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Title:XSEDE Industrial Challenge, Final Report: Prediction of Micellar Properties using Molecular Simulations
Author(s):Koenig, Peter; Eike, David; Wang Huan; Larson, Ronald; Tang, Xueming; Crosby Lonnie D.
Subject(s):xsede
report
industrial challenge
micelles
rheology
molecular simulation
Abstract:Wormlike Micelles (WLMs) provide the basis for structure and rheology of many consumer products such as laundry detergents, shampoos, body washes, dish detergents. Rheology determines key “touchpoints” of the consumer in handling of products, including the dispensing, pooling, spreading and dissolution of products in use, as well as process transformations such as mixing and bottle filling during manufacturing. This project developed molecular simulation tools to describe the structure and dynamics of WLMs for elucidating the mechanisms leading to different rheological behavior.
Issue Date:2016-02-16
Series/Report:XSEDE Industrial Challenge, Final Report: Prediction of Micellar Properties using Molecular Simulations
Genre:Technical Report
Type:Text
Language:English
URI:http://hdl.handle.net/2142/88892
Sponsor:National Science Foundation OCI-1053575
Date Available in IDEALS:2016-02-16


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