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

J Budzien and JD McCoy and DB Adolf, JOURNAL OF CHEMICAL PHYSICS, 121, 10291-10298 (2004).

DOI: 10.1063/1.1808694

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.

Return to Publications page