About: An enhanced entangled polymer model for dissipative particle dynamics

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: An enhanced entangled polymer model for dissipative particle dynamics Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://home.icpf.cas.cz/lisal/www/dpd_entanglement.pdf
Description	We develop an alternative polymer model to capture entanglements within the dissipative particle dynamics (DPD) framework by using simplified bond-bond repulsive interactions to prevent bond crossings. We show that structural and thermodynamic properties can be improved by applying a segmental repulsive potential (SRP) that is a function of the distance between the midpoints of the segments, rather than the minimum distance between segments. The alternative approach, termed the modified segmental repulsive potential (mSRP), is shown to produce chain structures and thermodynamic properties that are similar to the softly repulsive, flexible chains of standard DPD. Parameters for the mSRP are determined from topological, structural, and thermodynamic considerations. The effectiveness of the mSRP in capturing entanglements is demonstrated by calculating the diffusion and mechanical properties of an entangled polymer melt. We develop an alternative polymer model to capture entanglements within the dissipative particle dynamics (DPD) framework by using simplified bond-bond repulsive interactions to prevent bond crossings. We show that structural and thermodynamic properties can be improved by applying a segmental repulsive potential (SRP) that is a function of the distance between the midpoints of the segments, rather than the minimum distance between segments. The alternative approach, termed the modified segmental repulsive potential (mSRP), is shown to produce chain structures and thermodynamic properties that are similar to the softly repulsive, flexible chains of standard DPD. Parameters for the mSRP are determined from topological, structural, and thermodynamic considerations. The effectiveness of the mSRP in capturing entanglements is demonstrated by calculating the diffusion and mechanical properties of an entangled polymer melt. (en)
Title	An enhanced entangled polymer model for dissipative particle dynamics An enhanced entangled polymer model for dissipative particle dynamics (en)
skos:prefLabel	An enhanced entangled polymer model for dissipative particle dynamics An enhanced entangled polymer model for dissipative particle dynamics (en)
skos:notation	RIV/44555601:13440/12:43883899!RIV13-MSM-13440___
http://linked.open...avai/predkladatel	Přírodovědecká fakulta
http://linked.open...avai/riv/aktivita	I P Z
http://linked.open...avai/riv/aktivity	I, P(LH12020), Z(AV0Z40720504)
http://linked.open...iv/cisloPeriodika	13
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Lísal, Martin
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Jana Evangelisty Purkyně v Ústí nad Labem / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	121947
http://linked.open...ai/riv/idVysledku	RIV/44555601:13440/12:43883899
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Disspative Particle Dynamics, Polymer Models (en)
http://linked.open.../riv/klicoveSlovo	Disspative Particle Dynamics Polymer Models
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[DD6397D7A13F]
http://linked.open...i/riv/nazevZdroje	Journal of Chemical Physics
http://linked.open...in/vavai/riv/obor	BJ
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Mesoscopic Modeling of Protein-Surface Interactions
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	136
http://linked.open...iv/tvurceVysledku	Lísal, Martin Brennan, J. K. Andzelm, J. W. Sirk, T. W. Slizoberg, Y. R.
http://linked.open...ain/vavai/riv/wos	000302596500055
http://linked.open...n/vavai/riv/zamer	Investigation of multiphase reacting systems for the design of processes important in synthesis and preparation of novel materials, in energy production and in environmental protection
issn	0021-9606
number of pages	11 (xsd:int)
http://bibframe.org/vocab/doi	10.1063/1.3698476
http://localhost/t...ganizacniJednotka	13440
is http://linked.open...avai/riv/vysledek of	An enhanced entangled polymer model for dissipative particle dynamics

Faceted Search & Find service v1.16.116 as of Feb 22 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3239 as of Feb 22 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 80 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software