General relationships between the mobility of a chain fluid and various computed scalar metrics.
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.
Budzien
Joanne
J
New Mexico Institute of Mining and Technology, Socorro, New Mexico 87801, USA.
McCoy
John D
JD
Adolf
Douglas B
DB