Molecular dynamics simulation of semiflexible polyampholyte brushes--The effect of charged monomers sequence |
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Authors: | M Baratlo and H Fazli |
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Institution: | (1) Institute for Advanced Studies in Basic Sciences (IASBS), P.O. Box 45195-1159, 45195 Zanjan, Iran |
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Abstract: | Planar brushes formed by end-grafted semiflexible polyampholyte chains, each chain containing an equal number of positively
and negatively charged monomers, are studied using molecular dynamics simulations. Keeping the length of the chains fixed,
the dependences of the average brush thickness and equilibrium statistics of the brush conformations on the grafting density
and the salt concentration are obtained with various sequences of charged monomers. When similarly charged monomers of the
chains are arranged in longer blocks, the average brush thickness is smaller and the dependence of brush properties on the
grafting density and the salt concentration is stronger. With such long blocks of similarly charged monomers, the anchored
chains bond to each other in the vicinity of the grafting surface at low grafting densities and buckle toward the grafting
surface at high grafting densities. |
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Keywords: | PACS" target="_blank">PACS 82 35 Rs Polyelectrolytes 36 20 -r Macromolecules and polymer molecules 61 41 +e Polymers elastomers and plastics |
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