The lnlluence of the polygon charge densely on the osmollc behawor of hncar polyelectrolyies IS stu&ed by the Monte Carlo method and by the mticd Poisson-Boltzmann equation. The polpon IS assumed to be either a uniformly or dwxetely charged cyhnder placed along the axis of tbe cyhndncal cd conmmmg o
Monte Carlo study of polyelectrolyte gels
β Scribed by Daniel P. Aalberts
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 384 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0887-6266
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β¦ Synopsis
SYNOPSIS
The discontinuous transition between dense and dilute phases in polyelectrolyte gels is observed in Bond-Fluctuation Method Monte Carlo simulations of gels. The transition is driven by the competition between local attractive interactions of a poor-quality solvent and global repulsive interactions from counter-ion pressure. A procedure is introduced that prevents local attractive interactions from destroying ergodicity. Under good solvent conditions, lengths and volumes of gels are found to follow self-avoiding random walk scaling.
π SIMILAR VOLUMES
## Abstract We present results of offβlattice Monte Carlo simulations of weakly charged chains where the charged beads interact with a screened Coulomb potential of DebyeβHΓΌckel type. The behaviour of the mean square endβtoβend distance and meanβsquare radius of gyration versus chain length is disc
We report a calculation of the distribution of small ions around a charged cylinder representing a polyelectrolyte molecule in solution. The Monte Carlo method of Metropolis, Rosenbluth, and Teller was used to avoid the inaccuracies known to be associated with the Poisson-Boltzmann equation. The sys