The Electrostatic co-Assembly in non-Stoichiometric Aqueous Mixtures of Copolymers Composed of One Neutral Water-Soluble and One Polyelectrolyte (Either Positively or Negatively Charged) Block: A Dissipative Particle Dynamics Study.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F16%3A00463011" target="_blank" >RIV/67985858:_____/16:00463011 - isvavai.cz</a>

Alternative codes found

RIV/00216208:11310/16:10325318 RIV/44555601:13440/16:43887677

Result on the web

<a href="http://dx.doi.org/10.1039/c6cp01047d" target="_blank" >http://dx.doi.org/10.1039/c6cp01047d</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c6cp01047d" target="_blank" >10.1039/c6cp01047d</a>

Result language

angličtina

Original language name

The Electrostatic co-Assembly in non-Stoichiometric Aqueous Mixtures of Copolymers Composed of One Neutral Water-Soluble and One Polyelectrolyte (Either Positively or Negatively Charged) Block: A Dissipative Particle Dynamics Study.

Original language description

The electrostatic co-assembly in non-stoichiometric aqueous mixtures of diblock copolymers composed of a neutral water-soluble block and an either positively or negatively charged polyelectrolyte (PE) block has been studied by dissipative particle dynamics (DPD) simulations. The employed DPD variant includes explicit electrostatics and enables the investigation of the role of small ions in the co-assembly. The properties of core–shell associates containing insoluble interpolyelectrolyte complex cores and protective neutral shells were investigated as functions of the ratio of positive-to-negative charges in the system. This ratio was varied by increasing the number of positively charged PE chains of the same length as those of negatively charged chains, and by changing the PE length and charge density. The simulation results show that the associates formed in non-stoichiometric mixtures differ from those formed in stoichiometric mixtures: their association numbers are lower, their cores are charged and a fraction of excess chains remain free in the non-associated state. The study demonstrates the important role of the compatibility of the counterions with the polymer blocks. It simultaneously emphasizes the necessity of including the electrostatic interaction of all the charged species in the DPD computational scheme.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2016

Confidentiality

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

Name of the periodical

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

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Volume of the periodical

18

Issue of the periodical within the volume

24

Country of publishing house

GB - UNITED KINGDOM

Number of pages

15

Pages from-to

16137-16151

UT code for WoS article

000381056500010

EID of the result in the Scopus database

2-s2.0-84975159154