Separating the effects of repulsive and attractive forces on the phase diagram, interfacial, and critical properties of simple fluids

Journal of Chemical Physics

Volumn 144, Issue 21, 2016, Pages

  Fuentes Herrera, M ^a   Moreno Razo, J A ^b   Guzman O ^b   Lopez Lemus J ^a   Ibarra Tandi, B ^a  

^a UNIVERSIDAD AUTÓNOMA DEL ESTADO DE MÉXICO   (Mexico)

^b DEPARTAMENTO DE QUÍMICA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR STRUCTURE; PHASE DIAGRAMS; THERMODYNAMIC PROPERTIES;

ATTRACTIVE FORCE; CRITICAL PROPERTIES; INTERFACIAL PROPERTY; INTERMOLECULAR POTENTIALS; LINEAR CORRELATION; MOLECULAR SIMULATIONS; PHASE CO-EXISTENCE; REPULSIVE FORCES;

MORSE POTENTIAL;

EID: 84973299796     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4953002     Document Type: Article

References (39)

1. H. N. V. Temperley and D. H. Trevena, Liquids and their Properties (John Wiley & Sons, 1978).
2. J. Lennard-Jones, Proc. R. Soc. A 106, 463 (1924). 10.1098/rspa.1924.0082
3. J. G. Gay and B. J. Berne, J. Chem. Phys 74, 3316 (1981). 10.1063/1.441483
4. R. A. Aziz and M. J. Slaman, Mol. Phys. 58, 679 (1986). 10.1080/00268978600101501
5. R. A. Aziz and M. J. Slaman, J. Chem. Phys. 92, 1030 (1990). 10.1063/1.458165
6. A. E. Nasraba, D. R. Laghaei, and U. K. Deiters, J. Chem. Phys. 121, 6423 (2004). 10.1063/1.1783271
7. J. D. van der Waals, On the Continuity of the Gaseous and Liquid States (Courier Corporation, 2004).
8. S. Toxvaerd, Condens. Matter Phys. 18, 13002 (2015). 10.5488/CMP.18.13002
9. D. Plačkov and R. J. Sadus, Fluid Phase Equilib. 134, 77 (1997). 10.1016/S0378-3812(97)00047-2
10. H. Meyer, O. Biermann, R. Faller, D. Reith, and F. Müller-Plathe, J. Chem. Phys. 113, 6264 (2000). 10.1063/1.1308542
11. H. Okumura and F. Yonezawa, J. Chem. Phys. 113, 9162 (2000). 10.1063/1.1320828
12. I. Charpentier and N. Jakse, J. Chem. Phys. 123, 204910 (2005). 10.1063/1.2117010
13. K. Kiyohara, Mol. Phys. 89, 965 (1996). 10.1080/00268979609482517
14. D. Heyes and J. Powles, Mol. Phys. 95, 259 (1998). 10.1080/00268979809483158
15. D. Heyes, G. Rickayzen, and A. Brańka, Mol. Phys. 102, 2057 (2004). 10.1080/00268970412331292830
16. A. Ahmed and R. J. Sadus, J. Chem. Phys. 131, 174504 (2009). 10.1063/1.3253686
17. A. Martínez-Valencia, M. González-Melchor, P. Orea, and J. López-Lemus, Mol. Sim. 39, 64 (2013). 10.1080/08927022.2012.702422
18. B. Ibarra-Tandi, A. Lira, and J. López-Lemus, J. Mol. Liq. 185, 62 (2013). 10.1016/j.molliq.2012.12.004
19. F. del Río, J. E. Ramos, and I. A. McLure, Phys. Chem. Chem. Phys. 1, 4937 (1999). 10.1039/a905777c
20. J. E. Ramos, F. del Río, and I. A. McLure, Phys. Chem. Chem. Phys. 2, 2731 (2000). 10.1039/a909518g
21. J. Vrabec, J. Stoll, and H. Hasse, J. Phys. Chem. B 105, 12126 (2001). 10.1021/jp012542o
22. J. O. Sindt and P. J. Camp, J. Chem. Phys. 143, 024501 (2015). 10.1063/1.4923300
23. G. A. Chapela, G. Saville, S. M. Thompson, and J. S. Rowlinson, J. Chem. Soc. Faraday Trans. 2 73, 1133 (1977). 10.1039/F29777301133
24. G. A. Méndez-Maldonado, G. A. Chapela, J. A. Martínez-González, J. A. Moreno-Razo, E. Díaz-Herrera, and J. Alejandre, J. Chem. Phys. 142, 054501 (2015). 10.1063/1.4906424
25. A. Trokhymchuk and J. Alejandre, J. Chem. Phys. 111, 8510 (1999). 10.1063/1.480192
26. J. J. Potoff and A. Z. Panagiotopoulos, J. Chem. Phys. 109, 10914 (1998). 10.1063/1.477787
27. B. Smit, J. Chem. Phys. 96, 8639 (1992). 10.1063/1.462271
28. D. Frenkel and B. Smit, Understanding Molecular Simulation (Academic Press, London, 2002).
29. M. P. Allen and D. J. Tldesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 2003).
30. J. S. Rowilson and B. Widom, Molecular Theory of Capillarity (Dover, Oxford, 1982).
31. I. Benjamin, Chem. Rev. 96, 1449 (1996). 10.1021/cr950230+
32. F. Wegner, Phys. Rev. B 5, 4529 (1972). 10.1103/PhysRevB.5.4529
33. F. del Río, E. Díaz-Herrera, E. Ávalos, and J. Alejandre, J. Chem. Phys. 122, 034504 (2005). 10.1063/1.1831272
34. J. E. Ramos, F. del Río, and I. A. McLure, Phys. Chem. Chem. Phys. 3, 2634 (2001). 10.1039/b103003p
35. J. E. Ramos, Ph.D. thesis, Universidad Autónoma Metropolitana Iztapalapa, Mexico, 2002.
36. F. del Río, I. A. McLure, J. Chávez, J. E. Ramos, and E. Ávalos, Mol. Phys. 104, 3757 (2006). 10.1080/00268970601086722
37. I. A. McLure, J. E. Ramos, and F. del Río, J. Phys. Chem. B 103, 7019 (1999). 10.1021/jp991526c
38. F. del Río, B. Ibarra, and L. Mier y Terán, Mol. Phys. 101, 2997 (2003). 10.1080/00268970310001605732
39. O. Guzmán and F. del Río, J. Phys. B: At., Mol. Opt. Phys. 40, 3989 (2007). 10.1088/0953-4075/40/20/002