Interaction between brush layers of bottle-brush polyelectrolytes : molecular dynamics simulations
© 2011 American Chemical Society
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 27(2011), 17 vom: 06. Sept., Seite 11044-51 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2011
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article Research Support, U.S. Gov't, Non-P.H.S. Electrolytes Polymers |
| Zusammenfassung: | © 2011 American Chemical Society Interactions between tethered layers composed of aggrecan (charged bottle-brush) macromolecules are responsible for the molecular origin of cartilage biomechanical behavior. To elucidate the role of the electrostatic forces in interaction between bottle-brush layers, we have performed molecular dynamics simulations of charged and neutral bottle-brush macromolecules tethered to substrates. In the case of charged bottle-brush layers, the disjoining pressure P between two brush layers in salt-free solutions increases with decreasing distance D between substrates as P ∝ D(-1.8). A stronger dependence of the disjoining pressure P on the surface separation D was observed for neutral bottle-brushes, P ∝ D(-4.6), in the same interval of disjoining pressures. These scaling laws for dependence of disjoining pressure P on distance D are due to bending energy of the bottle-brush macromolecules within compressed brush layers. The weaker distance dependence observed in polyelectrolyte bottle-brushes is due to interaction between counterion clouds surrounding the bottle-brush macromolecules preventing strong brush overlap |
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| Beschreibung: | Date Completed 29.12.2011 Date Revised 31.08.2011 published: Print-Electronic Citation Status MEDLINE |
| ISSN: | 1520-5827 |
| DOI: | 10.1021/la2018067 |