Persistence lengths of aromatic polyamides: a computer simulation approach
β Scribed by Chaobin He; Alan H. Windle
- Publisher
- John Wiley and Sons
- Year
- 1995
- Tongue
- English
- Weight
- 753 KB
- Volume
- 4
- Category
- Article
- ISSN
- 1022-1344
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β¦ Synopsis
Abstract
A range of polyamides has been modelled using Monte Carlo routines based on carefully determined bondβrotation potentials, bond length and bond angle. For each polymer type, a large number of chains has been built for different simulated temperatures, and the persistence lengths determined as an average over all models for a given set of conditions. The simulations predict mesogenicity of aromatic polyamides to be smaller than that of equivalent aromatic polyesters, while the experimental values of persistence length obtained from polyamides in solution are large on account of the strong bonding between polymer and solvent.
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The development of a computer program designed to simulate the performance of the mass filter in an ideal quadrupole mass spectrometer (QMS) is described. The simulation program provides flexible input parameters to allow the user to investigate the ion trajectories and transmission efficiency for d