Self-diffusion in polymer solutions using the bond-fluctuation MC-algorithm

• Verfasst von: Paul, Wolfgang [VerfasserIn]
• Verfasst von: Heermann, Dieter W. [VerfasserIn]
• Verfasst von: Kremer, Kurt [VerfasserIn]
• Titel: Self-diffusion in polymer solutions using the bond-fluctuation MC-algorithm
• Verf.angabe: W. Paul, K. Binder, D.W. Heermann, K. Kremer
• Umfang: 4 S.
• Fussnoten: Gesehen am 22.08.2017
• Titel Quelle: Enthalten in: Journal of non-crystalline solids
• Jahr Quelle: 1991
• Band/Heft Quelle: 131(1991), S. 650-653
• ISSN Quelle: 0022-3093
• DOI: doi:10.1016/0022-3093(91)90663-Q
• Datenträger: Online-Ressource
• Sprache: eng
• K10plus-PPN: 1562640291

Abstract

A lattice Monte Carlo study of the self-diffusion of polymer chains in an athermal solution of equal chains is presented. The examined chain lengths, N (= 20-200), and volume fractions, φ (= 0.025-0.5), cover the range from dilute solution to concentrated solution, respectively. The dynamics show a gradual crossover from Rouse to reptation-like behaviour. Analysing the data according to a scaling theory and taking into account the density dependence of the microscopic length and time-scales, an almost perfect scaling of the self-diffusion coefficient is achieved. The high statistical accuracy of the data (103-104 chains per parameter combination) was obtainable by using a transputer-based parallel computer.