Please use this identifier to cite or link to this item: https://doi.org/10.1080/08927020601158679
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dc.titleMolecular dynamics simulation of polyelectrolyte with oppositely charged monomeric and dimeric surfactants
dc.contributor.authorXu, Y.
dc.contributor.authorFeng, J.
dc.contributor.authorLiu, H.
dc.contributor.authorHu, Y.
dc.contributor.authorJiang, J.
dc.date.accessioned2014-10-09T06:54:10Z
dc.date.available2014-10-09T06:54:10Z
dc.date.issued2007-03
dc.identifier.citationXu, Y., Feng, J., Liu, H., Hu, Y., Jiang, J. (2007-03). Molecular dynamics simulation of polyelectrolyte with oppositely charged monomeric and dimeric surfactants. Molecular Simulation 33 (3) : 261-268. ScholarBank@NUS Repository. https://doi.org/10.1080/08927020601158679
dc.identifier.issn08927022
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/89473
dc.description.abstractInteractions of anionic polyelectrolyte (PE) with cationic monomeric (MS) and dimeric surfactants (DS) have been investigated by coarse-grained molecular dynamics (MD) simulation. A PE/surfactant mixture is observed to evolve over time into micellar complex of increasing size. The critical aggregation concentration (CAC) is qualitatively found to be much lower than the critical micellization concentration (CMC) of the free surfactant. Compared to the monomeric analog, a DS interacts more strongly with the oppositely charged polyion chain. The equilibrium complex size becomes larger with increasing surfactant concentration. Simulation results are consistent with experimental observations and reveal that the electrostatic and hydrophobic interactions play an important role in the formation of micellar complex.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1080/08927020601158679
dc.sourceScopus
dc.subjectInteractions
dc.subjectMolecular dynamics
dc.subjectPolyelectrolyte
dc.subjectSurfactant
dc.typeArticle
dc.contributor.departmentCHEMICAL & BIOMOLECULAR ENGINEERING
dc.description.doi10.1080/08927020601158679
dc.description.sourcetitleMolecular Simulation
dc.description.volume33
dc.description.issue3
dc.description.page261-268
dc.description.codenMOSIE
dc.identifier.isiut000244898300006
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