References
- A.M.M. Leal, D.A. Kulik, W.R. Smith and M.O. Saar, Pure & Appl. Chem. 89 (5), 597–643 (2017). doi: 10.1515/pac-2016-1107
- E.J. Maginn and J.R. Elliott, Ind. & Eng. Chem. Res. 49, 3059 (2010). doi: 10.1021/ie901898k
- D.N. Theodorou, Ind. & Eng. Chem. Res. 49, 3047 (2010). doi: 10.1021/ie9019006
- W.R. Smith and R.W. Missen, in Chemical Reaction Equilibrium Analysis: Theory and Algorithms (Krieger Publishing Co.; Reprint of same title, Willey-Interscience, 1982, Malabar, FL, 1991).
- W.R. Smith and B. Tríska, J. Chem. Phys. 100 (4), 3019 (1994). doi: 10.1063/1.466443
- K.J. Johnson, A.Z. Panagiotopoulos and K.E. Gubbins, Molec. Phys. 81 (3), 717 (1994). doi: 10.1080/00268979400100481
- C.H. Turner, J.K. Brennan, M. Lísal, W.R. Smith, J. Karl Johnson and K.E. Gubbins, Molec. Simulation 34 (2), 119 (2008). doi: 10.1080/08927020801986564
- J.K. Brennan, Molec. Phys. 103 (19), 2647 (2005). doi: 10.1080/00268970500181004
- N. Hansen, S. Jakobtorweihen and F.J. Keil, J. Chem. Phys. 122 (16), 164705 (2005). doi: 10.1063/1.1884108
- S. Jakobtorweihen, N. Hansen and F.J. Keil, J. Chem. Phys. 125 (22), 224709 (2006). doi: 10.1063/1.2404658
- C.H. Turner, J.K. Brennan and M. Lisal, J. Phys. Chem. C 111, 15706 (2007). doi: 10.1021/jp072655t
- A. Poursaeidesfahani, R. Hens, A. Rahbari, M. Ramdin, D. Dubbeldam and T.J.H. Vlugt, J. Chem. Theory. Comput. 13, 4452 (2017). doi: 10.1021/acs.jctc.7b00092
- M.S. Shaw, J. Chem. Phys. 94 (11), 7550 (1991). doi: 10.1063/1.460188
- Y. Han, D. Jiang, J. Zhang, W. Li, Z. Gan and J. Gu, Front. Chem. Sci. Eng. 10 (1), 16 (2016). doi: 10.1007/s11705-015-1545-z
- T.P. Senftle, S. Hong, M.M. Islam, S.B. Kylasa, Y. Zheng, Y.K. Shin, C. Junkermeier, R. Engel-Herbert, M.J. Janik, H.M. Aktulga, T. Verstraelen, A. Grama and A.C.T. van Duin, NPJ Comput. Mater. 2 (1), 9396 (2016). doi: 10.1038/npjcompumats.2015.11
- T.T.B. Le, A. Striolo, and D.R. Cole, Molec. Simulation 44 (10), 826–839 (2018). doi: 10.1080/08927022.2018.1455005
- E.O. Fetisov, I.F. Kuo, C. Knight, J. VandeVondele, T. Van Voorhis and J.I. Siepmann, ACS Central Sci. 2 (6), 409 (2016). doi: 10.1021/acscentsci.6b00095
- E.A. Ustinov and D.D. Do, J. Colloid & Interface Sci. 366, 216 (2012). doi: 10.1016/j.jcis.2011.09.074
- E.A. Ustinov and D.D. Do, Phys. Chem. Chem. Phys. 14, 11112 (2012). doi: 10.1039/c2cp41235g
- E.A. Ustinov and D.D. Do, Langmuir 28, 9543 (2012). doi: 10.1021/la301328x
- E.A. Ustinov and D.D. Do, J. Chem. Phys. 136, 134702 (2012). doi: 10.1063/1.3698194
- C. Fan, D.D. Do, D. Nicholson and E. Ustinov, Molec. Phys. 112 (1), 60 (2013). doi: 10.1080/00268976.2013.798696
- V.T. Nguyen, S.J. Tan, D.D. Do and D. Nicholson, Molec. Simulation 42 (8), 642 (2015). doi: 10.1080/08927022.2015.1067809
- S. Tan, D.D. Do and D. Nicholson, Molec. Phys. 114 (2), 186 (2016). doi: 10.1080/00268976.2015.1090634
- S. Tan, D.D. Do and D. Nicholson, Molec. Simulation 42 (12), 993 (2016). doi: 10.1080/08927022.2015.1136824
- S.J. Tan, D.D. Do and D. Nicholson, Molec. Simulation 43 (2), 76 (2016). doi: 10.1080/08927022.2016.1233548
- S.J. Tan, L. Prasetyo, Y. Zeng, D.D. Do and D. Nicholson, Chem. Eng. J. 316, 243 (2017). doi: 10.1016/j.cej.2017.01.079
- E.A. Ustinov, J. Chem. Phys. 146 (3), 034110 (2017). doi: 10.1063/1.4974141
- M.W. Chase, Jr. J. Phys. Chem. Ref. Data, Monograph #9, Am. Chem. Society and Am. Physical Society (1998).
- W.R. Smith and W. Qi, ACS Cent. Sci. (in press) (2018).
- J.K. Shah, E. Marin-Rimoldi, R.G. Mullen, B.P. Keene, S. Khan, A.S. Paluch, N. Rai, L.L. Romanielo, T.W. Rosch, B. Yoo and E.J. Maginn, J. Comput. Chem. 38 (19), 1727 (2017). doi: 10.1002/jcc.24807
- J. Kolafa and I. Nezbeda, J. Chem. Phys. 100, 1 (1994). doi: 10.1063/1.466980