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Molecular dynamic study of capillary forces on clay particles
Published in
2014
Volume: 88-89
   
Pages: 170 - 177
Abstract
Capillary forces between discrete colloid particles are of interest in many areas of science and engineering. This study used molecular dynamics (MD) to examine capillary phenomena that develop in a clay-water-air system, which requires an understanding of capillary forces, contact angles, and meniscus curvatures. The capillary formed between two parallel pyrophyllite clay particles and pure water was studied using MD for various system parameters which included particle separation, particle thickness, and strength of the clay-water van der Waals force. For a given set of potential energy parameters, the contact angle was independent of particle separation (≈550), the radius of curvature depended on particle separation, and particle thickness had a negligible influence on contact angles and meniscus radii. The van der Waals energy parameters, however, had a profound influence on contact angles and meniscus radii. In all cases, capillary forces on clay particles calculated by MD agreed with values calculated using the classical Young-Laplace equation. When the separation distance is 40Å, the force was calculated to be 9.87×10-10N by Young-Laplace equation and 8.37×10-10N by MD. © 2013.
About the journal
JournalApplied Clay Science
ISSN01691317
Open AccessNo
Concepts (23)
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    Capillary
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    CAPILLARY PHENOMENA
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    Particle separation
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    PYROPHYLLITE
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    Science and engineering
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    Separation distances
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    VAN DER WAALS ENERGIES
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    YOUNG LAPLACE EQUATION
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    Contact angle
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    Integrodifferential equations
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    Laplace equation
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    Particle separators
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    Silicate minerals
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    Surface tension
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    Van der waals forces
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    Molecular dynamics
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    Capillarity
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    CLAY MINERAL
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    Curvature
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    MOLECULAR ANALYSIS
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    Potential energy
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    PYROPHYLLITE
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    Separation