Show simple item record

dc.contributor.authorLavagnini, Ennio
dc.contributor.authorCook, Joanne L
dc.contributor.authorWarren, Patrick B
dc.contributor.authorHunter, Christopher
dc.date.accessioned2022-03-11T00:31:07Z
dc.date.available2022-03-11T00:31:07Z
dc.date.issued2022-03-24
dc.identifier.issn1520-6106
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/334877
dc.description.abstractDissipative particle dynamics (DPD) simulations of nonionic surfactants with an added salt show that the Setschenow relationship is reproduced; that is, the critical micelle concentration is log-linearly dependent on the added salt concentration. The simulated Setschenow coefficients depend on the DPD bead-bead repulsion amplitudes, and matching to the experimentally determined values provides a systematic method to parameterize the interactions between salt ion beads and surfactant beads. The optimized ion-specific interaction parameters appear to be transferrable and follow the same trends as the empirical Hofmeister series.
dc.description.sponsorshipEngineering and Physical Sciences Research Council for financial support
dc.publisherAmerican Chemical Society (ACS)
dc.rightsAll Rights Reserved
dc.rights.urihttp://www.rioxx.net/licenses/all-rights-reserved
dc.titleSystematic Parameterization of Ion-Surfactant Interactions in Dissipative Particle Dynamics Using Setschenow Coefficients.
dc.typeArticle
dc.publisher.departmentDepartment of Chemistry
dc.date.updated2022-03-10T14:02:17Z
prism.publicationNameJ Phys Chem B
dc.identifier.doi10.17863/CAM.82314
dcterms.dateAccepted2022-03-03
rioxxterms.versionofrecord10.1021/acs.jpcb.2c00101
rioxxterms.versionAM
dc.contributor.orcidHunter, Christopher [0000-0002-5182-1859]
dc.identifier.eissn1520-5207
rioxxterms.typeJournal Article/Review
pubs.funder-project-idEngineering and Physical Sciences Research Council (1800667)
cam.issuedOnline2022-03-15
cam.orpheus.successTue Apr 12 08:22:44 BST 2022 - Embargo updated*
cam.orpheus.counter2
cam.depositDate2022-03-10
pubs.licence-identifierapollo-deposit-licence-2-1
pubs.licence-display-nameApollo Repository Deposit Licence Agreement
rioxxterms.freetoread.startdate2023-03-15


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record