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Enhanced gas transport properties and molecular mobilities in nano-constrained poly[1-(trimethylsilyl)-1-propyne] membranes

✍ Scribed by Lakshmi S. Kocherlakota; Daniel B. Knorr Jr.; Laura Foster; René M. Overney


Book ID
113857720
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
726 KB
Volume
53
Category
Article
ISSN
0032-3861

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✍ J. R. Fried; D. K. Goyal 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 401 KB 👁 2 views

The bonded constants in the DREIDING force field have been parameterized for poly[1-(trimethylsilyl)-1-propyne] (PTMSP) from AM1 calculations of the dimer. The resultant force field has been validated through the simulation of amorphous cell density and x-ray data (d-spacing) and used to obtain diff

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Poly(1-trimethylsilyl-1-propyne) (PTMSP), a high free-volume glassy disubstituted polyacetylene, has the highest gas permeabilities of all known polymers. The high gas permeabilities in PTMSP result from its very high excess free volume and connectivity of free volume elements. Permeability coeffici