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Effects of counterion size on the attraction between similarly charged surfaces
Published in
2010
PMID: 21133451
Volume: 133
   
Issue: 20
Abstract
Interaction between similarly charged surfaces can be attractive at high electrostatic coupling constants = lBZ2/μGC, where lB is the Bjerrum length, μGC the Gouy-Chapman length, and Z the valency of counterions. While this effect has been studied previously in detail, as a function of surface charge density and valency of the pointlike counterions, much less is known about the effect of counterion size. We apply the Wang-Landau sampling Monte Carlo (MC) simulation method to compute the free energy F as a function of the scaled distance between the plates D̃ =D/ μGC for a range of and scaled counterion radii R̃ =R/ μGC. We find that for large and small ion radius, there is a global equilibrium distance D̃ = D̃ eq =2 (1+ R̃), correctly giving the expected value at the point counterion limit. With increasing R̃ the global minimum in F(D̃) changes to a metastable state and finally this minimum vanishes when R̃ reaches a critical value, which depends on . We present a state diagram indicating approximate boundaries between these three regimes. The Wang-Landau MC method, as it is applied here, offers a possibility to study a wide spectrum of extended problems, which cannot be treated by the use of contact value theorem. © 2010 American Institute of Physics.
About the journal
JournalJournal of Chemical Physics
ISSN00219606
Open AccessNo
Concepts (28)
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    BJERRUM LENGTH
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    CHARGED SURFACES
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    CONTACT-VALUE THEOREM
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    Counterions
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    Critical value
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    ELECTROSTATIC COUPLING
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    EQUILIBRIUM DISTANCES
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    Expected values
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    Global minima
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    GOUY-CHAPMAN LENGTH
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    ION RADII
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    META-STABLE STATE
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    Monte carlo simulations
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    SCALED DISTANCES
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    STATE DIAGRAM
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    VALENCIES
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    WANG-LANDAU SAMPLING
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    WIDE SPECTRUM
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    Monte carlo methods
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    Charged particles
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    Ion
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    Article
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    Chemistry
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    Monte carlo method
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    Static electricity
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    Surface property
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    Ions
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    Surface properties