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Title: Coarse-grained molecular dynamics simulation of the interface behaviour and self-assembly of CTAB cationic surfactants

We study surfactant molecules at interfaces, micelles and their self-assembly with different models (all atomic and coarse grained).
Authors:
ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [1]
  1. Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), E-08193 Bellaterra, Spain
Publication Date:
Grant/Contract Number:
Contract DE-AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 20 Journal Issue: 41; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1477128

Illa-Tuset, Sílvia, Malaspina, David C., and Faraudo, Jordi. Coarse-grained molecular dynamics simulation of the interface behaviour and self-assembly of CTAB cationic surfactants. United Kingdom: N. p., Web. doi:10.1039/C8CP04505D.
Illa-Tuset, Sílvia, Malaspina, David C., & Faraudo, Jordi. Coarse-grained molecular dynamics simulation of the interface behaviour and self-assembly of CTAB cationic surfactants. United Kingdom. doi:10.1039/C8CP04505D.
Illa-Tuset, Sílvia, Malaspina, David C., and Faraudo, Jordi. 2018. "Coarse-grained molecular dynamics simulation of the interface behaviour and self-assembly of CTAB cationic surfactants". United Kingdom. doi:10.1039/C8CP04505D.
@article{osti_1477128,
title = {Coarse-grained molecular dynamics simulation of the interface behaviour and self-assembly of CTAB cationic surfactants},
author = {Illa-Tuset, Sílvia and Malaspina, David C. and Faraudo, Jordi},
abstractNote = {We study surfactant molecules at interfaces, micelles and their self-assembly with different models (all atomic and coarse grained).},
doi = {10.1039/C8CP04505D},
journal = {Physical Chemistry Chemical Physics},
number = 41,
volume = 20,
place = {United Kingdom},
year = {2018},
month = {10}
}

Works referenced in this record:

Scalable molecular dynamics with NAMD
journal, January 2005
  • Phillips, James C.; Braun, Rosemary; Wang, Wei
  • Journal of Computational Chemistry, Vol. 26, Issue 16, p. 1781-1802
  • DOI: 10.1002/jcc.20289