XSEDE industrial challenge, final report: Prediction of micellar properties using molecular simulations

Tang, Xueming; Koenig, Peter; Eike, David; Wang, Huan; Larson, Ronald; Crosby Lonnie D.

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https://hdl.handle.net/2142/88892 Copy

Description

Title

XSEDE industrial challenge, final report: Prediction of micellar properties using molecular simulations

Author(s)

• Tang, Xueming
• Koenig, Peter
• Eike, David
• Wang, Huan
• Larson, Ronald
• Crosby Lonnie D.

Issue Date

2016-02-16

Keyword(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.

Series/Report Name or Number

XSEDE Industrial Challenge, Final Report: Prediction of Micellar Properties using Molecular Simulations

Type of Resource

text

Language

en

Permalink

http://hdl.handle.net/2142/88892

Sponsor(s)/Grant Number(s)

National Science Foundation OCI-1053575

Owning Collections