sponsored byIEEEACMThe International Conference for High Performance 
Computing, Networking, Storage and Analysis
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SCHEDULE: NOV 16-21, 2014

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Digital Consumer Products: Surfactant Properties from Molecular Simulations

SESSION: Wednesday HPC Impact Showcase Presentations

EVENT TYPE: HPC Impact Showcase & Emerging Technologies

TIME: 1:40PM - 2:20PM

SESSION CHAIR: David Halstead

Speaker(s):Peter H. Koenig

ROOM:Show Floor - 233 Theater


Wormlike Micelles (WLMs) provide the basis for structure and rheology of many consumer products. The composition, including concentration of surfactants and level of additives such as perfumes and salt, critically controls the structure and rheological properties of WLM formulations. An extensive body of research is dedicated to the experimental characterization and modeling of properties of WLMs. However, the link to the molecular composition and micellar scale has only received limited attention, limiting rational design of WLM formulations. We are developing and refining methods to predict properties of micelles including cross-sectional geometry and composition, persistence length (relating to the bending stiffness) and scission energy using molecular dynamics simulations. This presentation will give an overview of the modeling program with participants from Procter and Gamble, U. Michigan, XSEDE, Oak Ridge National Labs and U. Cincinnati.

Speaker Details:

David Halstead (Chair) - National Radio Astronomy Observatory

Peter H. Koenig - Procter & Gamble

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