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Interactions of cationic surfactant-fatty alcohol monolayers with natural human hair surface: Insights from dissipative particle dynamics

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F03%3A00568193" target="_blank" >RIV/67985858:_____/03:00568193 - isvavai.cz</a>

  • Alternative codes found

    RIV/44555601:13440/23:43897561

  • Result on the web

    <a href="https://hdl.handle.net/11104/0339523" target="_blank" >https://hdl.handle.net/11104/0339523</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.molliq.2023.121385" target="_blank" >10.1016/j.molliq.2023.121385</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Interactions of cationic surfactant-fatty alcohol monolayers with natural human hair surface: Insights from dissipative particle dynamics

  • Original language description

    Fatty alcohols (CnFAs) combined with cationic surfactants are common ingredients of lamellar-phase personal care liquids. We employ mesoscopic modelling to study how surfactant-CnFA monolayers originating from the corresponding bilayers of the personal care liquids interact with the human hair surface above and below the fluid-gel transition temperature as well as in- and out-of-equilibrium. For the monolayer model, we consider the single-tail cationic surfactant cetyltrimethylammonium chloride (CTAC) and an excess of CnFAs with their alkyl tail length equal to or longer than the CTAC alkyl tailnlength. The hair surface mimics keratin surface proteins covered by a film of lipid chains covalently bonded to the proteins. Our modelling shows the formation of a dense adsorbed layer due to the interactions of the CTAC and CnFA alkyl tails with the hydrophobic hair surface. The adsorption and the behaviour of the adsorbed layer is different under fluid and gel conditions. The differences are related to the structure of the adsorbed layer as characterised by density profiles across the adsorbed layer and the orientational order parameters of the chains within the adsorbed layer. Under steady-state shearing (an approximation of real, non-equilibrium conditions), increasing the shear rate above a threshold leads to continuous or abrupt desorption of the CTAC and CnFA chains under fluid or gel conditions, respectively, the desorbed chains can then form various self-assembled structures in the bulk solution. The underlying mechanism of CTAC and CnFA desorption from the adsorbed layers is closely related to the corresponding adsorption mechanism.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10403 - Physical chemistry

Result continuities

  • Project

    <a href="/en/project/EF17_048%2F0007411" target="_blank" >EF17_048/0007411: UniQSurf - Centre of biointerfaces and hybrid functional materials</a><br>

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2003

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Molecular Liquids

  • ISSN

    0167-7322

  • e-ISSN

    1873-3166

  • Volume of the periodical

    375

  • Issue of the periodical within the volume

    1 April

  • Country of publishing house

    NL - THE KINGDOM OF THE NETHERLANDS

  • Number of pages

    13

  • Pages from-to

    121385

  • UT code for WoS article

    001001495000001

  • EID of the result in the Scopus database

    2-s2.0-85147542995