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

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/44555601:13440/23:43897561

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/EF17_048%2F0007411" target="_blank" >EF17_048/0007411: UniQSurf - Centrum biopovrchů a hybridních funkčních materiálů</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2003

Kód důvěrnosti údajů

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

Název periodika

Journal of Molecular Liquids

ISSN

0167-7322

e-ISSN

1873-3166

Svazek periodika

375

Číslo periodika v rámci svazku

1 April

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

13

Strana od-do

121385

Kód UT WoS článku

001001495000001

EID výsledku v databázi Scopus

2-s2.0-85147542995