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CHARGE DISTRIBUTION AND CONFORMATIONS OF WEAK POLYELECTROLYTE CHAINS IN POOR SOLVENTS
- Article from:
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Collection of Czechoslovak Chemical Communications
- Article date:
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April 1, 2008
- Author:
- Kosovan, Peter; LimpouchovÃ; ¡; , Zuzana; ProchÃ; ¡; zka, Karel
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Copyright informationCopyright Institute of Organic Chemistry and Biochemistry Apr 2008. Provided by ProQuest LLC. (Hide copyright information)
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In this work we study the effect of mobility of charges in annealed polyelectrolytes on their conformational behavior in poor solvents. A combination of molecular dynamics and Monte Carlo simulation techniques was used to take the dissociation into account. We investigated the relation between the conformation of the polyelectrolyte and the distribution of charges along the chain. The results suggest that in sufficiently poor solvents the local degree of charging differs significantly from the average. When a pearl-necklace conformation is formed, the degree of charging of the pearls is significantly lower than that of the strings. The redistribution of charges stabilizes the pearl-necklace ...