Articles producció científica> Enginyeria Química

Low critical micelle concentration discrepancy between theory and experiment

  • Identification data

    Identifier: PC:834
    Authors:
    Mackie, A.D.García Daza, F.A.
    Abstract:
    10.1021/jz500790b
  • Others:

    Author, as appears in the article.: Mackie, A.D. García Daza, F.A.
    Department: Enginyeria Química
    Keywords: critical micelle concentration kinetic effects coarse−grained gemini surfactants
    Abstract: Experimental measurements for a variety of surfactants unexpectedly show that the critical micelle concentration (CMC) becomes constant with respect to increasing the size of the hydrophobic tail. This observation disagrees with theoretical models where it is expected to continue to decrease exponentially. Because of the lack of a satisfactory explanation for such a discrepancy from theory, we have studied these systems using a coarse-grained model within the single-chain mean field (SCMF) theory combined with relevant micellar kinetic effects. In particular, a microscopic model for poly(ethylene oxide) alkyl ether was applied to describe a series of nonionic gemini surfactants. When kinetic effects are used to correct the equilibrium CMC values from the SCMF scheme together with the loss of surfactants due to adsorption on the experimental recipient, it is possible to reproduce the correct order of magnitude of the experimental CMC results. Hence it appears that the experimental values disagree with the theoretical predictions because they are not true equilibrium values due to the fact that the time scales for these low CMC values become astronomically large.
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    ISSN: 0022-3654
    Last page: 2032
    Journal volume: 5
    Papper version: info:eu-repo/semantics/acceptedVersion
    Link to the original source: http://pubs.acs.org/doi/abs/10.1021/jz500790b
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Article's DOI: 10.1021/jz500790b
    Entity: Universitat Rovira i Virgili.
    Journal publication year: 2014
    First page: 2027
  • Keywords:

    critical micelle concentration kinetic effects coarse−grained simulation micelle gemini surfactants
    critical micelle concentration
    kinetic effects
    coarse−grained
    gemini surfactants
    0022-3654
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