Paper Citing NAMD - Abstract
Gorny, K.; Dendzik, Z.; Raczynski, P.; Gburski, Z.
Dynamic properties of propylene glycol confined in ZSM-5 zeolite matrix-A computer simulation study
SOLID STATE COMMUNICATIONS, 152:8-12, JAN 2012
We performed all atom computer simulations of molecular dynamics of propylene glycol confined in ZSM-5 zeolite host matrix in order to study the characteristic of dipolar relaxation process in this system and compare it with recently published results for similar molecular systems confined in single walled carbon nanotubes. We focused on the influence of the geometric confinement inside ZSM-5 10 channels and interaction with the host system on the observed change in the character of deviation from exponential relaxation, as well as on thermal activation characteristic of the process. (C) 2011 Elsevier Ltd. All rights reserved.
