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Gas Diffusion and Solubility in Poly(organophosphazenes): Results of Molecular Simulation Studies

✍ Scribed by Joel R. Fried

Book ID
106416788
Publisher
Springer
Year
2006
Tongue
English
Weight
629 KB
Volume
16
Category
Article
ISSN
1053-0495

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πŸ“œ SIMILAR VOLUMES

Molecular simulation of gas transport in
Molecular simulation of gas transport in poly[1-(trimethylsilyl)-1-propyne]
✍ J. R. Fried; D. K. Goyal πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 401 KB πŸ‘ 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