Wetting and contact-line effects for spherical and cylindrical droplets on graphene layers: A comparative molecular-dynamics investigation

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 84, Issue 6, 2011, Pages

  Scocchi, Giulio ^a   Sergi, Danilo ^a   D'Angelo, Claudio ^a   Ortona, Alberto ^a  

^a UNIVERSITY OF APPLIED SCIENCES AND ARTS OF SOUTHERN SWITZERLAND   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON ATOMS; CONTACT LINES; DROP SIZE; GRAPHENE LAYERS; GRAPHITIC PLANES; LENNARD-JONES POTENTIAL; MOLECULAR DYNAMICS SIMULATIONS; NANODROPLET; SMALL SYSTEMS; WATER MODELS; WATER MOLECULE; YOUNG'S EQUATION;

CONTACT ANGLE; DROPS; DYNAMICS; GRAPHENE; MOLECULAR DYNAMICS;

MOLECULAR OXYGEN;

EID: 84555195725     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.84.061602     Document Type: Article

References (60)

1. H. W. Kroto, J. R. Heath, S. C. OBrien, R. F. Curl, and R. E. Smalley, Nature (London) NATUAS 0028-0836 10.1038/318162a0 318, 162 (1985).
2. S. Iijima, Nature (London) NATUAS 0028-0836 10.1038/354056a0 354, 56 (1991).
3. K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, and A. A. Firsov, Science SCIEAS 0036-8075 10.1126/science.1102896 306, 666 (2004). (Pubitemid 39440910)
4. A. K. Geim and K. S. Novoselov, Nat. Mater. 1476-1122 10.1038/nmat1849 6, 183 (2007). (Pubitemid 46353764)
5. Y.-M. Lin, K. A. Jenkins, A. Valdes-Garcia, J. P. Small, D. B. Farmer, and P. Avouris, Nano Lett. NALEFD 1530-6984 10.1021/nl803316h 9, 422 (2009).
6. E. K. Thostenson, R. Zhifeng, and T.-W. Chou, Compos. Sci. Technol. CSTCEH 0266-3538 10.1016/S0266-3538(01)00094-X 13, 1899 (2001). (Pubitemid 32956545)
7. K. D. Ausman, R. Piner, O. Lourie, R. S. Ruoff, and M. J. Korobov, Phys. Chem. B JPCBFK 1520-6106 10.1021/jp002555m 104, 8911 (2000).
8. S. D. Bergin, Adv. Mater. ADVMEW 0935-9648 10.1002/adma.200702451 20, 1876 (2008).
9. M. L. Usrey, A. Chaffee, E. S. Jeng, and M. S. J. Strano, Phys. Chem. C ADVMEW 1932-7447 10.1021/jp810992u 113, 9532 (2009).
10. Y. Si and E. T. Samulski, Nano Lett. NALEFD 1530-6984 10.1021/nl080604h 8, 1679 (2008).
11. H. Wang, Curr. Opin. Colloid Interface COCSFL 1359-0294 10.1016/j.cocis.2009.06.004 14, 364 (2009).
12. J. H. Walther, R. Jaffe, T. Halicioglu, and P. Koumoutsakos, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp011344u 105, 9980 (2001). (Pubitemid 35338610)
13. A. Pertsin and M. Grunze, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp0356968 108, 1357 (2004).
14. J. H. Walther, R. L. Jaffe, E. M. Kotsalis, T. Werder, T. Halicioglu, and P. Koumoutsakos, Carbon CRBNAH 0008-6223 10.1016/j.carbon.2003.12.071 42, 1185 (2004).
15. A. Maiti, Microelectron. J. MICEB9 0026-2692 10.1016/j.mejo.2006.06.003 39, 208 (2008). (Pubitemid 351163264)
16. M. Calvaresi, M. Dallavalle, and F. Zerbetto, Small MICEB9 1613-6810 10.1002/smll.200900528 5, 2191 (2009).
17. T. Werder, J. H. Walther, R. L. Jaffe, T. Halicioglu, F. Noca, and P. Koumoutsakos, Nano Lett. NALEFD 1530-6984 10.1021/nl015640u 1, 697 (2001). (Pubitemid 33672989)
18. T. Werder, J. H. Walther, R. L. Jaffe, T. Halicioglu, and P. Koumoutsakos, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp0268112 107, 1345 (2003).
19. E. M. Kotsalis, E. Demusthenous, J. H. Walther, S. C. Kassinos, and P. Koumoutsakos, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2005.06.122 412, 250 (2005). (Pubitemid 41203374)
20. J. Zou, B. Ji, X.-Q. Feng, and H. Gao, Nano Lett. NALEFD 1530-6984 10.1021/nl052289u 6, 430 (2006).
21. J. A. Thomas and J. H. McGaughey, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2837297 128, 84715 (2008). (Pubitemid 351328727)
22. H. A. Zambrano, J. H. Walther, P. Koumoutsakos, and I. F. Sbalzarini, Nano Lett. NALEFD 1530-6984 10.1021/nl802429s 9, 66 (2009).
23. E. M. Kotsalis, J. H. Walther, and P. Koumoutsakos, Int. J. Multiphase Flow IJMFBP 0301-9322 10.1016/j.ijmultiphaseflow.2004.03.009 30, 995 (2004). (Pubitemid 38958342)
24. R. L. Jaffe, P. Gonnet, T. Werder, J. H. Walther, and P. Koumoutsakos, Mol. Simul. MOSIEA 0892-7022 10.1080/08927020310001659124 30, 205 (2004). (Pubitemid 40026323)
25. J. H. Walther, T. Werder, P. Gonnet, M. Bergdorf, U. Zimmerli, and P. Koumoutsakos, PhysChemChemPhys PPCPFQ 1463-9076 10.1039/b312740k 6, 1988 (2004).
26. J. D. Halverson, C. Maldarelli, A. Couzis, and J. Koplik, Chem. Eng. Sci. CESCAC 0009-2509 10.1016/j.ces.2009.05.010 64, 4657 (2009).
27. S. D. Hong, M. Y. Ha, and S. Balachandar, J. Colloid Interface Sci. JCISA5 0021-9797 10.1016/j.jcis.2009.07.048 338, 187 (2009).
28. T. Koishi, K. Yasuoka, S. Fujikawa, T. Ebisuzaki, and X. C. Zeng, Proc. Natl. Acad. Sci. USA 106, 8435 (2009).
29. B. Shi and V. K. Dhir, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3055600 130, 34705 (2009).
30. P. G. de Gennes, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.57. 827 57, 827 (1985).
31. J. Berthier, Microdrops and Digital Microfluidics (William Andrew Publishing, Norwich, 2008).
32. A. Méndez-Vilas, A. B. Jódar-Reyes, and M. L. González-Martín, Small RMPHAT 1613-6810 10.1002/smll.200800819 5, 1366 (2009).
33. T. Young, Philos. Trans. R. Soc. RMPHAT 0261-0523 10.1098/rstl.1805.0005 95, 65 (1805).
34. T. Ingebrigtsen and S. Toxvaerd, J. Phys. Chem. C RMPHAT 1932-7447 10.1021/jp0676235 111, 8518 (2007). (Pubitemid 47152628)
35. A. Amirfazli and A. W. Neumann, Adv. Colloid Interface ACISB9 0001-8686 10.1016/j.cis.2004.05.001 110, 121 (2004).
36. T. D. Blake, A. Clarke, J. De Coninck, and M. J. de Ruijter, Langmuir LANGD5 0743-7463 10.1021/la962004g 13, 2164 (1997).
37. M. J. de Ruijter, T. D. Blake, and J. De Coninck, Langmuir LANGD5 0743-7463 10.1021/la990171l 15, 7836 (1999). (Pubitemid 30503914)
38. F. M. Fowkes and W. D. Harkins, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja01869a029 62, 3377 (1940).
39. I. Morcos, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1678482 57, 1801 (1972).
40. M. E. Schrader, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100590a013 23, 2508 (1975).
41. M. E. Schrader, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100458a021 84, 2774 (1980).
42. F. Cailliez, M. Trzpit, M. Soulard, I. Demachy, A. Boutin, J. Patarin, and A. H. Fuchs, PhysChemChemPhys PPCPFQ 1463-9076 10.1039/b807471b 10, 4817 (2008).
43. T. Svitova, R. M. Hill, and C. J. Radke, Colloids Surf. A CPEAEH 0927-7757 10.1016/S0927-7757(01)00517-9 183-185, 607 (2001). (Pubitemid 32396920)
44. S. Wang, Y. Zhang, N. Abidi, and S. Cabrales, Langmuir LANGD5 0743-7463 10.1021/la901402f 25, 11078 (2009).
45. Y. Wu, H. L. Tepper, and G. A. Voth, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2136877 124, 24503 (2006). (Pubitemid 43100215)
46. M. Brinkmann, J. Kierfeld, and R. Lipowsky, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/17/15/008 17, 2349 (2005). (Pubitemid 41237131)
47. A. D. McNaught and A. Wilkinson, Compendium of Chemical Terminology (Blackwell Scientific Publications, Oxford, 1997).
48. G. Raabe and R. J. Sadus, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2428302 126, 44701 (2007). (Pubitemid 46372710)
49. J. S. Hansen, H. Bruus, B. D. Todd, and B. P. J. Daivis, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3490664 133, 144906 (2010).
50. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, and J. Hermans, in Intermolecular Forces, edited by, B. Pullmann, (Reidel, Dordrecht, 1981), p. 331.
51. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.448118 81, 3684 (1984).
52. A. D. MacKerell Jr., J. Phys. Chem. B 1520-6106 10.1021/jp973084f 102, 3586 (1998).
53. J. M. Sorenson, G. Hura, R. M. Glaeser, and T. Head-Gordon, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1319615 113, 9149 (2000). (Pubitemid 32033381)
54. C. L. Brooks, B. M. Pettitt, and M. Karplus, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.449621 83, 5897 (1985).
55. D. van der Spoel and P. J. van Maaren, J. Chem. Theory Comput. JCPSA6 1549-9618 10.1021/ct0502256 2, 1 (2006).
56. W. Shinoda, R. DeVane, and M. L. Klein, Mol. Simul. MOSIEA 0892-7022 10.1080/08927020601054050 33, 27 (2007). (Pubitemid 46446368)
57. U. O. Moreles Vázquez, W. Shinoda, P. B. Moore, C.-C. Chiu, and S. O. Nielsen, J. Math. Chem. JMCHEG 0259-9791 10.1007/s10910-008-9374-7 45, 161 (2009).
58. S. O. Yesylevskyy, L. V. Schfer, D. Sengupta, and S. J. Marrink, PLoS Comput. Biol. JMCHEG 1553-734X 10.1371/journal.pcbi.1000810 6, 1 (2010).
59. L. Schimmele and S. Dietrich, Eur. Phys. J. E EPJSFH 1292-8941 10.1140/epje/i2009-10542-3 30, 427 (2009).
60. L. Schimmele, M. Napiórkowsi, and S. Dietrich, J. Chem. Phys. 0021-9606 10.1063/1.2799990 127, 164715 (2007). (Pubitemid 350094884)