Systematic Parameterization of Ion-Surfactant Interactions in Dissipative Particle Dynamics Using Setschenow Coefficients.
View / Open Files
Publication Date
2022-03-24Journal Title
J Phys Chem B
ISSN
1520-6106
Publisher
American Chemical Society (ACS)
Type
Article
This Version
AM
Metadata
Show full item recordCitation
Lavagnini, E., Cook, J. L., Warren, P. B., & Hunter, C. A. (2022). Systematic Parameterization of Ion-Surfactant Interactions in Dissipative Particle Dynamics Using Setschenow Coefficients.. J Phys Chem B https://doi.org/10.1021/acs.jpcb.2c00101
Abstract
Dissipative 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.
Sponsorship
Engineering and Physical Sciences Research Council for financial support
Funder references
Engineering and Physical Sciences Research Council (1800667)
Embargo Lift Date
2023-03-15
Identifiers
External DOI: https://doi.org/10.1021/acs.jpcb.2c00101
This record's URL: https://www.repository.cam.ac.uk/handle/1810/334877
Statistics
Total file downloads (since January 2020). For more information on metrics see the
IRUS guide.