Paper Citing NAMD - Abstract
Gorny, K.; Dendzik, Z.; Pabiszczak, M.; Gburski, Z.
Non-Debye dipolar relaxation of ethylene glycol embedded in ZSM-5 zeolite host matrix - Computer simulation study
JOURNAL OF NON-CRYSTALLINE SOLIDS, 364:28-33, MAR 15 2013
We performed fully atomistic molecular dynamics simulations of ethylene glycol confined inside a ZSM-5 zeolite in order to study the effect of the spatial confinement and interaction between the embedded molecules and internal surface of the host channels on the dynamics of the system. We found the change in thermal activation characteristic as well as considerable deviation of the dynamics in this system from almost purely exponential relaxation observed in the bulk ethylene glycol liquid. (C) 2013 Elsevier B.V. All rights reserved.
