Preliminary Program subject to change
03002 Multiscale Modeling of Nanoparticle Systems
OverviewNanoparticle Systems are becoming increasingly important to practical applications in pharmaceuticals and medical diagnostics, advanced materials, and microelectronics. However, as the focus of interest gradually shifts from fundamental science to industrial applications, there is a growing need to understand how the presence of nanoparticles affects both the functionality of the finished products and the requirements of the manufacturing processes. Moreover, an important component of developing nanoparticle systems at the manufacturing scale is to address environmental health and safety issues that could become especially challenging for hard-to-detect nanoscopic materials. Clearly, addressing these issues in a rigorous manner requires methodologies that facilitate information transfer across physical scales. In this session we encourage papers that utilize multiscale methods in order to achieve a fundamental understanding of nanoparticle formation mechanisms and applications to the environment, biomedical problems and industrial manufacturing. Specifically we welcome papers that address: (i) fundamental mechanisms of nanoparticle formation (ii) nanoparticle systems functionality and optimization of the performance of products, (iii) design of optimized and controllable manufacturing processes and (iv) multiscale methods to predict the ultimate fate of nanoscale materials in the body and in the environment.
Primary SponsorParticle Technology Forum (03)
Co-Sponsor(s)Nanoscale Science and Engineering Forum (See also Topical F) (22)

Chair

M. Silvina Tomassone
Professor
Rutgers University
Department of Chemical & Biochemical Engineering
98 Brett Road
Piscataway, NJ 08854
Phone Number: (732) 445-2972
Fax Number: (732) 445-2581
Email: silvina@sol.rutgers.edu

CoChair

Yee Chiew
Professor
Chemical And Biochemical Engineering
Rutgers University
98 Brett road
Piscataway, NJ 08854
Phone Number: 732-445-0315
Fax Number: 732-445-2421
Email: ychiew@SOemail.RUTGERS.EDU
Study of Water Adsorption on Nanoparticle Surface and Phase Transformation during Nanoparticle Sintering Via Molecular Dynamics Simulations of Tio2 Nanoparticles
Vishal N. Koparde, Vanderbilt University, 107 Olin Hall, Department of Chemical Engg., VU Station B-351604, 24th and Garland Avenues, Nashville, TN 37235-1604 and Peter T. Cummings, Chemical Engineering, Vanderbilt University, Olin Hall, 24th and Garland, Nashville, TN 37235
Molecular Dynamics Simulation of Nanoparticle Self-Assembly at a Liquid-Liquid Interface
Mingxiang Luo, Chemical Engineering, Texas Tech University, Lubbock, TX 79409, Oleg A. Mazyar, Chemistry, Texas Tech University, Lubbock, TX 79424, Qing Zhu, Chemical Engineering, Texas Tech University, Chemical Engineering Department, P. O. Box 43121, Lubbock, TX 79409-3121, Mark W. Vaughn, Texas Tech University, Chemical Engineering Department, P. O. Box 43121, Lubbock, TX 79409-3121, William L. Hase, Chemistry, Texas Tech University, Lubbock, TX 79409 and Lenore L. Dai, Texas Tech University, 6th & Canton, Dept. of Chemical Engineering, Lubbock, TX 79409
Molecular Dynamics Simulation of Nano-Scale Lubricant Films in Humidity
Haigang Chen, Qian Guo and Myung S. Jhon, Chemical Engineering and Data Storage Systems Center, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, PA 15213
Molecular Dynamics Modelling of Nanodroplet Spraying on Liquid Substrates
Dan Lussier, Yiannis Ventikos and Nikolaos Kakalis, Engineering Science, University of Oxford, Parks Road, Oxford, OX1 3PJ, United Kingdom
Collection Efficiency of Nanosize Particles in an Electrostatic Precipitator
Panagiotis D. Christofides, Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, Los Angeles, CA 90095 and Mingheng Li, Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, CA 90095
Modeling Aqueous Environments in Pre-Nucleation Silicate Species
Charles L. Schaffer and Kendall T. Thomson, School of Chemical Engineering, Purdue University, Forney Hall of Chemical Engineering, 480 Stadium Mall Drive, West Lafayette, IN 47907
Slip Flow in Nanofluidics: Slip Length Vs. Contact Angle on Hydrophobic Surfaces from Nonequilibrium Molecular Dynamics
Lloyd L. Lee, Department of Chemical and Materials Engineering, The California State University Pomona, 3801 West Temple Avenue, Building 17-2114, Pomona, CA 91768, Roman S. Voronov, School of Chemical, Biological, and Materials Engineering, University of Oklahoma, 100 E. Boyd, SEC Room 311, Norman, OK 73019 and Dimitrios V. Papavassiliou, The University of Oklahoma, School of Chemical, Biological and Materials Engineering, 100 East Boyd, SEC T335, Norman, OK 73019

Particle Technology Forum