Wetting and molecular dynamics simulations of simple liquids

Annual Review of Materials Research

Volumn 38, Issue , 2008, Pages 1-22

  De Coninck, J ^a   Blake, T D ^a  

^a UNIVERSITY OF MONS   (Belgium)

Author keywords

Molecular kinetic theory; Solid liquid interactions; Spreading; Wetting dynamics

Indexed keywords

EXTRACTION; LIQUIDS; MOLECULAR DYNAMICS; NANOFLUIDICS; QUANTUM CHEMISTRY; WETTING;

HOMOGENEOUS SUBSTRATES; LARGE-SCALE MOLECULAR DYNAMICS; MICROSCOPIC LEVELS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR-KINETIC THEORY; PHYSICAL PARAMETERS; REASONABLE ACCURACY; SIMPLE LIQUIDS; SOLID-LIQUID INTERACTIONS; SPREADING; WETTING DYNAMICS; WETTING LIQUIDS;

DYNAMICS;

EID: 50249099786     PISSN: 15317331     EISSN: None     Source Type: Book Series    
DOI: 10.1146/annurev.matsci.38.060407.130339     Document Type: Article

References (62)

1. Blake TD. 2006. The physics of moving wetting lines. J. Colloid Interface Sci. 299:1-13
2. Huh C, Scriven LE. 1971. Hydrodynamic model of steady movement of a solid/liquid/fluid contact line. J. Colloid Interface Sci. 35:85-101
3. Voinov OV. 1976. Hydrodynamics of wetting. Fluid Dyn. 11:714-12
4. Cox RG. 1986. The dynamics of the spreading of liquids on a solid surface. J. Fluid Mech. 168:169-94
5. Ngan CG, Dussan V EB. 1989. On the dynamics of liquid spreading on solid surfaces. J. Fluid Mech. 209:191-226
6. Shikhmurzaev YD. 1997. Moving contact lines in liquid/liquid/solid systems. J. Fluid Mecb. 334:211-49
7. Cherry BW, Holmes C.M. 1969. The kinetics of the wetting of surfaces by polymers. J. Colloid Interfact Sci. 29:174-76
8. Blake TD, Haynes JM. 1969. Kinetics of liquid/liquid displacement. J. Colloid Interface Sci. 30:421-23
9. Ruckenstein E, Dunn CS. 1977. Slip velocity during wetting of solids. J. Colloid Interface Sci. 59:135-38
10. Blake TD. 1993. Dynamic contact angles and wetting kinetics. In Wettability, ed. JC Berg, pp. 251-309. New York: Dekker
11. Blake TD, De Coninck J. 2002. The influence of solid-liquid interactions on dynamic wetting. Adv. Colloid Interface Sci. 96:21-36
12. Voué M, De Coninck J. 2000. Spreading and wetting at the microscopic scale: recent developments and perspectives. Acta Mater. 48:4405-417
13. Metropolis N, Rosenbluth AW, Rosenbluth MN, Teller AH, Teller E. 1953. Equation of state calculations by fast computing machines. J. Chem. Phys. 21:1087-92
14. Alder BJ, Wainwright TE. 1957. Phase transition for a hard sphere system. J. Chem. Phys. 27:1208-9
15. Rahman A. 1964. Correlations in the motion of atoms in liquid argon. Phys. Rev. 136A:405-11
16. Saville G. 1977. Computer simulation of the liquid-solid-vapour contact angle. Faraday II 73:1122-32
17. Allen MP, Tildesley DJ. 1987. Computer Simulations of Liquids. Oxford, UK: Oxford Univ. Press
18. De Coninck J, Hoorelbeke S, Valignat MP, Cazabat A-M. 1993. Effective microscopic model for the dynamics of spreading. Phys. Rev. E 48:4549-55
19. De Coninck J, D'Ortona U, Koplik J, Banavar JR. 1995. Terraced spreading of chain molecules via molecular dynamics. Phys. Rev. Lett. 74:928-31
20. D'Ortona U, De Coninck J, Koplik J, Banavar JR. 1996. Terraced spreading mechanisms for chain molecules. Phys. Rev. E 53:562-69
21. De Coninck J, Voué M. 1997. The dynamics of spreading at the microscopic scale. Interface Sci. 5:141-45
22. Koplik J, Banavar JR, Willemsen JF. 1988. Molecular dynamics of Poiseuille flow and moving contact lines. Phys. Rev. Lett. 60:1282-85
23. Koplik J, Banavar JR, Willemsen JF. 1989. Molecular dynamics of fluid flow at solid surfaces. Phys. Fluids A 1:781-94
24. Thompson PA, Brinckerhoff WB, Robbins MO. 1993. Microscopic studies of static and dynamic contact angles. J. Adhes. Sci. Technol. 7:535-41
25. Thompson PA, Robbins MO. 1989. Simulations of contact-line motion: slip and the dynamic contact angle. Phys Rev. Lett. 63:766-69
26. De Ruijter MJ, Blake TD, De Coninck J. 1999. Dynamic wetting studied by molecular modeling simulations of droplet spreading. Langmuir 15:7836-47
27. Blake TD, Decamps C, De Coninck J, de Ruijter M, Voué M. 1999. The dynamics of spreading at the microscopic scale. Colloids Surf. 154:5-11
28. Heine DR, Grest GS, Webb EB III. 2003. Spreading dynamics of polymer nanodroplets. Phys. Rev. E 68:061603
29. Heine DR, Grest GS, Webb EB III. 2004, Spreading dynamics of polymer nanodroplets in cylindrical geometries. Phys. Rev. E 70:011606
30. Martic G, Gentner F, Seveno D, Coulon D, De Coninck J, Blake TD. 2002. A molecular dynamics simulation of capillary imbibition. Langmuir 18:7971-76
31. Seveno D, De Coninck J. 2004. Possibility of different time scales in the capillary rise around a fiber. Langmuir 20:737-42
32. Gentner F, Ogonowski G, De Coninck J. 2003. Forced wetting dynamics: a molecular dynamics study. Langmuir 19:3996-4003
33. Seveno D, Ogonowski G, De Coninck J. 2004. Liquid coating of moving fiber at the nanoscale. Langmuir 20:8385-90
34. Adão MH, de Ruijter M, Voué M, De Coninck J. 1999. Droplet spreading on heterogeneous substrates using molecular dynamics. J. Phys. Rev. E 59:746-50
35. Martic G, Blake TD, De Coninck J. 2005. Dynamics of imbibition into a pore with a heterogeneous surface. Langmuir 21:11201-7
36. Grest G, Heine DR, Webb EB III. 2006. Liquid nanodroplets spreading on chemically patterned surfaces. Langmuir 22:4745-49
37. Seveno D, Ledauphin V, Martic G, Voué M, De Coninck J. 2002. Spreading drop dynamics on porous surfaces. Langmuir 18:7496-502
38. Bertrand E, Blake TD, De Coninck J, 2005. Spreading dynamics of chain-like monolayers: a molecular dynamics study. Langmuir 21:6628-35
39. Supple S, Quirke N. 2004. Molecular dynamics of transient oil flows in nanopores 1 : imbibition speeds for single wall carbon nanotubes. J. Chem. Phys. 121:6571-79
40. Swiler TP, Loehman RE. 2000. Molecular dynamics simulations of reactive wetting in metal-ceramic systems. Acta Mater. 48:4419-24
41. Webb EB III, Grest GS, Heine DR. 2003. Precursor film controlled wetting of Pb on Cu. Phys. Rev. Lett. 91:236102
42. Webb EB III, Grest GS, Heine DR, Hoyt JJ. 2005. Dissolutive wetting of Ag on Cu: a molecular dynamics simulation study. Acta Mater. 53:3163-77
43. Berttrand E, Blake TD, Ledauphin G, Ogonowski G, De Coninck J. 2007. Dynamics of dewetting at the nanoscale using molecular dynamics. Langmuir 23:3774-85
44. Press WH, Teukolsky SA, Vetterling UT, Flannery BP. 1992. Numerical Recipes in Fortran. Cambridge, UK: Cambridge Univ. Press. 2nd ed.
45. Blake TD, Clarke A, De Coninck J, de Ruijter MJ. 1997. Contact angle relaxation during droplet spreading: comparison between molecular kinetic theory and molecular, Langmuir 13:2164-66
46. Galea TM, Attard P. 2004. Molecular dynamics study of the effect of atomistic roughness on the slip length at the fluid-solid boundary during shear flow. Langmuir 20:3477-82
47. Priezjev NV, Darhuber AA, Troian SM. 2005. Slip behavior in liquid films on surfaces of patterned wettability: comparison between continuum and molecular dynamics simulations. Phys. Rev. E 71:041608
48. Voronov RS, Papavassiliou DV, Lee LL. 2006. Boundary slip and wetting properties of interfaces: correlation of the contact angle with slip length. J. Chem. Phys. 124:204701-10
49. Hoover WG. 1985. Canonical dynamics: equilibrium phase-space distributions. Phys. Rev. E 431:1695-97
50. Nose S, Yonezawa F. 1986. Isothermal-isobaric computer simulations of melting and crystallization of a Lennard-Jones system. J. Chem. Phys. 84:1803-14
51. de Ruijter MJ, De Coninck J, Blake TD, Clarke A, Rankin A. 1997. Contact angle relaxation during the spreading of partially wetting drops. Langmuir 13:7293-98
52. Martic G, Gentner F, Seveno D, De Coninck J, Blake TD. 2004. The possibility of different time scales in the dynamics of pore imbibition. Colloid Interface Sci. 270:171-79
53. 52a. Rowlinson JS, Widom B. 1989. Molecular Theory of Capillarity. Oxford, UK: Clarendon
54. Seveno D. 2004. Dynamic wetting of fibers. PhD thesis. Fac. Polytech. Mons, Belg. 100 pp.
55. Vega M-J, Seveno D, Lemaur G, Adão M-H, De Coninck J. 2005. Dynamics of the rise around a fiber: experimental evidence of the existence of several time scales, Langmuir 21:9584-90
56. James DF. 1974. The meniscus on the outside of a small circular cylinder. J. Fluid Mech. 63:657-64
57. Lucas R. 1918. Ueber das Zeitgesetz des Kapillaren Aufstiegs von Fluussigkeiten. Kolloid Z. 23:15-22
58. Washburn EW. 1921. The dynamics of capillary flow. Phys. Rev. 17:273-83
59. Martic M, De Coninck J, Blake TD. 2003. Influence of the dynamic contact angle on the characterisation of porous media. J. Colloid Interface Sci. 263:213-16
60. Blake TD, De Coninck J. 2004. The influence of pore wettability on the dynamics of imbibition and drainage. Colloids Surf. A 250:395-402
61. Tanner LH. 1979. The spreading of silicone oil drops on horizontal surfaces. J. Phys. D 2:1473-84
62. Koplik J, Banavar JR. 2000. Molecular simulations of wetting. Phys. Rev. Lett. 84:4401-4