Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

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

Journal Article · · Proposed for publication in the Journal of Chemical Physics.
OSTI ID:952845
 [1]; ;  [1]
  1. New Mexico Institute of Mining and Technology, Socorro, NM

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.

Research Organization:
Sandia National Laboratories
Sponsoring Organization:
USDOE
DOE Contract Number:
AC04-94AL85000
OSTI ID:
952845
Report Number(s):
SAND2004-2736J
Journal Information:
Proposed for publication in the Journal of Chemical Physics., Journal Name: Proposed for publication in the Journal of Chemical Physics.
Country of Publication:
United States
Language:
English

Similar Records

The relationship between polymer mobility and potential energy.
Conference · Fri Dec 31 23:00:00 EST 2004 · OSTI ID:947334

Dynamics of relaxation at strongly interacting polymer--solid interfaces: Effects of chain architecture
Journal Article · Sun Feb 28 23:00:00 EST 1993 · Journal of Chemical Physics; (United States) · OSTI ID:7073789

Dynamics of simple hierarchical systems
Journal Article · Tue Mar 31 23:00:00 EST 1987 · J. Stat. Phys.; (United States) · OSTI ID:6195902