Wetting behavior of water near nonpolar surfaces

Journal of Physical Chemistry C

Volumn 117, Issue 44, 2013, Pages 23017-23026

  Kumar, Vaibhaw ^a   Errington, Jeffrey R ^a  

^a State University of New York   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPRESSIBILITY OF WATER; ENTROPIC CONTRIBUTIONS; FACE CENTERED CUBIC LATTICE; HYDROPHOBIC SURFACES; INTERFACIAL PROPERTY; MOLECULAR SIMULATIONS; SOLID-LIQUID INTERFACES; TEMPERATURE DEPENDENCE;

ADHESION; CONTACT ANGLE; HYDROPHOBICITY; SUBSTRATES; SURFACE CHEMISTRY; TEMPERATURE DISTRIBUTION;

WETTING;

EID: 84889794202     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4084647     Document Type: Article

References (67)

1. Kauzmann, W. Some Factors in the Interpretation of Protein Denaturation Adv. Protein Chem. 1959, 14, 1-63
2. Tanford, C. Contribution of Hydrophobic Interactions to the Stability of the Globular Conformation of Proteins J. Am. Chem. Soc. 1962, 84, 4240-4247
3. Dill, K. A. Dominant Forces in Protein Folding Biochemistry 1990, 29, 7133-7155
4. Pratt, L. R. Molecular Theory of Hydrophobic Effects: "She Is Too Mean to Have Her Name Repeated. Annu. Rev. Phys. Chem. 2002, 53, 409-436
5. Acharya, H.; Mozdzierz, N. J.; Keblinski, P.; Garde, S. How Chemistry, Nanoscale Roughness, and the Direction of Heat Flow Affect Thermal Conductance of Solid-Water Interfaces Ind. Eng. Chem. Res. 2011, 51, 1767-1773
6. Ho, T. A.; Papavassiliou, D. V.; Lee, L. L.; Striolo, A. Liquid Water Can Slip on a Hydrophilic Surface Proc. Natl. Acad. Sci. U. S. A. 2011, 108, 16170-16175
7. Werder, T.; Walther, J. H.; Jaffe, R. L.; Halicioglu, T.; Koumoutsakos, P. On the Water-Carbon Interaction for Use in Molecular Dynamics Simulations of Graphite and Carbon Nanotubes J. Phys. Chem. B 2003, 107, 1345-1352
8. Sedlmeier, F.; Janecek, J.; Sendner, C.; Bocquet, L.; Netz, R.; Horinek, D. Water at Polar and Nonpolar Solid Walls (Review) Biointerphases 2008, 3, FC23-FC39
9. Shi, B.; Dhir, V. K. Molecular Dynamics Simulation of the Contact Angle of Liquids on Solid Surfaces J. Chem. Phys. 2009, 130, 034705
10. Hong, S. D.; Ha, M. Y.; Balachandar, S. Static and Dynamic Contact Angles of Water Droplet on a Solid Surface Using Molecular Dynamics Simulation J. Colloid Interface Sci. 2009, 339, 187-195
11. Argyris, D.; Ho, T. A.; Cole, D. R.; Striolo, A. Molecular Dynamics Studies of Interfacial Water at the Alumina Surface J. Phys. Chem. C 2011, 115, 2038-2046
12. Giovambattista, N.; Debenedetti, P. G.; Rossky, P. J. Effect of Surface Polarity on Water Contact Angle and Interfacial Hydration Structure J. Phys. Chem. B 2007, 111, 9581-9587
13. Taherian, F.; Marcon, V.; van der Vegt, N. F. A.; Leroy, F. What Is the Contact Angle of Water on Graphene? Langmuir 2013, 29, 1457-1465
14. Grzelak, E. M.; Errington, J. R. Computation of Interfacial Properties via Grand Canonical Transition Matrix Monte Carlo Simulation J. Chem. Phys. 2008, 128, 014710
15. Grzelak, E. M.; Errington, J. R. Calculation of Interfacial Properties via Free-Energy-Based Molecular Simulation: The Influence of System Size J. Chem. Phys. 2010, 132, 224702
16. Kumar, V.; Errington, J. R. Application of the Interface Potential Approach to Calculate the Wetting Properties of a Model Water System. Mol. Simul. 2013, in press
17. Rane, K. S.; Kumar, V.; Errington, J. R. Monte Carlo Simulation Methods for Computing the Wetting and Drying Properties of Model Systems J. Chem. Phys. 2011, 135, 234102
18. Berim, G. O.; Ruckenstein, E. Dependence of the Macroscopic Contact Angle on the Liquid-Solid Interaction Parameters and Temperature J. Chem. Phys. 2009, 130, 184712
19. Kumar, V.; Sridhar, S.; Errington, J. R. Monte Carlo Simulation Strategies for Computing the Wetting Properties of Fluids at Geometrically Rough Surfaces J. Chem. Phys. 2011, 135, 184702
20. Horsch, M.; Heitzig, M.; Dan, C.; Harting, J.; Hasse, H.; Vrabec, J. Contact Angle Dependence on the Fluid-Wall Dispersive Energy Langmuir 2010, 26, 10913-10917
21. Lee, C.-Y.; McCammon, J. A.; Rossky, P. J. The Structure of Liquid Water at an Extended Hydrophobic Surface J. Chem. Phys. 1984, 80, 4448-4455
22. Liu, G.; Craig, V. S. J. Macroscopically Flat and Smooth Superhydrophobic Surfaces: Heating Induced Wetting Transitions up to the Leidenfrost Temperature Faraday Discuss. 2010, 146, 141-151
23. Osborne, K. L. Temperature-Dependence of the Contact Angle of Water on Graphite, Silicon, and Gold. Worcester Polytechnic Institute, 2009.
24. Garcia, R.; Osborne, K.; Subashi, E. Validity of the "Sharp-Kink Approximation" for Water and Other Fluids J. Phys. Chem. B 2008, 112, 8114-8119
25. Dutta, R. C.; Khan, S.; Singh, J. K. Wetting Transition of Water on Graphite and Boron-Nitride Surfaces: A Molecular Dynamics Study Fluid Phase Equilib. 2011, 302, 310-315
26. Giovambattista, N.; Rossky, P. J.; Debenedetti, P. G. Effect of Temperature on the Structure and Phase Behavior of Water Confined by Hydrophobic, Hydrophilic, and Heterogeneous Surfaces J. Phys. Chem. B 2009, 113, 13723-13734
27. Zangi, R.; Berne, B. J. Temperature Dependence of Dimerization and Dewetting of Large-Scale Hydrophobes: A Molecular Dynamics Study J. Phys. Chem. B 2008, 112, 8634-8644
28. Granick, S.; Bae, S. C. A Curious Antipathy for Water Science 2008, 322, 1477-1478
29. Godawat, R.; Jamadagni, S. N.; Garde, S. Characterizing Hydrophobicity of Interfaces by Using Cavity Formation, Solute Binding, and Water Correlations Proc. Natl. Acad. Sci. U. S. A. 2009, 106, 15119-15124
30. Huang, D. M.; Chandler, D. The Hydrophobic Effect and the Influence of Solute-Solvent Attractions J. Phys. Chem. B 2002, 106, 2047-2053
31. Lum, K.; Chandler, D.; Weeks, J. D. Hydrophobicity at Small and Large Length Scales J. Phys. Chem. B 1999, 103, 4570-4577
32. Ocko, B. M.; Dhinojwala, A.; Daillant, J. Comment on "How Water Meets a Hydrophobic Surface" Phys. Rev. Lett. 2008, 101, 039601
33. Poynor, A. Comment on "How Water Meets a Hydrophobic Surface" Phys. Rev. Lett. 2008, 101, 039601
34. Mezger, M.; Reichert, H.; Schöder, S.; Okasinski, J.; Schröder, H.; Dosch, H.; Palms, D.; Ralston, J.; Honkimäki, V. High-Resolution in Situ X-ray Study of the Hydrophobic Gap at the Water-Octadecyltrichlorosilane Interface Proc. Natl. Acad. Sci. U. S. A. 2006, 103, 18401-18404
35. Maccarini, M.; Steitz, R.; Himmelhaus, M.; Fick, J.; Tatur, S.; Wolff, M.; Grunze, M.; Janeček, J.; Netz, R. R. Density Depletion at Solid-Liquid Interfaces: a Neutron Reflectivity Study Langmuir 2006, 23, 598-608
36. Janeček, J.; Netz, R. R. Interfacial Water at Hydrophobic and Hydrophilic Surfaces: Depletion versus Adsorption Langmuir 2007, 23, 8417-8429
37. Koelsch, P.; Viswanath, P.; Motschmann, H.; Shapovalov, V. L.; Brezesinski, G.; Möhwald, H.; Horinek, D.; Netz, R. R.; Giewekemeyer, K.; Salditt, T.; Schollmeyer, H.; von Klitzing, R.; Daillant, J.; Guenoun, P. Specific Ion Effects in Physicochemical and Biological Systems: Simulations, Theory and Experiments Colloids Surf., A 2007, 303, 110-136
38. Mamatkulov, S. I.; Khabibullaev, P. K.; Netz, R. R. Water at Hydrophobic Substrates: Curvature, Pressure, and Temperature Effects Langmuir 2004, 20, 4756-4763
39. Jamadagni, S. N.; Godawat, R.; Garde, S. Hydrophobicity of Proteins and Interfaces: Insights from Density Fluctuations. In Annual Review of Chemical and Biomolecular Engineering; Prausnitz, J. M., Ed.; Annual Reviews: Palo Alto, 2011; Vol. 2, pp 147-171.
40. Ball, P. Water as an Active Constituent in Cell Biology Chem. Rev. 2007, 108, 74-108
41. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. The missing term in effective pair potentials J. Phys. Chem. 1987, 91, 6269-6271
42. Levitt, M.; Hirshberg, M.; Sharon, R.; Laidig, K. E.; Daggett, V. Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution J. Phys. Chem. B 1997, 101, 5051-5061
43. Dietrich, S. Wetting Phenomena. In Phase Transitions and Critical Phenomena; Domb, C.; Lebowitz, J. L., Eds.; Academic Press: London, 1988; Vol. 12.
44. Evans, R. Microscopic theories of simple fluids and their interfaces. In Les Houches-Session XLVIII, Liquids at Interfaces; Charvolin, J.; Joanny, J.-F.; Zinn-Justin, J., Eds.; Elsevier: Amsterdam, 1990.
45. Indekeu, J. O. Line Tension at Wetting Int. J. Mod. Phys. B 1994, 8, 309-345
46. de Gennes, P. G. Wetting: Statics and Dynamics Rev. Mod. Phys. 1985, 57, 827-863
47. Errington, J. R. Prewetting Transitions for a Model Argon on Solid Carbon Dioxide System Langmuir 2004, 20, 3798-3804
48. Errington, J. R.; Wilbert, D. W. Prewetting Boundary Tensions from Monte Carlo Simulation Phys. Rev. Lett. 2005, 95, 226107
49. Grzelak, E. M.; Errington, J. R. Nanoscale Limit to the Applicability of Wenzel's Equation Langmuir 2010, 26, 13297-13304
50. Grzelak, E. M.; Shen, V. K.; Errington, J. R. Molecular Simulation Study of Anisotropic Wetting Langmuir 2010, 26, 8274-8281
51. Kumar, V.; Errington, J. R. Monte Carlo Simulation Strategies to Compute Interfacial and Bulk Properties of Binary Fluid Mixtures J. Chem. Phys. 2013, 138, 174112
52. Sellers, M. S.; Errington, J. R. Influence of Substrate Strength on Wetting Behavior J. Phys. Chem. C 2008, 112, 12905-12913
53. MacDowell, L. G.; Müller, M. Adsorption of Polymers on a Brush: Tuning the Order of the Wetting Phase Transition J. Chem. Phys. 2006, 124, 084907
54. MacDowell, L. G.; Müller, M.; Binder, K. How Do Droplets on a Surface Depend on the System Size? Colloids Surf., A 2002, 206, 277-291
55. Koga, K.; Indekeu, J. O.; Widom, B. Infinite-Order Transitions in Density-Functional Models of Wetting Phys. Rev. Lett. 2010, 104, 036101
56. Koga, K.; Widom, B. Mean-Field Density-Functional Model of a Second-Order Wetting Transition J. Chem. Phys. 2008, 128, 114716
57. Machlin, E. S. On Interfacial Tension at a Rigid Apolar Wall-Water Interface Langmuir 2012, 28, 16729-16732
58. Taherian, F.; Leroy, F.; van der Vegt, N. F. A. Interfacial Entropy of Water on Rigid Hydrophobic Surfaces Langmuir 2013, 29, 9807-9813
59. Berne, B. J.; Weeks, J. D.; Zhou, R. Dewetting and Hydrophobic Interaction in Physical and Biological Systems Annu. Rev. Phys. Chem. 2009, 60, 85-103
60. Speedy, R. J.; Prielmeier, F. X.; Vardag, T.; Lang, E. W.; Lüdemann, H. D. Diffusion in Simple Fluids Mol. Phys. 1989, 66, 577-590
61. Ben-Amotz, D.; Stell, G. Reformulation of Weeks-Chandler-Andersen Perturbation Theory Directly in Terms of a Hard-Sphere Reference System J. Phys. Chem. B 2004, 108, 6877-6882
62. Hsu, C. S.; Chandler, D.; Lowden, L. J. Applications of the RISM Equation to Diatomic Fluids: the Liquids Nitrogen, Oxygen and Bromine Chem. Phys. 1976, 14, 213-228
63. Quéré, D. Wetting and Roughness Annu. Rev. Mater. Sci. 2008, 38, 71-99
64. van Swol, F.; Henderson, J. R. Wetting and Drying Transitions at a Fluid-Wall Interface: Density-Functional Theory versus Computer Simulation Phys. Rev. A 1989, 40, 2567-2578
65. Giovambattista, N.; Rossky, P. J.; Debenedetti, P. G. Effect of Pressure on the Phase Behavior and Structure of Water Confined between Nanoscale Hydrophobic and Hydrophilic Plates Phys. Rev. E 2006, 73, 041604
66. Sarupria, S.; Garde, S. Quantifying Water Density Fluctuations and Compressibility of Hydration Shells of Hydrophobic Solutes and Proteins Phys. Rev. Lett. 2009, 103, 037803
67. Acharya, H.; Vembanur, S.; Jamadagni, S. N.; Garde, S. Mapping Hydrophobicity at the Nanoscale: Applications to Heterogeneous Surfaces and Proteins Faraday Discuss. 2010, 146, 353-365