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Some aspects of theory and simulations of polymers in steady flows

✍ Scribed by Wilfried Carl

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
964 KB
Volume
5
Category
Article
ISSN
1022-1344

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✦ Synopsis

We present a study of various properties of bead spring chains in steady flows. The Langevin equation of the normal modes of the chain is solved by Fourier transformation. From the resulting power spectrum, the autocorrelation functions of all configurationdependent quantities can be calculated. In equilibrium, the influence of the bead masses on the short-time dynamics is discussed. The influence of different flow fields (shear, elongational and Kramers potential flow) on the mean-square chain dimension is calculated. A comparison with results obtained from non-equilibrium molecular dynamics and Monte Carlo calculations is made. Finally, the influence of shear flow on the configurational and rheological properties of cyclic polymers and on the excluded volume behaviour of linear chains is examined.

M ( t ) = Ae-ar

(23)

πŸ“œ SIMILAR VOLUMES

Monte carlo simulation of polymers in st
Monte carlo simulation of polymers in steady potential flows
✍ Wilfried Carl; Juan J. De Pablo πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 352 KB

## Abstract This work presents a study of the configurational properties of bead‐spring chains in steady‐state potential flows. These properties are obtained from off‐lattice Monte Carlo simulations. The results of our simulations compare favourably with theoretical results for phantom chains. We i

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## Abstract A macroscopic viscoelastic model for incompressible, isothermal, homogeneous lyotropic mesophases exhibiting the nematic polydomain texture is presented. Under equilibrium static conditions the model describes a three dimensional tessellation, where each region or nematic domain has a c