General relationships between the mobility of a chain fluid and various computed scalar metrics

被引：28

作者：

Budzien, J ^{[1
]}

McCoy, JD

Adolf, DB

机构：

[1] New Mexico Inst Min & Technol, Socorro, NM 87801 USA

[2] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2004年 / 121卷 / 20期

关键词：

D O I：

10.1063/1.1808694

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We performed molecular dynamics simulations of chain systems to investigate general relationships between the system mobility and computed scalar quantities. Three quantities were found that had a simple one-to-one relationship with mobility: packing fraction, potential energy density, and the value of the static structure factor at the first peak. The chain center-of-mass mobility as a function of these three quantities could be described equally well by either a Vogel-Fulcher type or a power law equation. (C) 2004 American Institute of Physics.

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页码：10291 / 10298

页数：8

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