Upright or flat orientations of the ethanol molecules on a surface with charge dipoles and the implication for wetting behavior

Journal of Physical Chemistry C

Volumn 118, Issue 4, 2014, Pages 1873-1878

  Wang, Chunlei ^a   Zhao, Liang ^a,b   Zhang, Donghua ^a   Chen, Jige ^a   Shi, Guosheng ^a   Fang, Haiping ^a  

^a SHANGHAI INSTITUTE OF APPLIED PHYSICS   (China)

^b INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION BEHAVIOR; ETHANOL DROPLET; ETHANOL MONOLAYERS; MOLECULAR DYNAMICS SIMULATIONS; STERIC EXCLUSION; SURFACE LATTICE; UPRIGHT ORIENTATIONS; WETTING BEHAVIOR;

DROPS; HYDROGEN BONDS; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULES; MONOLAYERS; WETTING;

ETHANOL;

EID: 84893228065     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4062016     Document Type: Article

References (46)

1. Verdaguer, A.; Sacha, G. M.; Bluhm, H.; Salmeron, M. Molecular Structure of Water at Interfaces: Wetting at the Nanometer Scale Chem. Rev. 2006, 106, 1478-1510
2. Wang, C. L. Stable Liquid Water Droplet on a Water Monolayer Formed at Room Temperature on Ionic Model Substrates Phys. Rev. Lett. 2009, 103, 137801
3. Zhang, F. Epitaxial Growth of Peptide Nanofilaments on Inorganic Surfaces: Effects of Interfacial Hydrophobicity/Hydrophilicity Angew. Chem., Int. Ed. 2006, 45, 3611-3613
4. Zhu, C.; Li, H.; Huang, Y.; Zeng, X. C.; Meng, S. Microscopic Insight into Surface Wetting: Relations between Interfacial Water Structure and the Underlying Lattice Constant Phys. Rev. Lett. 2013, 110, 126101
5. Sha, M. Ordering Layers of [bmim][PF[sub 6]] Ionic Liquid on Graphite Surfaces: Molecular Dynamics Simulation J. Chem. Phys. 2008, 128, 134504-134507
6. 2 Surfaces J. Phys. Chem. C 2010, 114, 14496-14502
7. Wang, C. L. Critical Dipole Length for the Wetting Transition Due to Collective Water-Dipoles Interactions Sci. Rep. 2012, 2, 358
8. Wang, C. L.; Zhou, B.; Xiu, P.; Fang, H. P. Effect of Surface Morphology on the Ordered Water Layer at Room Temperature J. Phys. Chem. C 2011, 115, 3018-3024
9. Ball, P. Material Witness: When Water Doesn't Wet Nat. Mater. 2013, 12, 289-289
10. Wang, C. L.; Li, J. Y.; Fang, H. P. Ordered Water Monolayer at Room Temperature Rendiconti Lincei 2011, 22, 1-12
11. Das, P.; Zhou, R. H. Urea-Induced Drying of Carbon Nanotubes Suggests Existence of a Dry Globule-like Transient State During Chemical Denaturation of Proteins J. Phys. Chem. B 2010, 114, 5427-5430
12. Sommer, A. P.; Zhu, D.; Bruhne, K. Surface Conductivity on Hydrogen-Terminated Nanocrystalline Diamond: Implication of Ordered Water Layers Cryst. Growth Des. 2007, 7, 2298-2301
13. Giovambattista, N.; Rossky, P. J.; Debenedetti, P. G. Computational Studies of Pressure, Temperature, and Surface Effects on the Structure and Thermodynamics of Confined Water Annu. Rev. Phys. Chem. 2012, 63, 179-200
14. Quéré, D. Wetting and Roughness Annu. Rev. Mater. Res. 2008, 38, 71-99
15. 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
16. Hallett, J. P.; Welton, T. Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2 Chem. Rev. 2011, 111, 3508-3576
17. Gao, Y.; Shao, N.; Pei, Y.; Chen, Z.; Zeng, X. C. Catalytic Activities of Subnanometer Gold Clusters (Au16-Au18, Au20, and Au27-Au35) for CO Oxidation ACS Nano 2011, 5, 7818-7829
18. Herves, P. Catalysis by Metallic Nanoparticles in Aqueous Solution: Model Reactions Chem. Soc. Rev. 2012, 41, 5577-5587
19. Berne, B. J.; Weeks, J. D.; Zhou, R. H. Dewetting and Hydrophobic Interaction in Physical and Biological Systems Annu. Rev. Phys. Chem. 2009, 60, 85-103
20. England, J. L.; Haran, G. Role of Solvation Effects in Protein Denaturation: From Thermodynamics to Single Molecules and Back. Annu. Rev. Phys. Chem. 2011, 62, 257-277.
21. Nutt, D. R.; Smith, J. C. Dual Function of the Hydration Layer around an Antifreeze Protein Revealed by Atomistic Molecular Dynamics Simulations J. Am. Chem. Soc. 2008, 130, 13066-13073
22. 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
23. James, M. Nanoscale Water Condensation on Click-Functionalized Self-Assembled Monolayers Langmuir 2011, 27, 10753-10762
24. James, M. Nanoscale Condensation of Water on Self-Assembled Monolayers Soft Matter 2011, 7, 5309-5318
25. Limmer, D. T.; Willard, A. P.; Madden, P.; Chandler, D. Hydration of Metal Surfaces Can Be Dynamically Heterogeneous and Hydrophobic Proc. Natl. Acad. Sci. U.S.A. 2013, 110, 4200-4205
26. Phan, A.; Ho, T. A.; Cole, D. R.; Striolo, A. Molecular Structure and Dynamics in Thin Water Films at Metal Oxide Surfaces: Magnesium, Aluminum, and Silicon Oxide Surfaces J. Phys. Chem. C 2012, 116, 15962-15973
27. Rotenberg, B.; Patel, A. J.; Chandler, D. Molecular Explanation for Why Talc Surfaces Can Be Both Hydrophilic and Hydrophobic J. Am. Chem. Soc. 2011, 133, 20521-20527
28. Ren, X. P. Water-Induced Ethanol Dewetting Transition J. Chem. Phys. 2012, 137, 024703-024706
29. Ren, X. P. Ethanol Promotes Dewetting Transition at Low Concentrations Soft Matter 2013, 9, 4655-4660
30. Xu, M.; Chandler, L. J.; Woodward, J. J. Ethanol Inhibition of Recombinant NMDA Receptors Is Not Altered by Coexpression of CaMKII-[alpha] or CaMKII-[beta] Alcohol 2008, 42, 425-432
31. Ren, H.; Honse, Y.; Peoples, R. W. A Site of Alcohol Action in the Fourth Membrane-Associated Domain of the N-methyl-D-aspartate Receptor J. Biol. Chem. 2003, 278, 48815-48820
32. Shao, Q. Molecular Dynamics Study on Diameter Effect in Structure of Ethanol Molecules Confined in Single-Walled Carbon Nanotubes J. Phys. Chem. C 2007, 111, 15677-15685
33. Bennaim, A. Inversion of Kirkwood-buff Theory of Solutions-Application to Water-ethanol System J. Chem. Phys. 1977, 67, 4884-4890
34. Nishi, N. Molecular Association in Ethanol-water Mixtures Studied by Mass Spectrometric Analysis of Clusters Generated through Adiabatic Expansion of Liquid Jets J. Am. Chem. Soc. 1988, 110, 5246-5255
35. Nishi, N. Hydrogen-Bonded Cluster Formation and Hydrophobic Solute Association in Aqueous Solutions of Ethanol J. Phys. Chem. 1995, 99, 462-468
36. Dixit, S.; Crain, J.; Poon, W. C. K.; Finney, J. L.; Soper, A. K. Molecular Segregation Observed in a Concentrated Alcohol-Water Solution Nature 2002, 416, 829-832
37. Roney, A. B.; Space, B.; Castner, E. W.; Napoleon, R. L.; Moore, P. B. A Molecular Dynamics Study of Aggregation Phenomena in Aqueous n-Propanol J. Phys. Chem. B 2004, 108, 7389-7401
38. Andoh, Y.; Yasuoka, K. Hydrogen-Bonded Clusters on the Vapor/Ethanol-Aqueous-Solution Interface J. Phys. Chem. B 2006, 110, 23264-23273
39. Yang, L.; Gao, Y. Q. Effects of Cosolvents on the Hydration of Carbon Nanotubes J. Am. Chem. Soc. 2010, 132, 842-848
40. Zhou, B.; Wang, C.-L.; Xiu, P.; Fang, H.-P. Structure and Dynamics of Ethanol Adsorbed on a Mica Surface Commun. Theor. Phys. 2012, 57, 308
41. Phan, A.; Cole, D. R.; Striolo, A. Liquid Ethanol Simulated on Crystalline Alpha Alumina J. Phys. Chem. B 2013, 117, 3829-3840
42. Saiz, L.; Padró, J. A.; Guàrdia, E. Structure and Dynamics of Liquid Ethanol J. Phys. Chem. B 1997, 101, 78-86
43. Lindahl, E.; Hess, B.; van der Spoel, D. GROMACS 3.0: A Package for Molecular Simulation and Trajectory Analysis J. Mol. Model. 2001, 7, 306-317
44. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. The Missing Term in Effective Pair Potentials J. Phys. Chem. 1987, 91, 6269-6271
45. Darden, T.; York, D.; Pedersen, L. Particle Mesh Ewald-an N.LOG(N) Method for Ewald Sums in Large Systems J. Chem. Phys. 1993, 98, 10089-10092
46. Sommer, A. P.; Pavláth, A. E. The Subaquatic Water Layer Cryst. Growth Des. 2006, 7, 18-24