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How strongly can calcium ion influence the hydrogen-bond dynamics at complex aqueous interfaces?
Published in
2007
PMID: 17552792
Volume: 126
   
Issue: 20
Abstract
The author has performed three independent molecular dynamics computer simulations to examine the effects of counterion identity on hydrogen-bond dynamics in the enclosed water pool of anionic surfactant-based reverse micelles. The water-water hydrogen-bond lifetime in the reverse micelle (RM) with calcium ions is found to be longer than that in the RM with sodium or ammonium ions. The hydrogen bond between a polar head group and a water molecule, on the other hand, breaks but reforms most rapidly in the RM with calcium ions, indicating that there exists a strong competition between head group-counterion and head group-water interactions at such complex interfaces. © 2007 American Institute of Physics.
About the journal
JournalJournal of Chemical Physics
ISSN00219606
Open AccessNo
Concepts (35)
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    Anionic surfactants
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    Calcium
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    Computer simulation
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    Hydrogen bonds
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    Micelles
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    Positive ions
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    Water
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    COMPLEX INTERFACES
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    POLAR HEAD GROUPS
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    REVERSE MICELLES (RM)
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    Molecular dynamics
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    Carbon dioxide
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    Cation
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    Hydrogen
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    Ion
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    Article
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    Chemistry
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    Computer program
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    Hydrogen bond
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    Methodology
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    Micelle
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    Physical chemistry
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    Solution and solubility
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    Surface property
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    Theoretical model
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    Time
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    Cations
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    Chemistry, physical
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    Hydrogen bonding
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    Ions
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    Models, theoretical
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    Software
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    Solutions
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    Surface properties
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    Time factors