Interplay between surfactant self-assembly and adsorption at hydrophobic surfaces: insights from dissipative particle dynamics.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F21%3A00545827" target="_blank" >RIV/67985858:_____/21:00545827 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/44555601:13440/21:43896485

Výsledek na webu

<a href="http://hdl.handle.net/11104/0322472" target="_blank" >http://hdl.handle.net/11104/0322472</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1080/00268976.2020.1857863" target="_blank" >10.1080/00268976.2020.1857863</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Interplay between surfactant self-assembly and adsorption at hydrophobic surfaces: insights from dissipative particle dynamics.

Popis výsledku v původním jazyce

We study the self-organisation of aqueous surfactants in bulk phase, and the adsorption and selforganisation of the aqueous surfactants at a planar hydrophobic surface by dissipative particle dynamics. Nonionic surfactants, n-alkyl poly(ethylene oxide) CnEm, and water are coarse-grained into mesoscopic beads comprising 1–3 heavy atoms and two water molecules, respectively. The size of the mesoscopic beads is related to the molar volume of the underlying molecular fragments while the bead–bead interaction parameters are calibrated against the water-octanol partition coefficients.nWefocus on theC6E3, C6E4, C8E3, andC8E4 surfactants in water that form spherical micelles in the bulk. The bulk micellization is primarily affected by the alkyl tail length which is demonstrated by an order of magnitude decrease in the critical micelle concentration when going from the aqueous C6Em to aqueous C8Em solutions. Surfactants strongly adsorb on the hydrophobic surface, adopting lying-down configurations and forming hemispheres which are in equilibrium with the spherical micelles in the bulk. In contrast to the bulk phase, the surfactant adsorption behaviour is influenced by both the alkyl tail and head chain lengths.

Název v anglickém jazyce

Interplay between surfactant self-assembly and adsorption at hydrophobic surfaces: insights from dissipative particle dynamics.

Popis výsledku anglicky

We study the self-organisation of aqueous surfactants in bulk phase, and the adsorption and selforganisation of the aqueous surfactants at a planar hydrophobic surface by dissipative particle dynamics. Nonionic surfactants, n-alkyl poly(ethylene oxide) CnEm, and water are coarse-grained into mesoscopic beads comprising 1–3 heavy atoms and two water molecules, respectively. The size of the mesoscopic beads is related to the molar volume of the underlying molecular fragments while the bead–bead interaction parameters are calibrated against the water-octanol partition coefficients.nWefocus on theC6E3, C6E4, C8E3, andC8E4 surfactants in water that form spherical micelles in the bulk. The bulk micellization is primarily affected by the alkyl tail length which is demonstrated by an order of magnitude decrease in the critical micelle concentration when going from the aqueous C6Em to aqueous C8Em solutions. Surfactants strongly adsorb on the hydrophobic surface, adopting lying-down configurations and forming hemispheres which are in equilibrium with the spherical micelles in the bulk. In contrast to the bulk phase, the surfactant adsorption behaviour is influenced by both the alkyl tail and head chain lengths.

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

2021

Kód důvěrnosti údajů

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

Název periodika

Molecular Physics

ISSN

0026-8976

e-ISSN

1362-3028

Svazek periodika

119

Číslo periodika v rámci svazku

15-16

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

14

Strana od-do

e1857863

Kód UT WoS článku

000597704100001

EID výsledku v databázi Scopus

2-s2.0-85106819942