Structural and thermodynamic behavior of alkane chains at the liquid/vapor interface

Journal of Chemical Physics

Volumn 138, Issue 13, 2013, Pages

  Hernandez, David Alejandro ^a   Domínguez, Hector ^a  

^a INSTITUTO DE INVESTIGACIONES EN MATERIALES   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

EXPERIMENTAL DATUM; HYDROCARBON CHAINS; LIQUID-VAPOR INTERFACE; LIQUID/VAPOR INTERFACES; STRUCTURAL BEHAVIORS; STRUCTURE OF MOLECULES; THERMODYNAMIC BEHAVIORS; VERY LOW TEMPERATURES;

MELTING POINT; MOLECULES; MONOLAYERS; PARAFFINS; SURFACE TENSION; THERMODYNAMICS;

COMPUTER SIMULATION;

EID: 84876153385     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4798346     Document Type: Article

References (40)

1. P. Penfold, Rep. Prog. Phys. 64, 777-814 (2001). 10.1088/0034-4885/64/7/ 201
2. P. Lang, J. Phys.: Condens. Matter. 16, R699 (2004). 10.1088/0953-8984/ 16/23/R02
3. L. F. Vega and F. J. Blas, Fluid Phase Equilib. 171, 91-104 (2000). 10.1016/S0378-3812(00)00356-3
4. S. Zhou and J. R. Solana, Chem. Rev. 109, 2829-2858 (2009). 10.1021/cr900094p
5. M. C. Dos Ramos and F. J. Blas, Mol. Phys. 105, 1319-1334 (2007). 10.1080/00268970701297575
6. E. A. Müller and A. Mejía, J. Phys. Chem. B 115, 12822-12834 (2011). 10.1021/jp203236q
7. J. G. Sampayo, F. J. Blas, E. de Miguel, E. A. Müller, and G. Jackson, J. Chem. Eng. Data 55, 4306-4314 (2010). 10.1021/je100450s
8. F. N. Mendoza, R. Lopez-Rendon, J. Lopez-Lemus, J. Cruz, and J. Alejandre, Mol. Phys. 106, 1055-1059 (2008). 10.1080/00268970802119694
9. J. Lopez-Lemus, M. Romero-Bastida, T. A. Darden, and J. Alejandre, Mol. Phys. 104, 2413-2421 (2006). 10.1080/00268970600691274
10. M. A. Amat and G. C. Rutledge, J. Chem. Phys. 132, 114704-9 (2010). 10.1063/1.3356219
11. A. E. Ismail, M. Tsige, P. J. I. T. Veld, and G. S. Grest, Mol. Phys. 105, 3155-3163 (2007). 10.1080/00268970701779663
12. J. C. Earnshaw and C. J. Hughes, Phys. Rev. A 46, R4494-R4496 (1992). 10.1103/PhysRevA.46.R4494
13. G. Sefler, Q. Du, P. Miranda, and Y. Shen, Chem. Phys. Lett. 235, 347-354 (1995). 10.1016/0009-2614(95)00147-V
14. X. Z. Wu, E. B. Sirota, S. K. Sinha, B. M. Ocko, and M. Deutsch, Phys. Rev. Lett. 70, 958-961 (1993). 10.1103/PhysRevLett.70.958
15. J. C. Pamies and L. F. Vega, Ind. Eng. Chem. Res. 40, 2532-2543 (2001). 10.1021/ie000944x
16. C. McCabe and G. Jackson, Phys. Chem. Chem. Phys. 1, 2057-2064 (1999). 10.1039/a808085b
17. S. B. Kiselev and J. F. Ely, Ind. Eng. Chem. Res. 38, 4993-5004 (1999). 10.1021/ie990387i
18. S. K. Nath, F. A. Escobedo, and J. J. de Pablo, J. Chem. Phys. 108, 9905-9911 (1998). 10.1063/1.476429
19. A. J. M. Yang, P. D. Flemming, and J. H. Gibbs, J. Chem. Phys. 64, 3732-3747 (1976). 10.1063/1.432687
20. G. J. Gloor, G. Jackson, F. J. Blas, and E. de Miguel, J. Chem. Phys. 123, 134703-19 (2005). 10.1063/1.2038827
21. J. G. Kirkwood and F. P. Buff, J. Chem. Phys. 17, 338-343 (1949). 10.1063/1.1747248
22. M. G. Martin and J. I. Siepmann, J. Phys. Chem. B 102, 2569-2577 (1998). 10.1021/jp972543+
23. J. P. Nicolas and B. Smit, Mol. Phys. 100, 2471-2475 (2002). 10.1080/00268970210130182
24. W. L. Jorgensen and J. Tirado-Rives, J. Am. Chem. Soc. 110, 1657-1666 (1988). 10.1021/ja00214a001
25. W. L. Jorgensen, J. D. Madura, and C. J. Swenson, J. Am. Chem. Soc. 106, 6638-6646 (1984). 10.1021/ja00334a030
26. P. van der Ploeg and H. J. C. Berendsen, J. Chem. Phys. 76, 3271-3276 (1982). 10.1063/1.443321
27. H. Z. Li and T. Yamamoto, J. Chem. Phys. 114, 5774-5780 (2001). 10.1063/1.1351162
28. T. Shimizu and T. Yamamoto, J. Chem. Phys. 113, 3351-3359 (2000). 10.1063/1.1287062
29. P. Smith, R. M. Lynden-Bell, J. C. Earnshaw, and W. Smith, Mol. Phys. 96, 249-257 (1999). 10.1080/00268979909482957
30. F. A. Momany, R. F. McGuire, A. W. Burgess, and H. A. Scheraga, J. Phys. Chem. 79, 2361-2381 (1975). 10.1021/j100589a006
31. W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, and P. A. Kollman, J. Am. Chem. Soc. 117, 5179-5197 (1995). 10.1021/ja00124a002
32. J. S. Rowlinson and B. Widom, Molecular Theory of Capillarity (Dover Publications, 2002).
33. B. Hess, C. Kutzner, D. van der Spoel, and E. Lindahl, J. Chem. Theory Comput. 4, 435-447 (2008). 10.1021/ct700301q
34. P. J. Linstrom and P. J. Mallard, NIST Chemistry WebBook, NIST Standard Reference Database, NIST Standard Reference Database No. 69 (National Institute of Standards and Technology, 2013).
35. Y. Tsuchiya, H. Hasegawa, and T. Iwatsubo, J. Chem. Phys. 114, 2484-2488 (2001). 10.1063/1.1338508
36. See supplementary material at http://dx.doi.org/10.1063/1.4798346 E-JCPSA6-138-043313 for graphs of butane, pentane, heptane, and nonane alkane systems.
37. D. Duque and L. F. Vega, J. Chem. Phys. 121, 8611-8617 (2004). 10.1063/1.1802672
38. A. Trokhymchuk and J. Alejandre, J. Chem. Phys. 111, 8510-8523 (1999). 10.1063/1.480192
39. F. J. Blas, L. G. MacDowell, E. de Miguel, and G. Jackson, J. Chem. Phys. 129, 144703-9 (2008). 10.1063/1.2989115
40. J. J. Jasper and E. V. Kring, J. Phys. Chem. 59, 1019-1021 (1955). 10.1021/j150532a006