✦ LIBER ✦

Structural stability of poly(1-propyne) dimers and trimers

✍ Scribed by C. P. Tsonis; H. M. Badawi

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 442 KB
Volume: 34
Category: Article
ISSN: 0887-6266
DOI: 10.1002/(sici)1099-0488(19960415)34:5<853::aid-polb4>3.0.co;2-n

No coin nor oath required. For personal study only.

✦ Synopsis

The relative thermodynamic energies of the poly( 1-propyne) dimers and trimers show that both the conjugation and steric forces play an important role on the structural stability of these molecular systems. The two 1,4-disubstituted butenyne cis and trans dimers are predicted to be practically the same in energy, whereas the 2,4-disubstituted butenyne dimer is of relatively lower thermodynamic stability. The trimers, cis-trans (structure 4) and tram-trans (structure lo), are calculated to be relatively stable, and thus it is more likely that the polymer formation is based on these two trimers with the taiI-head-tail-head addition.

📜 SIMILAR VOLUMES

Synthesis, structure, and properties of

Synthesis, structure, and properties of poly[1-(trimethylgermyl)-1-propyne]

✍ Giseop Kwak; Toshio Masuda 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 115 KB 👁 1 views

Gas permeation properties of blend and c

Gas permeation properties of blend and copolymer membranes composed of 1-trimethylsilyl-1-propyne and 1-phenyl-1-propyne structures

✍ Kazukiyo Nagai; Miyuki Mori; Tetsuya Watanabe; Tsutomu Nakagawa 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 306 KB 👁 1 views

The poly(1-trimethylsilyl-1-propyne) (PMSP) has the potential to be an important membrane gas separation material due to the fact that it has the highest gas permeability of all polymeric membranes. One problem with PMSP is a decrease in the gas permeability with age. In order to understand the agin

Sorption, diffusion, and permeation of e

Sorption, diffusion, and permeation of ethylbenzene in poly(1-trimethylsilyl-1-propyne)

✍ S. V. Dixon-Garrett; K. Nagai; B. D. Freeman 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 201 KB 👁 2 views

The solubility, diffusivity, and permeability of ethylbenzene in poly(1trimethylsilyl-1-propyne) (PTMSP) at 35, 45 and 55 °C were determined using kinetic gravimetric sorption and pure gas permeation methods. Ethylbenzene solubility in PTMSP was well described by the generalized dual-mode model with

Sorption and transport of hydrocarbon an

Sorption and transport of hydrocarbon and perfluorocarbon gases in poly(1-trimethylsilyl-1-propyne)

✍ T. C. Merkel; V. Bondar; K. Nagai; B. D. Freeman 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 424 KB 👁 1 views

Pure gas solubility and permeability of H 2 , O 2 , N 2 , CO 2 , CH 4 , C 2 H 6 , C 3 H 8 , CF 4 , C 2 F 6 , and C 3 F 8 in poly(1-trimethylsilyl-1-propyne) (PTMSP) were determined as a function of pressure at 35°C. Permeability coefficients of the perfluorinated penetrants are approximately an orde

Comparison of gas diffusion in poly[1-(t

Comparison of gas diffusion in poly[1-(trimethylsilyl)-1-propyne] and poly(dimethylsiloxane) by atomistic modeling

✍ Jae Shick Yang; Kyoungsei Choi; Won Ho Jo 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 86 KB 👁 1 views

Molecular simulation of gas transport in

Molecular simulation of gas transport in poly[1-(trimethylsilyl)-1-propyne]

✍ 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