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Titolo:
Short length-scale dynamics of polyisobutylene by molecular dynamics simulations
Autore:
Karatasos, K; Saija, F; Ryckaert, JP;
Indirizzi:
Free Univ Brussels, Dept Phys, B-1050 Brussels, Belgium Free Univ Brussels Brussels Belgium B-1050 hys, B-1050 Brussels, Belgium
Titolo Testata:
PHYSICA B
fascicolo: 1-2, volume: 301, anno: 2001,
pagine: 119 - 125
SICI:
0921-4526(200107)301:1-2<119:SLDOPB>2.0.ZU;2-6
Fonte:
ISI
Lingua:
ENG
Soggetto:
ELASTIC NEUTRON-SCATTERING; LOCAL DYNAMICS; CONFORMATIONAL STATISTICS; SEGMENTAL MOTION; GLASS-TRANSITION; BULK POLYMERS; SPIN-ECHO; TEMPERATURE; DIFFUSION; CHAIN;
Keywords:
polyisobutylene; molecular dynamics; neutron scattering; NMR;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
29
Recensione:
Indirizzi per estratti:
Indirizzo: Karatasos, K Free Univ Brussels, Dept Phys, Polymer Phys CP-223,Bd Triomphe, B-1050 Brussels, Belgium Free Univ Brussels Polymer Phys CP-223,Bd Triomphe Brussels Belgium B-1050
Citazione:
K. Karatasos et al., "Short length-scale dynamics of polyisobutylene by molecular dynamics simulations", PHYSICA B, 301(1-2), 2001, pp. 119-125

Abstract

In this work we have performed fully atomistic MD simulations of bulk polyisobutylene (PIB), in order to extract detailed information on the relaxational mechanisms from short length-scale motions. Investigation of dynamics in terms of local reorientational correlation functions, dynamic structure factor, and calculation of relevant conformational jump rates, enable a direct comparison between observables of different experimental techniques such as NMR and neutron scattering. Moreover, the use of a full-atom model allows for a comparison between main-chain and side-group (methyl) dynamics. (C) 2001 Published by Elsevier Science B.V.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 10/07/20 alle ore 12:35:43