References
- C.T. White and J.W. Mintmire, J. Phys. Chem. B 109, 52 (2005).
- D. Rende, L. Ozgur, N. Baysal, and R. Ozisik, J. Comput. Theor. Nanosci. 9, 1658 (2012).
- D.W. Bruce, D. O’Hare, and R.I. Walton, Porous Materials (Wiley, New York, 2011).
- M. Cinke, J. Li, C.W. Bauschlicher, A. Ricca, and M. Meyyappan, Chem. Phys. Lett. 376, 761 (2003).
- A.I. Skoulidas, D.M. Ackerman, J.K. Johnson, and D.S. Sholl, Phys. Rev. Lett. 89, 185901 (2002).
- V. Sokhan, D. Nicholson, and N. Quirke, J. Chem. Phys. 120, 3855 (2004).
- A.I. Skoulidas, D.S. Sholl, and J.K. Johnson, J. Chem. Phys. 124, 054708 (2006).
- Y. Sun, Q. Xue, Y. Zhou, and L. Zhou, J. Colloid Interface Sci. 322, 22 (2008).
- P. Billemont, B. Coasne, and G. De Weireld, Langmuir 29, 3328 (2013).
- F. Brandani and D.M. Ruthven, Ind. Eng. Chem. Res. 43, 8339 (2004).
- A.O. Yazaydin, A.I. Benin, S.A. Faheem, P. Jakubczak, J.J. Low, R.R. Willis, and R.Q. Snurr, Chem. Mater. 21, 1425 (2009).
- J. Liu, Y. Wang, A.I. Benin, P. Jakubczak, R.R. Willis, and M.D. LeVan, Langmuir 26, 14301 (2010).
- F. Su, C. Lu, W. Cnen, H. Bai, and J.F. Hwang, Sci. Total Environ. 407, 3017 (2009).
- L. Liu and S. K. Bhatia, J. Phys. Chem. C 117, 13479 (2013).
- T.X. Nguyen and S.K. Bhatia, J. Phys. Chem. C 116, 3667 (2012).
- P. Billemont, B. Coasne, and G. De Weireld, Langmuir 27, 1015 (2011).
- S. Day, R. Sakurovs, and S. Weir, Int. J. Coal Geol. 74, 203 (2008).
- T.X. Nguyen and S.K. Bhatia, J. Phys. Chem. C 115, 16606 (2011).
- J. Hoshen and R. Kopelman, Phys. Rev. B 14, 3438 (1976).
- Q. Chen, J.D. Moore, Y.-C. Liu, T.J. Roussel, Q. Wang, T. Wu, and K.E. Gubbins, J. Chem. Phys. 133, 094501 (2010).
- J.D. Moore, J.C. Palmer, Y.-C. Liu, T.J. Roussel, J.K. Brennan, and K.E. Gubbins, Appl. Surf. Sci. 256, 5131 (2010).
- L.D. Gelb, K.E. Gubbins, R. Radhakrishnan, and M. Śliwinska-Bartkowiak, Rep. Prog. Phys. 62, 1573 (1999).
- K.E. Gubbins, Y.-C. Liu, J.D. Moore, and J.C. Palmer, Phys. Chem. Chem. Phys. 13, 58 (2011).
- M. Lísal, M. Předota, and J.K. Brennan, Mol. Simul. 39, 1103 (2013).
- J.G. Harris and K.H. Yung, J. Phys. Chem. 99, 12021 (1995).
- H.J.C. Berendsen, J.R. Grigera, and T.P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
- M. Bienfait, P. Zeppenfeld, N. Dupont-Pavlovsky, M. Muris, M. Johnson, T. Wilson, M. DePies, and O. Vilches, Phys. Rev. B 70, 035410 (2004).
- L. Chen and J.K. Johnson, Phys. Rev. Lett. 94, 125701 (2005).
- P. Mark and L. Nilsson, J. Phys. Chem. A 105, 9954 (2001).
- C.M. Colina, C.G. Olivera-Fuentes, F.R. Siperstein, M. Lísal, and K.E. Gubbins, Mol. Simul. 29, 405 (2003).
- C.T. White, D.H. Robertson, and J.W. Mintmire, Phys. Rev. B 47, 5485 (1993).
- M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1987).
- W. Smith and T.R. Forester, J. Mol. Graph. 14, 136 (1996).
- P.-A. Cazade, P. Bordat, I. Baraille, R. Brown, W. Smith, and I.T. Todorov, Mol. Simul. 37, 43 (2011).
- S. Nosé, Mol. Phys. 52, 255 (1984).
- W.G. Hoover, Phys. Rev. A 31, 695 (1985).
- T. Miller, M. Eleftheriou, P. Pattnaik, A. Ndirango, D. Newns, and G. Martyna, J. Chem. Phys. 116, 8649 (2002).
- D. Wolf, P. Keblinski, S.R. Phillpot, and J. Eggebrecht, J. Chem. Phys. 110, 8255 (1999).
- L.L. Huang, L.Z. Zhang, Q. Shao, J. Wang, L.H. Lu, X.H. Lu, S.Y. Jiang, and W.F. Shen, J. Phys. Chem. B 110, 25761 (2006).
- J. Martí, J. Chem. Phys. 110, 6876 (1999).
- M.C. Gordillo and J. Martí, Chem. Phys. Lett. 329, 341 (2000).
- A. Barati Farimani and N.R. Aluru, J. Phys. Chem. B 115, 12145 (2011).
- C. Cadena, Q. Zhao, R.Q. Snurr, and E.J. Maginn, J. Phys. Chem. B 110, 2832 (2006).
- A.M. Lacasta, J.M. Sancho, A.H. Romero, I.M. Sokolov, and K. Lindenberg, Phys. Rev. E 70, 051104 (2004).
- P. Gallo and M. Rovere, J. Phys.: Condens. Matter 15, 7625 (2003).
- J.L. Rivera, C. McCabe, and P.T. Cummings, Nano Lett. 2, 1427 (2002).
- A. Striolo, A.A. Chialvo, K.E. Gubbins, and P.T. Cummings, J. Chem. Phys. 122, 234712 (2005).