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

Result code in 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>
Alternative codes found
RIV/67985858:_____/14:00433598 RIV/44555601:13440/14:43885921
Result on the web
<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>

Result language
angličtina
Original language name
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
Original language description
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
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CD - Macromolecular 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
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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