Self-Assembly of Symmetric Copolymers in Slits with Inert and Attractive Walls

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F23%3A00581418" target="_blank" >RIV/67985858:_____/23:00581418 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11310/23:10472518

Výsledek na webu

<a href="https://www.mdpi.com/2073-4360/15/22/4458" target="_blank" >https://www.mdpi.com/2073-4360/15/22/4458</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/polym15224458" target="_blank" >10.3390/polym15224458</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Self-Assembly of Symmetric Copolymers in Slits with Inert and Attractive Walls

Popis výsledku v původním jazyce

Although the behavior of the confined semi-dilute solutions of self-assembling copolymers represents an important topic of basic and applied research, it has eluded the interest of scientists. Extensive series of dissipative particle dynamics simulations have been performed on semi-dilute solutions of A5B5 chains in a selective solvent for A in slits using a DL-MESO simulation package. Simulations of corresponding bulk systems were performed for comparison. This study shows that the associates in the semi-dilute bulk solutions are partly structurally organized. Mild steric constraints in slits with non-attractive walls hardly affect the size of the associates, but they promote their structural arrangement in layers parallel to the slit walls. Attractive walls noticeably affect the association process. In slits with mildly attractive walls, the adsorption competes with the association process. At elevated concentrations, the associates start to form in wide slits when the walls are sparsely covered by separated associates, and the association process prevents the full coverage of the surface. In slits with strongly attractive walls, adsorption is the dominant behavior. The associates form in wide slits at elevated concentrations only after the walls are completely and continuously covered by the adsorbed chains.

Název v anglickém jazyce

Self-Assembly of Symmetric Copolymers in Slits with Inert and Attractive Walls

Popis výsledku anglicky

Although the behavior of the confined semi-dilute solutions of self-assembling copolymers represents an important topic of basic and applied research, it has eluded the interest of scientists. Extensive series of dissipative particle dynamics simulations have been performed on semi-dilute solutions of A5B5 chains in a selective solvent for A in slits using a DL-MESO simulation package. Simulations of corresponding bulk systems were performed for comparison. This study shows that the associates in the semi-dilute bulk solutions are partly structurally organized. Mild steric constraints in slits with non-attractive walls hardly affect the size of the associates, but they promote their structural arrangement in layers parallel to the slit walls. Attractive walls noticeably affect the association process. In slits with mildly attractive walls, the adsorption competes with the association process. At elevated concentrations, the associates start to form in wide slits when the walls are sparsely covered by separated associates, and the association process prevents the full coverage of the surface. In slits with strongly attractive walls, adsorption is the dominant behavior. The associates form in wide slits at elevated concentrations only after the walls are completely and continuously covered by the adsorbed chains.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA20-01233S" target="_blank" >GA20-01233S: Racionální design pokročilých měkkých funkčních materiálů řízený pokročilou NMR spektroskopií pevného stavu a vysoce výkonnou elektronovou mikroskopií</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

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

Název periodika

Polymers

ISSN

2073-4360

e-ISSN

2073-4360

Svazek periodika

15

Číslo periodika v rámci svazku

22

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

19

Strana od-do

4458

Kód UT WoS článku

001114010400001

EID výsledku v databázi Scopus

2-s2.0-85178149223