Structural characteristics and transport behavior of triptycene-based PIMs membranes: A combination study using ab initio calculation and molecular simulations

Title
Structural characteristics and transport behavior of triptycene-based PIMs membranes: A combination study using ab initio calculation and molecular simulations
Authors
Keywords
Molecular dynamics, Monte Carlo, Triptycene-based, Gas separation, Polymers of intrinsic microporosity (PIMs)
Journal
JOURNAL OF MEMBRANE SCIENCE
Volume 514, Issue -, Pages 114-124
Publisher
Elsevier BV
Online
2016-04-30
DOI
10.1016/j.memsci.2016.04.063

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