Dissipative Particle Dynamics Simulations of Polyelectrolyte Self-Assemblies. Methods with Explicit Electrostatics.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F17%3A00477710" target="_blank" >RIV/67985858:_____/17:00477710 - isvavai.cz</a>

Alternative codes found

RIV/00216208:11310/17:10368192 RIV/44555601:13440/17:43893515

Result on the web

<a href="http://dx.doi.org/10.1134/S1811238217010052" target="_blank" >http://dx.doi.org/10.1134/S1811238217010052</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1134/S1811238217010052" target="_blank" >10.1134/S1811238217010052</a>

Result language

angličtina

Original language name

Dissipative Particle Dynamics Simulations of Polyelectrolyte Self-Assemblies. Methods with Explicit Electrostatics.

Original language description

This feature article is addressed to a broad community of polymer scientists, both theoreticians and experimentalists. We present several examples of our dissipative particle dynamics (DPD) simulations of selfand co-assembling polyelectrolyte systems to illustrate the power of DPD. In the first part, we briefly outline basic principles of DPD. Special emphasis is placed on the incorporation of explicit electrostatic forces into DPD, on their calibration with respect to the soft repulsion forces and on the use of DPD for studying the self-assembly of electrically charged polymer systems. At present, the method with explicit electrostatics is being used in a number of studies of the behavior of single polyelectrolyte chains, their interaction with other components of the system, etc. However, in DPD studies of self-assembly, which require high numbers of chains, only a few research groups use explicit electrostatics. Most studies of polyelectrolyte self-assembly are based on the mplicit solvent ionic strength approach, which completely ignores the long-range character of electrostatic interactions, because their evaluation complicates and considerably slows down the DPD simulation runs. We aim at the analysis of the impact of explicit electrostatics on simulation results.

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10403 - Physical chemistry

Project

<a href="/en/project/GA16-12291S" target="_blank" >GA16-12291S: Hierarchical approach to the study of solid-fluid equilibria in complex system: theory, simulation and experiment</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2017

Confidentiality

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

Name of the periodical

Polymer Science Series C

ISSN

1811-2382

e-ISSN

—

Volume of the periodical

59

Issue of the periodical within the volume

1

Country of publishing house

US - UNITED STATES

Number of pages

25

Pages from-to

77-101

UT code for WoS article

000408116600009

EID of the result in the Scopus database

2-s2.0-85027998956