907-2050

Engineering Sciences and Fundamentals