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Titolo:
Comparison of the diffusion coefficients of linear and cyclic alkanes
Autore:
Ozisik, R; von Meerwall, ED; Mattice, WL;
Indirizzi:
Univ Akron, Maurice Morton Inst Polymer Sci, Akron, OH 44325 USA Univ Akron Akron OH USA 44325 orton Inst Polymer Sci, Akron, OH 44325 USA Univ Akron, Dept Phys, Akron, OH 44325 USA Univ Akron Akron OH USA 44325Univ Akron, Dept Phys, Akron, OH 44325 USA
Titolo Testata:
POLYMER
fascicolo: 2, volume: 43, anno: 2002,
pagine: 629 - 635
SICI:
0032-3861(200201)43:2<629:COTDCO>2.0.ZU;2-V
Fonte:
ISI
Lingua:
ENG
Soggetto:
POLY(DIMETHYL SILOXANES); RING POLYMERS; COMPUTER-SIMULATION; DYNAMICS; POLYETHYLENE; BEHAVIOR; LATTICE; CHAINS;
Keywords:
Monte Carlo; diffusion; alkane;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
29
Recensione:
Indirizzi per estratti:
Indirizzo: Ozisik, R Swiss Fed Inst Technol, Inst Polymers, ETH Zentrum, CNB E98-2,Univ Str 6, CH-8092 Zurich, Switzerland Swiss Fed Inst Technol CNB E98-2,UnivStr 6 Zurich Switzerland CH-8092
Citazione:
R. Ozisik et al., "Comparison of the diffusion coefficients of linear and cyclic alkanes", POLYMER, 43(2), 2002, pp. 629-635

Abstract

Monte Carlo simulations of linear and cyclic alkanes were performed on a coarse-grained high coordination lattice. The simulations were performed at 473 K for CNH2N+2 and CNH2N where N had the values of 60, 100, and 316. Theresults indicated: (i) at low molecular weights, cyclic alkanes have lowerdiffusion coefficients than linear alkanes, and (ii) at high molecular weights, they have higher diffusion coefficients than linear alkanes. The lower diffusion coefficient of the small cyclic alkanes was attributed to the high local density within the volume defined by the smaller mean square radius of gyration of the cyclic alkanes. The high local density of cyclic alkane segments resulted in a decrease in the mobility of the beads. The crossover in diffusion coefficients was observed around the entanglement molecular weight of linear alkanes, which suggests that the linear alkanes are moresusceptible to the effects of entanglements than are the cyclic alkanes. (C) 2001 Elsevier Science Ltd. All rights reserved.

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Documento generato il 30/03/20 alle ore 20:02:47