Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation

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

Volumn 83, Issue 5, 2011, Pages

  Ghoufi, A ^a   Malfreyt, P ^b  

^a UNIVERSITÉ DE RENNES 1   (France)

^b UNIVERSITÉ CLERMONT AUVERGNE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

LIQUIDS; SUPERCONDUCTING MATERIALS; SURFACE TENSION;

DISSIPATIVE PARTICLE DYNAMICS; INTERFACIAL PROPERTY; INTERFACIAL SYSTEMS; LIQUID-VAPOR INTERFACE; MESO-SCALE MODELING; MESOSCOPIC MODELING; MESOSCOPIC SIMULATION; SCALING RELATIONS;

PHASE INTERFACES;

EID: 79961087191     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.83.051601     Document Type: Article

References (42)

1. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.445869 79, 926 (1983).
2. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100308a038 91, 6269 (1987).
3. M. W. Mahoney and W. L. Jorgensen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481505 112, 8910 (2000).
4. J. L. F. Abascal and C. Vega, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2121687 123, 234505 (2005). (Pubitemid 41828986)
5. J. Alejandre, D. J. Tildesley, and G. A. Chapela, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.469505 102, 4574 (1995).
6. A. Ghoufi, F. Goujon, V. Lachet, and P. Malfreyt, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2904458 128, 154716 (2008). (Pubitemid 351574685)
7. P. J. Veld, A. E. Ismail, and G. S. Grest, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2770730 127, 144711 (2007). (Pubitemid 47569037)
8. F. Chen and P. E. Smith, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2745718 126, 221101 (2007). (Pubitemid 46961569)
9. C. Vega and E. de Miguel, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2715577 126, 154707 (2007). (Pubitemid 46644954)
10. B. Shi, S. Sinha, and V. Dhir, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2199849 124, 204715 (2006). (Pubitemid 43838646)
11. J. Alejandre and G. A. Chapela, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3279128 132, 014701 (2010).
12. M. Gonzalez-Melchor, P. Orea, J. Lopez-Lemus, F. Bresme, and J. Alejandre, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1854625 122, 094503 (2005). (Pubitemid 41042153)
13. P. Orea, J. Lopez-Lemus, and J. Alejandre, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2018640 123, 114702 (2005). (Pubitemid 41377082)
14. J. R. Errington and D. A. Kofke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2795698 127, 174709 (2007). (Pubitemid 350075545)
15. F. Biscay, A. Ghoufi, F. Goujon, V. Lachet, and P. Malfreyt, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3132708 130, 184710 (2009).
16. A. Trokhymchuk and J. Alejandre, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480192 111, 8510 (1999).
17. F. Goujon, P. Malfreyt, J. M. Simon, A. Boutin, B. Rousseau, and A. H. Fuchs, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1819868 121, 12559 (2004). (Pubitemid 41041611)
18. G. J. Gloor, G. Jackson, F. J. Blas, and E. de Miguel, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2038827 123, 134703 (2005). (Pubitemid 41434737)
19. C. Ibergay, A. Ghoufi, F. Goujon, P. Ungerer, A. Boutin, B. Rousseau, and P. Malfreyt, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.75.051602 75, 051602 (2007). (Pubitemid 46707814)
20. F. Goujon, P. Malfreyt, A. Boutin, and A. H. Fuchs, Mol. Simul. MOSIEA 0892-7022 10.1080/08927020108023126 27, 99 (2001).
21. F. Goujon, P. Malfreyt, A. Boutin, and A. H. Fuchs, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1468216 116, 8106 (2002). (Pubitemid 34555082)
22. P. J. Hoogerbrugge and J. M. V. A. Koelman, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/19/3/001 19, 155 (1992).
23. R. D. Groot and P. B. Warren, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.474784 107, 4423 (1997).
24. R. D. Groot and K. L. Rabone, Biophys. J. BIOJAU 0006-3495 10.1016/S0006-3495(01)75737-2 81, 725 (2001).
25. R. D. Groot, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1574800 118, 11265 (2003).
26. L. Rekvig, B. Hafskjold, and B. Smit, Langmuir LANGD5 0743-7463 10.1021/la048071p 20, 11583 (2004). (Pubitemid 40049632)
27. I. Pagonabarraga and D. Frenkel, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1396848 115, 5015 (2001). (Pubitemid 32969488)
28. S. Y. Trofimov, E. L. F. Nies, and M. A. Michels, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1515774 117, 9383 (2002).
29. P. B. Warren, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.68.066702 68, 066702 (2003).
30. A. Ghoufi and P. Malfreyt, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.82.016706 82, 016706 (2010).
31. F. J. Millero, R. W. Curry, and W. Drost-Hansen, J. Chem. Eng. Data JCEAAX 0021-9568 10.1021/je60043a018 14, 422 (1969).
32. S. Y. Trofimov, E. L. F. Nies, and M. A. J. Michels, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2052667 123, 144102 (2005). (Pubitemid 41476698)
33. A. Ghoufi, D. Morineau, R. Lefort, and P. Malfreyt, J. Chem. Theory Comput. JCPSA6 1549-9618 10.1021/ct100169r 6, 3212 (2010).
34. J. G. Kirkwood and F. P. Buff, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1747248 17, 338 (1949).
35. J. H. Irving and J. G. Kirkwood, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1747782 18, 817 (1950).
36. Data taken from the staturation properties of water at the NIST Standard Reference Database [http://webbook.nist.gov].
37. P. Schofield and J. R. Henderson, Proc. R. Soc. London A JCPSA6 1364-5021 10.1098/rspa.1982.0015 379, 231 (1982).
38. J. Sampayo, A. Malijevský, E. A. Muller, E. de Miguel, and G. Jackson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3376612 132, 141101 (2010).
39. B. Block, S. Das, M. Oettel, P. Virnau, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3493464 133, 154702 (2010).
40. S. J. Hemingway, J. R. Henderson, and J. S. Rowlinson, Symp. Chem. Soc. Faraday FSYCA3 0301-5696 10.1039/fs9811600033 16, 33 (1981).
41. F. Biscay, A. Ghoufi, V. Lachet, and P. Malfreyt, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3236390 131, 124707 (2009).
42. F. Biscay, A. Ghoufi, V. Lachet, and P. Malfreyt, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp906953a 113, 14277 (2009).