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Universal Repulsive Contribution to the Solvent-Induced Interaction Between Sizable, Curved Hydrophobes

Journal Article · · Journal of Physical Chemistry Letters
 [1];  [2];  [2]
  1. Virginia Commonwealth Univ., Richmond, VA (United States). Dept. of Chemistry; Virginia Commonwealth University
  2. Virginia Commonwealth Univ., Richmond, VA (United States). Dept. of Chemistry
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In addition to the direct attraction, sizable hydrophobes in water experience an attractive force mediated by interfacial water. Using simple geometric arguments, we identify here the conditions at which the water-induced interaction between curved hydrocarbon surfaces becomes repulsive. The repulsive contribution arises from the thermodynamic penalty due to the emergence of the liquid/vapor boundary created as water gets expelled between curved hydrophobes. By augmenting the mean field approach with atomistic simulations of pristine and alkyl-coated graphitic nanoparticles in three distinct geometries, spherical, cylindrical and planar, immersed in water, we show the macroscopic thermodynamics remarkably works down to the molecular scale. The new insights improve the prediction and control of wetting and dispersion properties for a broad class of nonpolar nanoparticles.
Research Organization:
Virginia Commonwealth Univ., Richmond, VA (United States)
Sponsoring Organization:
National Science Foundation (NSF) (United States); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
AC02-05CH11231; SC0004406
OSTI ID:
1525957
Journal Information:
Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 16 Vol. 7; ISSN 1948-7185
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

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Cited By (4)

How Water’s Properties Are Encoded in Its Molecular Structure and Energies journal September 2017
Curvature dependence of the effect of ionic functionalization on the attraction among nanoparticles in dispersion journal June 2018
Solvent-mediated interactions between nanostructures: From water to Lennard-Jones liquid journal October 2018
Solvent-mediated interactions between nanostructures: from water to Lennard-Jones liquid text January 2018

Figures / Tables (24)

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY