## Abstract Conformational energies as function of rotational angles over two consecutive skeletal bonds for both __meso__ and __racemic__ diads of poly(__N__vinyl‐2‐pyrrolidone) have been computed. The results of these calculations were used to formulate a statistical model that was then employed
Estimation of the conformational characteristics of polyurethane chains
✍ Scribed by Věra Kašpárková; Lubomír Šimek; Miloslav Bohdanecký
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 710 KB
- Volume
- 197
- Category
- Article
- ISSN
- 1022-1352
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✦ Synopsis
Abstract
Linear polyurethanes (PUR‐D~k~) were prepared by reacting 4,4′‐methylenediphenyl diisocyanate (MDI) with low‐molecular‐weight diols HO(CH~2~)~k~OH (k = 2, 3, 4, and 6) and fractionated by precipitation or extraction with mixtures of N,N‐dimethylformamide (DMF) and dibutyl ether (DBE). The fractions were characterized by their weight‐average molecular weights M~w~ (light scattering) and intrinsic viscosities [η] in DMF (good solvent) and mixtures of DMF with DBE (poor solvents). The Kuhn statistical segment length l~K~ was evaluated from the intrinsic viscosities in poor solvents. Low values of l~K~, (12 to 14) × 10^−8^ cm, indicate that benzene rings and virtual double bonds (urethane groups) confine neighbour interactions to bonds within the repeating units and assure independent rotations at the bonds adjoining them.
📜 SIMILAR VOLUMES
## Abstract Conformational energies, computed with a forcefield including coulombic interactions and a simple accounting for the effects of solvent, of __meso__ and __racemic__ 2,4‐diphenylpentane as model substances of polystyrene have been computed as functions of the skeletal torsion angles and
The average contribution of conformational entropy for individual amino acid residues towards the free energy of protein folding is not well understood. We have developed empirical scales for the loss of the main-chain (torsion angles, and ) conformational entropy by taking its side-chain into accou
Polyacrylonitrile (PAN) films were subjected to swelling in aqueous I2/KI solutions. The influence of some factors on the relation of equilibrium swelling degree vs the iodine concentration in water was found. In the first stage of swelling, a possibility of conformational changes of PAN chains was