SCOPUS 정보 검색 플랫폼

Molecular Physics

Volumn 112, Issue 17, 2014, Pages 2258-2274

Influence of combining rules on the cavity occupancy of clathrate hydrates by Monte Carlo simulations

(4) Papadimitriou, Nikolaos I a Tsimpanogiannis, Ioannis N a,b Economou, Ioannis G b Stubos, Athanassios K a

a INSTITUTE OF NANOSCIENCE AND NANOTECHNOLOGY (Greece)

b TEXAS A AND M UNIVERSITY AT QATAR (Qatar)

Author keywords

argon hydrate; cavity occupancy; clathrate hydrate; combining rules; Grand Canonical Monte Carlo; parametric study

Indexed keywords

COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; GAS ADSORPTION; HYDRATION; MONTE CARLO METHODS; POROUS MATERIALS; VAN DER WAALS FORCES;

CAVITY OCCUPANCY; CLATHRATE HYDRATE; COMBINING RULES; GRAND CANONICAL MONTE CARLO; PARAMETRIC STUDY;

GAS HYDRATES;

EID: 84906946781 PISSN: 00268976 EISSN: 13623028 Source Type: Journal
DOI: 10.1080/00268976.2014.902136 Document Type: Article

Times cited : (35)

References (103)

1
- 42649141072
- CRC Press, Boca Raton, FL
- E.D. Sloan and C.A. Koh, Clathrate Hydrates of Natural Gases, 3rd ed. (CRC Press, Boca Raton, FL, 2008).
- (2008) Clathrate Hydrates of Natural Gases, 3rd Ed
- Sloan, E.D.¹ Koh, C.A.²

2
- 0344443175
- E.D. Sloan, Nature 426, 353 (2003).
- (2003) Nature , vol.426 , pp. 353
- Sloan, E.D.¹

3
- 0036246965
- C.A. Koh, Chem. Soc. Rev. 31, 157 (2002).
- (2002) Chem. Soc. Rev. , vol.31 , pp. 157
- Koh, C.A.¹

4
- 84947414661
- E.G. Hammerschmidt, Ind. Eng. Chem. 26, 851 (1934).
- (1934) Ind. Eng. Chem. , vol.26 , pp. 851
- Hammerschmidt, E.G.¹

5
- 0141674779
- S. Thomas and R.A. Dawe, Energy 28, 1461 (2003).
- (2003) Energy , vol.28 , pp. 1461
- Thomas, S.¹ Dawe, R.A.²

6
- 18544387932
- W.L. Mao, H.K. Mao, A.F. Goncharov, V.V. Struzhkin, Q. Guo, J. Hu, J. Shu, R.J. Hemley, M. Somayazulu and Y. Zhao, Science 297, 2247 (2002).
- (2002) Science , vol.297 , pp. 2247
- Mao, W.L.¹ Mao, H.K.² Goncharov, A.F.³ Struzhkin, V.V.⁴ Guo, Q.⁵ Hu, J.⁶ Shu, J.⁷ Hemley, R.J.⁸ Somayazulu, M.⁹ Zhao, Y.¹⁰

7
- 5644293043
- L.J. Florusse, C.J. Peters, J. Schoonman, K.C. Hester, C.A. Koh, S.F. Dec, K.N. Marsh and E.D. Sloan, Science 306, 469 (2004).
- (2004) Science , vol.306 , pp. 469
- Florusse, L.J.¹ Peters, C.J.² Schoonman, J.³ Hester, K.C.⁴ Koh, C.A.⁵ Dec, S.F.⁶ Marsh, K.N.⁷ Sloan, E.D.⁸

8
- 0033532379
- P.G. Brewer, G. Friederich, E.T. Peltzer and F.M. Orr Jr, Science 284, 943 (1999).
- (1999) Science , vol.284 , pp. 943
- Brewer, P.G.¹ Friederich, G.² Peltzer, E.T.³ Orr, Jr.F.M.⁴

9
- 79952339912
- R. Boswell and T.S. Collett, Energy Environ. Sci. 4, 1206 (2010).
- (2010) Energy Environ. Sci. , vol.4 , pp. 1206
- Boswell, R.¹ Collett, T.S.²

10
- 77952110703
- N. Kukowski, J. Greinert and S. Henrys, Mar. Geol. 272, 141 (2010).
- (2010) Mar. Geol. , vol.272 , pp. 141
- Kukowski, N.¹ Greinert, J.² Henrys, S.³

11
- 77953004229
- M. Maslin, M. Owen, R. Betts, S. Day, T.D. Jones and A. Ridgwell, Phil. Trans. R. Soc. A 368, 2369 (2010).
- (2010) Phil. Trans. R. Soc. A , vol.368 , pp. 2369
- Maslin, M.¹ Owen, M.² Betts, R.³ Day, S.⁴ Jones, T.D.⁵ Ridgwell, A.⁶

12
- 0004279093
- Society of Petroleum Engineers, Richardson, TX
- E.D. Sloan, Hydrate Engineering (Society of Petroleum Engineers, Richardson, TX, 2001).
- (2001) Hydrate Engineering
- Sloan, E.D.¹

13
- 16844366527
- Y.T. Seo, I.L. Moudrakovski, J.A. Ripmeester, J.-W. Lee and H. Lee, Environ. Sci. Tech. 39, 2315 (2005).
- (2005) Environ. Sci. Tech. , vol.39 , pp. 2315
- Seo, Y.T.¹ Moudrakovski, I.L.² Ripmeester, J.A.³ Lee, J.-W.⁴ Lee, H.⁵

14
- 72449175919
- N. Dabrowski, C. Windmeir and L.R. Oellrich, Energy Fuels 23, 5603 (2009).
- (2009) Energy Fuels , vol.23 , pp. 5603
- Dabrowski, N.¹ Windmeir, C.² Oellrich, L.R.³

15
- 0037402762
- J. Javanmardi and M. Moshfegian, Appl. Therm. Eng. 23, 845 (2003).
- (2003) Appl. Therm. Eng. , vol.23 , pp. 845
- Javanmardi, J.¹ Moshfegian, M.²

16
- 0031232433
- W.F. Kuhs, B. Chazallon, P.G. Radaelli and F. Pauer, J. Incl. Phenom. Mol. Recognit. Chem. 29, 65 (1997).
- (1997) J. Incl. Phenom. Mol. Recognit. Chem. , vol.29 , pp. 65
- Kuhs, W.F.¹ Chazallon, B.² Radaelli, P.G.³ Pauer, F.⁴

17
- 0036640007
- B. Chazallon and W.F. Kuhs, J. Chem. Phys. 117, 308 (2002).
- (2002) J. Chem. Phys. , vol.117 , pp. 308
- Chazallon, B.¹ Kuhs, W.F.²

18
- 0038176560
- S. Sasaki, S. Hori, T. Kume and H. Shimizu, J. Chem. Phys. 118, 7892 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 7892
- Sasaki, S.¹ Hori, S.² Kume, T.³ Shimizu, H.⁴

19
- 0037206808
- H. Hirai, Y. Uchihara, Y. Nishimura, T. Kawamura, Y. Yamamoto and T. Yagi, J. Phys. Chem. B 106, 11089 (2002).
- (2002) J. Phys. Chem. B , vol.106 , pp. 11089
- Hirai, H.¹ Uchihara, Y.² Nishimura, Y.³ Kawamura, T.⁴ Yamamoto, Y.⁵ Yagi, T.⁶

20
- 33644772851
- A.G. Ogienko, A.V. Kurnosov, A.Y. Manakov, E.G. Larionov, A.I. Ancharov, M.A. Sheromov and A.N. Nesterov, J. Phys. Chem. B 110, 2840 (2006)
- (2006) J. Phys. Chem. B , vol.110 , pp. 2840
- Ogienko, A.G.¹ Kurnosov, A.V.² Manakov, A.Y.³ Larionov, E.G.⁴ Ancharov, A.I.⁵ Sheromov, M.A.⁶ Nesterov, A.N.⁷

21
- 33745675919
- A.G. Ogienko, A.Y. Manakov, A.V. Kurnosov, E.V. Grachev and E.V. Larionov, J. Struct. Chem. 115, S65 (2005).
- (2005) J. Struct. Chem. , vol.115
- Ogienko, A.G.¹ Manakov, A.Y.² Kurnosov, A.V.³ Grachev, E.V.⁴ Larionov, E.V.⁵

22
- 67650082840
- A.Yu. Manakov, Yu.A. Dyadin, A.G. Ogienko, A.V. Kurnosov, E.Ya. Aladko, E.G. Larionov, F.V. Zhurko, V.I. Voronin, I.F. Berger, S.V. Goryainov, A.Yu. Lihacheva and A.I. Ancharov, J. Phys. Chem. B 113, 7257 (2009).
- (2009) J. Phys. Chem. B , vol.113 , pp. 7257
- Manakov, A.Yu.¹ Dyadin, Yu.A.² Ogienko, A.G.³ Kurnosov, A.V.⁴ Aladko, E.Ya.⁵ Larionov, E.G.⁶ Zhurko, F.V.⁷ Voronin, V.I.⁸ Berger, I.F.⁹ Goryainov, S.V.¹⁰ Lihacheva, A.Yu.¹¹ Ancharov, A.I.¹²

23
- 77957734643
- H. Hirai, K. Komatsu, M. Honda, T. Kawamura, Y. Yamamoto and T. Yagi, J. Chem. Phys. 133, 124511 (2010).
- (2010) J. Chem. Phys. , vol.133 , pp. 124511
- Hirai, H.¹ Komatsu, K.² Honda, M.³ Kawamura, T.⁴ Yamamoto, Y.⁵ Yagi, T.⁶

24
- 19644380351
- K.A. Lokshin, Y. Zhao, D. He, W.L. Mao, H.-K. Mao, R.J. Hemley, M.V. Lobanov and M. Greenblatt, Phys. Rev. Lett. 93, 125503 (2004).
- (2004) Phys. Rev. Lett. , vol.93 , pp. 125503
- Lokshin, K.A.¹ Zhao, Y.² He, D.³ Mao, W.L.⁴ Mao, H.-K.⁵ Hemley, R.J.⁶ Lobanov, M.V.⁷ Greenblatt, M.⁸

25
- 0035935941
- H. Itoh, J.S. Tse and K. Kawamura, J. Chem. Phys. 115, 9414 (2001).
- (2001) J. Chem. Phys. , vol.115 , pp. 9414
- Itoh, H.¹ Tse, J.S.² Kawamura, K.³

26
- 0035309879
- E.P. Van Klaveren, J.P.J. Michels, J.A. Schouten, D.D. Klug and J.S. Tse, J. Chem. Phys. 114, 5745 (2001).
- (2001) J. Chem. Phys. , vol.114 , pp. 5745
- Van Klaveren, E.P.¹ Michels, J.P.J.² Schouten, J.A.³ Klug, D.D.⁴ Tse, J.S.⁵

27
- 0035830231
- E.P. Van Klaveren, J.P.J. Michels, J.A. Schouten, D.D. Klug and J.S. Tse, J. Chem. Phys. 115, 10500 (2001).
- (2001) J. Chem. Phys. , vol.115 , pp. 10500
- Van Klaveren, E.P.¹ Michels, J.P.J.² Schouten, J.A.³ Klug, D.D.⁴ Tse, J.S.⁵

28
- 0037044517
- E.P. Van Klaveren, J.P.J. Michels, J.A. Schouten, D.D. Klug and J.S. Tse, J. Chem. Phys. 117, 6637 (2002).
- (2002) J. Chem. Phys. , vol.117 , pp. 6637
- Van Klaveren, E.P.¹ Michels, J.P.J.² Schouten, J.A.³ Klug, D.D.⁴ Tse, J.S.⁵

29
- 23444441772
- S. Alavi, J.A. Ripmeester and D.D. Klug, J. Chem. Phys. 123, 024507 (2005).
- (2005) J. Chem. Phys. , vol.123 , pp. 024507
- Alavi, S.¹ Ripmeester, J.A.² Klug, D.D.³

30
- 33748697466
- S. Alavi, J.A. Ripmeester and D.D. Klug, J. Chem. Phys. 125, 104501 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 104501
- Alavi, S.¹ Ripmeester, J.A.² Klug, D.D.³

31
- 33847704132
- S. Alavi and T.K. Woo, J. Chem. Phys. 126, 044703 (2007).
- (2007) J. Chem. Phys. , vol.126 , pp. 044703
- Alavi, S.¹ Woo, T.K.²

32
- 4944248663
- H. Tanaka, T. Nakatsuka and K. Koga, J. Chem. Phys, 121, 5488 (2004).
- (2004) J. Chem. Phys , vol.121 , pp. 5488
- Tanaka, H.¹ Nakatsuka, T.² Koga, K.³

33
- 56749163153
- N.I. Papadimitriou, I.N. Tsimpanogiannis, A.Th. Papaioannou and A.K. Stubos, Mol. Simul. 34, 1311 (2008).
- (2008) Mol. Simul. , vol.34 , pp. 1311
- Papadimitriou, N.I.¹ Tsimpanogiannis, I.N.² Papaioannou, A.Th.³ Stubos, A.K.⁴

34
- 34547590105
- K. Katsumasa, K. Koga and H. Tanaka, J. Chem. Phys. 127, 044509 (2007).
- (2007) J. Chem. Phys. , vol.127 , pp. 044509
- Katsumasa, K.¹ Koga, K.² Tanaka, H.³

35
- 48249128850
- N.I. Papadimitriou, I.N. Tsimpanogiannis, A.Th. Papaioannou and A.K. Stubos, J. Phys. Chem. C 112, 10294 (2008).
- (2008) J. Phys. Chem. C , vol.112 , pp. 10294
- Papadimitriou, N.I.¹ Tsimpanogiannis, I.N.² Papaioannou, A.Th.³ Stubos, A.K.⁴

36
- 57049185207
- N.I. Papadimitriou, I.N. Tsimpanogiannis, C.J. Peters, A.Th. Papaioannou and A.K. Stubos, J. Phys. Chem. B 112, 14206 (2008).
- (2008) J. Phys. Chem. B , vol.112 , pp. 14206
- Papadimitriou, N.I.¹ Tsimpanogiannis, I.N.² Peters, C.J.³ Papaioannou, A.Th.⁴ Stubos, A.K.⁵

37
- 72049083243
- T. Nakayama, K. Koga and H. Tanaka, J. Chem. Phys. 131, 214506 (2009).
- (2009) J. Chem. Phys. , vol.131 , pp. 214506
- Nakayama, T.¹ Koga, K.² Tanaka, H.³

38
- 77950147247
- N.I. Papadimitriou, I.N. Tsimpanogiannis, A.K. Stubos, A. Martin, L.J. Rovetto and C.J. Peters, J. Phys. Chem. Lett. 1, 1014 (2010).
- (2010) J. Phys. Chem. Lett. , vol.1 , pp. 1014
- Papadimitriou, N.I.¹ Tsimpanogiannis, I.N.² Stubos, A.K.³ Martin, A.⁴ Rovetto, L.J.⁵ Peters, C.J.⁶

39
- 79951525971
- N.I. Papadimitriou, I.N. Tsimpanogiannis, A.K. Stubos, A. Martin, L.J. Rovetto, L.J. Florusse and C.J. Peters, J. Phys. Chem. B 115, 1411 (2011).
- (2011) J. Phys. Chem. B , vol.115 , pp. 1411
- Papadimitriou, N.I.¹ Tsimpanogiannis, I.N.² Stubos, A.K.³ Martin, A.⁴ Rovetto, L.J.⁵ Florusse, L.J.⁶ Peters, C.J.⁷

40
- 0345166896
- S. Patchkovskii and J.S. Tse, Proc. Natl. Acad. Sci. USA 100, 14645 (2003).
- (2003) Proc. Natl. Acad. Sci. USA , vol.100 , pp. 14645
- Patchkovskii, S.¹ Tse, J.S.²

41
- 33644786246
- J.W. Lee, P. Yedlapalli and S. Lee, J. Phys. Chem. B 110, 2332 (2006).
- (2006) J. Phys. Chem. B , vol.110 , pp. 2332
- Lee, J.W.¹ Yedlapalli, P.² Lee, S.³

42
- 33846513553
- S. Lee, P. Yedlapalli and J.W. Lee, J. Phys. Chem. B 110, 26122 (2006).
- (2006) J. Phys. Chem. B , vol.110 , pp. 26122
- Lee, S.¹ Yedlapalli, P.² Lee, J.W.³

43
- 33645031825
- T.M. Inerbaev, V.R. Belosludov, R.V. Belosludov, M. Sluiter and Y. Kawazoe, Comp. Mater. Sci. 36, 229 (2006).
- (2006) Comp. Mater. Sci. , vol.36 , pp. 229
- Inerbaev, T.M.¹ Belosludov, V.R.² Belosludov, R.V.³ Sluiter, M.⁴ Kawazoe, Y.⁵

44
- 73649121977
- R.V. Belosludov, O.S. Subbotin, H. Mizuseki, Y. Kawazoe and V.R. Belosludov, J. Chem. Phys. 131, 244510 (2009).
- (2009) J. Chem. Phys. , vol.131 , pp. 244510
- Belosludov, R.V.¹ Subbotin, O.S.² Mizuseki, H.³ Kawazoe, Y.⁴ Belosludov, V.R.⁵

45
- 81455131033
- V.R. Belosludov, O.S. Subbotin, R.V. Belosludov, H. Mizuseki and Y. Kawazoe, Comp. Mater. Sci. 49, S187 (2010).
- (2010) Comp. Mater. Sci. , vol.49
- Belosludov, V.R.¹ Subbotin, O.S.² Belosludov, R.V.³ Mizuseki, H.⁴ Kawazoe, Y.⁵

46
- 0002888588
- J.H. Van der Waals and J.C. Platteeuw, Adv. Chem. Phys, 2, 1 (1959).
- (1959) Adv. Chem. Phys , vol.2 , pp. 1
- Waals Der Van, J.H.¹ Platteeuw, J.C.²

47
- 0015284822
- W.R. Parrish and J.M. Prausnitz, Ind. Eng. Chem. Proc. Des. Dev. 11, 26 (1972).
- (1972) Ind. Eng. Chem. Proc. Des. Dev. , vol.11 , pp. 26
- Parrish, W.R.¹ Prausnitz, J.M.²

48
- 0002797769
- V.T. John and G.D. Holder, J. Phys. Chem. 86, 455 (1982).
- (1982) J. Phys. Chem. , vol.86 , pp. 455
- John, V.T.¹ Holder, G.D.²

49
- 0000709526
- V.T. John and G.D. Holder, J. Phys. Chem. 89, 3279 (1985).
- (1985) J. Phys. Chem. , vol.89 , pp. 3279
- John, V.T.¹ Holder, G.D.²

50
- 0019045354
- G.D. Holder, G. Corbin and K.D. Papadopoulos, Ind. Eng. Chem. Fund. 19, 282 (1980).
- (1980) Ind. Eng. Chem. Fund. , vol.19 , pp. 282
- Holder, G.D.¹ Corbin, G.² Papadopoulos, K.D.³

51
- 0001683712
- V.T. John and G.D. Holder, J. Phys. Chem. 85, 1811 (1981).
- (1981) J. Phys. Chem. , vol.85 , pp. 1811
- John, V.T.¹ Holder, G.D.²

52
- 0034282722
- J.B. Klauda and S.I. Sandler, Ind. Eng. Chem. Res. 39, 3377 (2000).
- (2000) Ind. Eng. Chem. Res. , vol.39 , pp. 3377
- Klauda, J.B.¹ Sandler, S.I.²

53
- 3543116077
- T.M. Inerbaev, V.R. Belosludov, R.V. Belosludov, M. Sluiter, Y. Kawazoe and J.-I. Kudoh, J. Incl. Phenom. Macrocycl. Chem. 48, 55 (2004).
- (2004) J. Incl. Phenom. Macrocycl. Chem. , vol.48 , pp. 55
- Inerbaev, T.M.¹ Belosludov, V.R.² Belosludov, R.V.³ Sluiter, M.⁴ Kawazoe, Y.⁵ Kudoh, J.-I.⁶

54
- 3543082149
- A.Y. Manakov, V.I. Voronin, A.V. Kurnosov, A.E. Teplykh, V.Y. Komarov and Y.A. Dyadin, J. Incl. Phenom. Macrocycl. Chem. 48, 11 (2004).
- (2004) J. Incl. Phenom. Macrocycl. Chem. , vol.48 , pp. 11
- Manakov, A.Y.¹ Voronin, V.I.² Kurnosov, A.V.³ Teplykh, A.E.⁴ Komarov, V.Y.⁵ Dyadin, Y.A.⁶

55
- 32144435630
- V.R. Belosludov, O.S. Subbotin, D.S. Krupskii, O.V. Prokuda, R.V. Belosludov and Y. Kawazoe. J. Phys. Conf. Ser. 29, 1 (2006).
- (2006) J. Phys. Conf. Ser. , vol.29 , pp. 1
- Belosludov, V.R.¹ Subbotin, O.S.² Krupskii, D.S.³ Prokuda, O.V.⁴ Belosludov, R.V.⁵ Kawazoe, Y.⁶

56
- 72949089885
- O.S. Subbotin, T.P. Adamova, R.V. Belosludov, H. Mizuseki, Y. Kawazoe, J.-I. Kudoh, P.M. Rodger and V.R. Belosludov, J. Chem. Phys. 131, 114507 (2009).
- (2009) J. Chem. Phys. , vol.131 , pp. 114507
- Subbotin, O.S.¹ Adamova, T.P.² Belosludov, R.V.³ Mizuseki, H.⁴ Kawazoe, Y.⁵ Kudoh, J.-I.⁶ Rodger, P.M.⁷ Belosludov, V.R.⁸

57
- 66749085107
- A. Martín and C.J. Peters, J. Phys. Chem. B 113, 7548 (2009).
- (2009) J. Phys. Chem. B , vol.113 , pp. 7548
- Martín, A.¹ Peters, C.J.²

58
- 80455146220
- N.A. Nemov, O.S. Subbotin and V.R. Belosludov, Comp. Mater. Sci. 49, S256 (2010).
- (2010) Comp. Mater. Sci. , vol.49
- Nemov, N.A.¹ Subbotin, O.S.² Belosludov, V.R.³

59
- 79951960357
- A. Asiaee, S. Raeissi and A. Shariati, J. Chem. Thermodyn. 43, 822 (2011).
- (2011) J. Chem. Thermodyn. , vol.43 , pp. 822
- Asiaee, A.¹ Raeissi, S.² Shariati, A.³

60
- 84862571287
- I.N. Tsimpanogiannis, N.I. Papadimitriou and A.K. Stubos, Mol. Phys. 110, 1213 (2012).
- (2012) Mol. Phys. , vol.110 , pp. 1213
- Tsimpanogiannis, I.N.¹ Papadimitriou, N.I.² Stubos, A.K.³

61
- 84906949783
- in preparation
- N. Diamantonis, I.N. Tsimpanogiannis, I.G. Economou, N.I. Papadimitriou and A.K. Stubos, in preparation.
- Diamantonis, N.¹ Tsimpanogiannis, I.N.² Economou, I.G.³ Papadimitriou, N.I.⁴ Stubos, A.K.⁵

62
- 0003547273
- Prentice-Hall, NJ
- J.M. Prausnitz, R.N. Lichtenthaler and E.G. Avezedo, Molecular Thermodynamics of Fluid-Phase Equilibria (Prentice-Hall, NJ, 1998).
- (1998) Molecular Thermodynamics of Fluid-Phase Equilibria
- Prausnitz, J.M.¹ Lichtenthaler, R.N.² Avezedo, E.G.³

63
- 33947561965
- T.M. Reed III., J. Phys. Chem. 59, 425 (1959).
- (1959) J. Phys. Chem. , vol.59 , pp. 425
- Reed III, T.M.¹

64
- 37049057743
- G.H. Hudson and J.C. McCoubrey, Trans. Faraday Soc. 56, 761 (1960).
- (1960) Trans. Faraday Soc. , vol.56 , pp. 761
- Hudson, G.H.¹ McCoubrey, J.C.²

65
- 41149156289
- A.J. Haslam, A. Galindo and G. Jackson, Fluid Phase Equilib. 266, 105 (2008).
- (2008) Fluid Phase Equilib. , vol.266 , pp. 105
- Haslam, A.J.¹ Galindo, A.² Jackson, G.³

66
- 0035918343
- J. Delhommelle and P. Millie, Mol. Phys. 99, 619 (2001).
- (2001) Mol. Phys. , vol.99 , pp. 619
- Delhommelle, J.¹ Millie, P.²

67
- 18144407987
- J. Vrabec, J. Stoll and H. Hasse, Mol. Simul. 31, 215 (2005).
- (2005) Mol. Simul. , vol.31 , pp. 215
- Vrabec, J.¹ Stoll, J.² Hasse, H.³

68
- 59649112380
- M. Rouha and I. Nezbeda, Fluid Phase Equilib. 277, 42 (2009).
- (2009) Fluid Phase Equilib. , vol.277 , pp. 42
- Rouha, M.¹ Nezbeda, I.²

69
- 57049099748
- D. Boda and D. Henderson, Mol. Phys. 106, 2367 (2008).
- (2008) Mol. Phys. , vol.106 , pp. 2367
- Boda, D.¹ Henderson, D.²

70
- 34247624095
- T. Schnabel, J. Vrabec and H. Hasse, J. Mol. Liq. 135, 170 (2007).
- (2007) J. Mol. Liq. , vol.135 , pp. 170
- Schnabel, T.¹ Vrabec, J.² Hasse, H.³

71
- 79960126062
- L. Vlcek, A.A. Chialvo and D.R. Cole, J. Phys. Chem. B 115, 8775 (2011).
- (2011) J. Phys. Chem. B , vol.115 , pp. 8775
- Vlcek, L.¹ Chialvo, A.A.² Cole, D.R.³

72
- 33747593756
- H. Docherty, A. Galindo, C. Vega and E. Sanz, J. Chem. Phys. 125, 074510 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 074510
- Docherty, H.¹ Galindo, A.² Vega, C.³ Sanz, E.⁴

73
- 0011766959
- D.-M. Duh, D. Henderson and R.L. Rowley, Mol. Phys. 91, 1143 (1997).
- (1997) Mol. Phys. , vol.91 , pp. 1143
- Duh, D.-M.¹ Henderson, D.² Rowley, R.L.³

74
- 23344446773
- J.L.F. Abascal, E. Sanz, R.G. Fernandez and C. Vega, J. Chem. Phys. 122, 234511 (2005).
- (2005) J. Chem. Phys. , vol.122 , pp. 234511
- Abascal, J.L.F.¹ Sanz, E.² Fernandez, R.G.³ Vega, C.⁴

75
- 0003556247
- Wiley, New York ibid, Revised ed. (Wiley, New York, 1964)
- J.O. Hirschfelder, C.F. Curtiss and R.B. Bird, Molecular Theory of Gases and Liquids (Wiley, New York, 1954); ibid, Revised ed. (Wiley, New York, 1964).
- (1954) Molecular Theory of Gases and Liquids
- Hirschfelder, J.O.¹ Curtiss, C.F.² Bird, R.B.³

76
- 0000471396
- L.S. Tee, S. Gotoh and W.E. Stuart, Ind. Eng. Chem. Fund. 5, 356 (1966).
- (1966) Ind. Eng. Chem. Fund. , vol.5 , pp. 356
- Tee, L.S.¹ Gotoh, S.² Stuart, W.E.³

77
- 0002845060
- A.E. Sherwood and J.M. Prausnitz, J. Chem. Phys. 41, 429 (1964).
- (1964) J. Chem. Phys. , vol.41 , pp. 429
- Sherwood, A.E.¹ Prausnitz, J.M.²

78
- 0038561191
- H. Liu and E. Ruckenstein, Ind. Eng. Chem. Res. 36, 5488 (1997).
- (1997) Ind. Eng. Chem. Res. , vol.36 , pp. 5488
- Liu, H.¹ Ruckenstein, E.²

79
- 84906949784
- Sandia National Laboratory Report No. SAND86-8246B
- R.J. Kee, G. Dixon-Lewis, J. Warnatz, M.E. Coltrin and J.A. Miller, Sandia National Laboratory Report No. SAND86-8246B (1986).
- (1986)
- Kee, R.J.¹ Dixon-Lewis, G.² Warnatz, J.³ Coltrin, M.E.⁴ Miller, J.A.⁵

80
- 77956318870
- M.J. McGrath, J.N. Ghogomu, N.T. Tsona, J.I. Siepmann, B. Chen, I. Napari and H. Vehkamaki, J. Chem. Phys. 133, 084106 (2010).
- (2010) J. Chem. Phys. , vol.133 , pp. 084106
- McGrath, M.J.¹ Ghogomu, J.N.² Tsona, N.T.³ Siepmann, J.I.⁴ Chen, B.⁵ Napari, I.⁶ Vehkamaki, H.⁷

81
- 36749030400
- CRC Press Inc, New York
- R.D. Linde, CRC Handbook of Chemistry & Physics, 84th ed. (CRC Press Inc, New York, 2003).
- (2003) CRC Handbook of Chemistry & Physics, 84th Ed
- Linde, R.D.¹

82
- 0003451443
- Oxford University Press, New York
- M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1987).
- (1987) Computer Simulation of Liquids
- Allen, M.P.¹ Tildesley, D.J.²

83
- 5744249209
- N. Metropolis, A.W. Rosenbluth, M.N. Rosenbluth, A.H. Teller and E. Teller, J. Chem. Phys. 21, 1087 (1953).
- (1953) J. Chem. Phys. , vol.21 , pp. 1087
- Metropolis, N.¹ Rosenbluth, A.W.² Rosenbluth, M.N.³ Teller, A.H.⁴ Teller, E.⁵

84
- 0033128194
- Ch. Tegeler, R. Span and W. Wagner, J. Phys. Chem. Ref. Data 28, 779 (1999).
- (1999) J. Phys. Chem. Ref. Data , vol.28 , pp. 779
- Tegeler, Ch.¹ Span, R.² Wagner, W.³

85
- 77951862172
- L. Jensen, K. Thomsen, N. von Solms, S. Wierzchowski, M.R. Walsh, C.A. Koh, E.D. Sloan, D.T. Wu and A.K. Sum, J. Phys. Chem. B 114, 5775 (2010).
- (2010) J. Phys. Chem. B , vol.114 , pp. 5775
- Jensen, L.¹ Thomsen, K.² Von Solms, N.³ Wierzchowski, S.⁴ Walsh, M.R.⁵ Koh, C.A.⁶ Sloan, E.D.⁷ Wu, D.T.⁸ Sum, A.K.⁹

86
- 23044525723
- A.Yu. Manakov, V.I. Voronin, A.V. Kurnosov, A.E. Teplykh, E.G. Larionov and Yu.A. Dyadin, Doklady Phys. Chem. 378, 148 (2001).
- (2001) Doklady Phys. Chem. , vol.378 , pp. 148
- Manakov, A.Yu.¹ Voronin, V.I.² Kurnosov, A.V.³ Teplykh, A.E.⁴ Larionov, E.G.⁵ Dyadin, Yu.A.⁶

87
- 1642283097
- M. Yousuf, S.B. Quadri, D.L. Knies, K.S. Grabowski, R.B. Coffin and J.W. Pohlman, Appl. Phys. A 78, 925 (2004).
- (2004) Appl. Phys. A , vol.78 , pp. 925
- Yousuf, M.¹ Quadri, S.B.² Knies, D.L.³ Grabowski, K.S.⁴ Coffin, R.B.⁵ Pohlman, J.W.⁶

88
- 1242346370
- H.J.C. Berendsen, J.R. Grigera and T.P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
- (1987) J. Phys. Chem. , vol.91 , pp. 6269
- Berendsen, H.J.C.¹ Grigera, J.R.² Straatsma, T.P.³

89
- 0004016501
- W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey and M.L. Klein, J. Chem. Phys. 79, 926 (1983).
- (1983) J. Chem. Phys. , vol.79 , pp. 926
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.D.³ Impey, R.W.⁴ Klein, M.L.⁵

90
- 0001676814
- H. Tanaka, J. Chem. Phys. 98, 4098 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 4098
- Tanaka, H.¹

91
- 77955737997
- M.M. Conde and C. Vega, J. Chem. Phys. 133, 064507 (2010).
- (2010) J. Chem. Phys. , vol.133 , pp. 064507
- Conde, M.M.¹ Vega, C.²

92
- 84873634659
- M.M. Conde and C. Vega, J. Chem. Phys. 138, 056101 (2013).
- (2013) J. Chem. Phys. , vol.138 , pp. 056101
- Conde, M.M.¹ Vega, C.²

93
- 84906949785
- http://www.gromacs.org.

94
- 84984084868
- D.R. Marshall, S. Saito and R. Kobayashi, AIChE J. 10, 202 (1964).
- (1964) AIChE J. , vol.10 , pp. 202
- Marshall, D.R.¹ Saito, S.² Kobayashi, R.³

95
- 69049118590
- K. Sugahara, R. Kaneko, A. Sasatani, T. Sugahara and K. Ohgaki, The Open Thermodyn. J. 2, 95 (2008).
- (2008) The Open Thermodyn. J. , vol.2 , pp. 95
- Sugahara, K.¹ Kaneko, R.² Sasatani, A.³ Sugahara, T.⁴ Ohgaki, K.⁵

96
- 28044466957
- Y.A. Dyadin, E.G. Larionov, D.S. Mirinski, T.V. Mikina and L.I. Starostina, Mendeleev Commun. 7, 32 (1997).
- (1997) Mendeleev Commun. , vol.7 , pp. 32
- Dyadin, Y.A.¹ Larionov, E.G.² Mirinski, D.S.³ Mikina, T.V.⁴ Starostina, L.I.⁵

97
- 3543082149
- A. Yu. Manakov, V.I. Voronin, A.V. Kurnosov, A.E. Teplykh, V.Y. Komarov and Yu.A. Dyadin, J. Incl. Phenom. Macrocycl. Chem. 48, 11 (2004).
- (2004) J. Incl. Phenom. Macrocycl. Chem. , vol.48 , pp. 11
- Yu. Manakov, A.¹ Voronin, V.I.² Kurnosov, A.V.³ Teplykh, A.E.⁴ Komarov, V.Y.⁵ Dyadin, Yu.A.⁶

98
- 0042705664
- J.S. Loveday, R.J. Nelmes, D.D. Klug, J.S. Tse and S. Desgreniers, Can. J. Phys. 81, 539 (2003).
- (2003) Can. J. Phys. , vol.81 , pp. 539
- Loveday, J.S.¹ Nelmes, R.J.² Klug, D.D.³ Tse, J.S.⁴ Desgreniers, S.⁵

99
- 2942731522
- H. Hirai, T. Tanaka, T. Kawamura, Y. Yamamoto and T. Yagi, J. Phys. Chem. Solids 65, 1555 (2004).
- (2004) J. Phys. Chem. Solids , vol.65 , pp. 1555
- Hirai, H.¹ Tanaka, T.² Kawamura, T.³ Yamamoto, Y.⁴ Yagi, T.⁵

100
- 38949187156
- J.S. Loveday and R.J. Nelmes, Phys. Chem. Chem. Phys. 10, 937 (2008).
- (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 937
- Loveday, J.S.¹ Nelmes, R.J.²

101
- 79961229499
- A.Y. Manakov, A.G. Ogienko, M. Tkacz, J. Lipkowski, A.S. Stoporev and N.V. Kutaev, J. Phys. Chem. B 115, 9564 (2011).
- (2011) J. Phys. Chem. B , vol.115 , pp. 9564
- Manakov, A.Y.¹ Ogienko, A.G.² Tkacz, M.³ Lipkowski, J.⁴ Stoporev, A.S.⁵ Kutaev, N.V.⁶

102
- 0037435476
- H. Shimizu, S. Hori, T. Kume and S. Sasaki, Chem. Phys. Lett. 368, 132 (2003).
- (2003) Chem. Phys. Lett. , vol.368 , pp. 132
- Shimizu, H.¹ Hori, S.² Kume, T.³ Sasaki, S.⁴

103
- 0041705100
- H. Shimizu, Can. J. Phys. 81, 127 (2003).
- (2003) Can. J. Phys. , vol.81 , pp. 127
- Shimizu, H.¹

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