Using dissipative particle dynamics to model polymeric systems
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F25%3A10508837" target="_blank" >RIV/00216208:11310/25:10508837 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/B978-0-44-327314-8.00022-1" target="_blank" >https://doi.org/10.1016/B978-0-44-327314-8.00022-1</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/B978-0-44-327314-8.00022-1" target="_blank" >10.1016/B978-0-44-327314-8.00022-1</a>
Alternative languages
Result language
angličtina
Original language name
Using dissipative particle dynamics to model polymeric systems
Original language description
Dissipative Particle Dynamics (DPD) is a powerful mesoscopic modeling tool in polymer science due to its ability to simulate large assemblies of macromolecules over extended timescales, capturing essential physical interactions such as thermal and hydrodynamic effects. Its versatility in handling complex, multicomponent systems makes it indispensable for advancing both theoretical understanding and practical applications of polymer-based materials. DPD bridges the gap between molecular dynamics, which examines interactions at the atomic level, and macroscopic continuum methods, which describe the bulk properties of polymeric systems. DPD relies on coarse-graining, grouping atoms or molecules into larger soft beads and attenuating unimportant details and chemical effects, while preserving system interactions at the mesoscopic level. This review comprehensively covers the use of DPD in modeling polymeric systems, along with its underlying principles and parametrization. We begin with polymer solutions and melts but primarily focus on polymer self-assembly and polyelectrolyte co-assembly. We conclude with a discussion on polymers under confinement and at solid surfaces. Since coarse-graining is an inherent feature of modern polymer theories, and DPD polymer models are analogous to those used in polymer physics, we also outline the correspondence between the outcomes of polymer theories and DPD modeling.
Czech name
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Czech description
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Classification
Type
C - Chapter in a specialist book
CEP classification
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OECD FORD branch
10404 - Polymer science
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Book/collection name
Computational Methods for the Multiscale Modeling of Soft Matter
ISBN
978-0-443-27314-8
Number of pages of the result
33
Pages from-to
3-35
Number of pages of the book
482
Publisher name
Academic Press (Elsevier)
Place of publication
Amsterdam
UT code for WoS chapter
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