Dissipative Particle Dynamics Study of Electrostatic Self-Assembly in Aqueous Mixtures of Copolymers Containing One Neutral Water- Soluble Block and One Either Positively or Negatively Charged Polyelectrolyte Block

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F14%3A10272163" target="_blank" >RIV/00216208:11310/14:10272163 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/67985858:_____/14:00433598 RIV/44555601:13440/14:43885921

Výsledek na webu

<a href="http://pubs.acs.org/doi/pdf/10.1021/ma501018x" target="_blank" >http://pubs.acs.org/doi/pdf/10.1021/ma501018x</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/ma501018x" target="_blank" >10.1021/ma501018x</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Dissipative Particle Dynamics Study of Electrostatic Self-Assembly in Aqueous Mixtures of Copolymers Containing One Neutral Water- Soluble Block and One Either Positively or Negatively Charged Polyelectrolyte Block

Popis výsledku v původním jazyce

The paper describes the general features and trends of the electrostatic assembly (EA) of block polyelectrolytes. We performed computer simulations of the associative behavior of aqueous mixtures of diblock copolymers containing one neutral water-solubleblock and one either positively or negatively charged polyelectolyte (PE) block. While the neutral block is readily soluble in water, the hydrophilic vs hydrophobic nature of the neutral backbone of the PE block and the compatibility of the blocks varyin a broad range. We investigated the role of (i) electrostatics, (ii) solvophobicity of the PE block, (iii) compatibility of the polymer blocks, and also (iv) compatibility of small ions with the polymer blocks. We employed the dissipative particle dynamics (DPD) method and used the generally recognized formula (J. Chem. Phys. 1997, 107, 4423) for recalculating the Flory-Huggins interaction parameters in DPD parameters of soft coarse-grained repulsion forces. The Coulomb interactions ar

Název v anglickém jazyce

Dissipative Particle Dynamics Study of Electrostatic Self-Assembly in Aqueous Mixtures of Copolymers Containing One Neutral Water- Soluble Block and One Either Positively or Negatively Charged Polyelectrolyte Block

Popis výsledku anglicky

The paper describes the general features and trends of the electrostatic assembly (EA) of block polyelectrolytes. We performed computer simulations of the associative behavior of aqueous mixtures of diblock copolymers containing one neutral water-solubleblock and one either positively or negatively charged polyelectolyte (PE) block. While the neutral block is readily soluble in water, the hydrophilic vs hydrophobic nature of the neutral backbone of the PE block and the compatibility of the blocks varyin a broad range. We investigated the role of (i) electrostatics, (ii) solvophobicity of the PE block, (iii) compatibility of the polymer blocks, and also (iv) compatibility of small ions with the polymer blocks. We employed the dissipative particle dynamics (DPD) method and used the generally recognized formula (J. Chem. Phys. 1997, 107, 4423) for recalculating the Flory-Huggins interaction parameters in DPD parameters of soft coarse-grained repulsion forces. The Coulomb interactions ar

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CD - Makromolekulární chemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

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

Název periodika

Macromolecules

ISSN

0024-9297

e-ISSN

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Svazek periodika

47

Číslo periodika v rámci svazku

17

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

14

Strana od-do

6121-6134

Kód UT WoS článku

000341542900027

EID výsledku v databázi Scopus

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