메뉴 건너뛰기




Volumn 137, Issue 14, 2012, Pages

Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules

Author keywords

[No Author keywords available]

Indexed keywords

CHAINS; COMPRESSIBILITY; EQUATIONS OF STATE; MOLECULAR DYNAMICS; MONOMERS; PERTURBATION TECHNIQUES;

EID: 84867564111     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4754275     Document Type: Article
Times cited : (123)

References (115)
  • 1
    • 12244313431 scopus 로고    scopus 로고
    • 10.1002/aic.10233
    • G. W. Wu and R. J. Sadus, AIChE J. 51, 309-313 (2005). 10.1002/aic.10233
    • (2005) AIChE J. , vol.51 , pp. 309-313
    • Wu, G.W.1    Sadus, R.J.2
  • 9
    • 84867506910 scopus 로고
    • 10.1080/00268977100101981
    • D. Henderson, Mol. Phys. 21, 841 (1971). 10.1080/00268977100101981
    • (1971) Mol. Phys. , vol.21 , pp. 841
    • Henderson, D.1
  • 10
    • 0346184015 scopus 로고
    • 10.1080/00268977200102111
    • L. Verlet and J.-J. Weis, Mol. Phys. 24, 1013 (1972). 10.1080/00268977200102111
    • (1972) Mol. Phys. , vol.24 , pp. 1013
    • Verlet, L.1    Weis, J.-J.2
  • 11
    • 0011775424 scopus 로고
    • 10.1063/1.453326
    • M. S. Wertheim, J. Chem. Phys. 87, 7323-7331 (1987). 10.1063/1.453326
    • (1987) J. Chem. Phys. , vol.87 , pp. 7323-7331
    • Wertheim, M.S.1
  • 22
    • 84946636147 scopus 로고
    • 10.1080/00268978600102131
    • T. Boublík, Mol. Phys. 59, 371-380 (1986). 10.1080/ 00268978600102131
    • (1986) Mol. Phys. , vol.59 , pp. 371-380
    • Boublík, T.1
  • 23
    • 36849098219 scopus 로고
    • 10.1063/1.1678576
    • K. R. Hall, J. Chem. Phys. 57, 2252-2254 (1972). 10.1063/1.1678576
    • (1972) J. Chem. Phys. , vol.57 , pp. 2252-2254
    • Hall, K.R.1
  • 24
    • 0031256951 scopus 로고    scopus 로고
    • 10.1021/ie960763o
    • E. Z. Hamad, Ind. Eng. Chem. Res. 36, 4385-4390 (1997). 10.1021/ie960763o
    • (1997) Ind. Eng. Chem. Res. , vol.36 , pp. 4385-4390
    • Hamad, E.Z.1
  • 25
    • 0001286604 scopus 로고
    • 10.1063/1.467028
    • R. J. Speedy, J. Chem. Phys. 100, 6684-6691 (1994). 10.1063/1.467028
    • (1994) J. Chem. Phys. , vol.100 , pp. 6684-6691
    • Speedy, R.J.1
  • 27
    • 4243667428 scopus 로고
    • 10.1103/PhysRevLett.66.2215
    • T. Biben and J.-P. Hansen, Phys. Rev. Lett. 66, 2215-2218 (1991). 10.1103/PhysRevLett.66.2215
    • (1991) Phys. Rev. Lett. , vol.66 , pp. 2215-2218
    • Biben, T.1    Hansen, J.-P.2
  • 28
    • 0000402552 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.79.1881
    • T. Coussaert and M. Baus, Phys. Rev. Lett. 79, 1881-1884 (1997). 10.1103/PhysRevLett.79.1881
    • (1997) Phys. Rev. Lett. , vol.79 , pp. 1881-1884
    • Coussaert, T.1    Baus, M.2
  • 29
    • 18344393555 scopus 로고    scopus 로고
    • 10.1063/1.477227
    • T. Coussaert and M. Baus, J. Chem. Phys. 109, 6012-6020 (1998). 10.1063/1.477227
    • (1998) J. Chem. Phys. , vol.109 , pp. 6012-6020
    • Coussaert, T.1    Baus, M.2
  • 36
    • 33746890925 scopus 로고    scopus 로고
    • 10.1103/PhysRevE.74.021106
    • A. Ayadim and S. Amokrane, Phys. Rev. E 74, 021106 (2006). 10.1103/PhysRevE.74.021106
    • (2006) Phys. Rev. e , vol.74 , pp. 021106
    • Ayadim, A.1    Amokrane, S.2
  • 40
    • 22944458844 scopus 로고    scopus 로고
    • 10.1063/1.1844331
    • P. Bryk, J. Chem. Phys. 122, 064902 (2005). 10.1063/1.1844331
    • (2005) J. Chem. Phys. , vol.122 , pp. 064902
    • Bryk, P.1
  • 46
    • 47249127175 scopus 로고    scopus 로고
    • 10.1088/0953-8984/20/28/283102
    • A. J. Masters, J. Phys.: Condens. Matter 20, 283102 (2008). 10.1088/0953-8984/20/28/283102
    • (2008) J. Phys.: Condens. Matter , vol.20 , pp. 283102
    • Masters, A.J.1
  • 48
    • 0002467378 scopus 로고
    • see. 10.1006/jcph.1995.1039
    • S. Plimpton, J. Comput. Phys. 117, 1-19 (1995), see http://lammps.sandia. gov. 10.1006/jcph.1995.1039
    • (1995) J. Comput. Phys. , vol.117 , pp. 1-19
    • Plimpton, S.1
  • 49
    • 0030175155 scopus 로고    scopus 로고
    • 10.1016/S0263-7855(96)00043-4
    • W. Smith and T. R. Forester, J. Mol. Graphics 14, 136-141 (1996). 10.1016/S0263-7855(96)00043-4
    • (1996) J. Mol. Graphics , vol.14 , pp. 136-141
    • Smith, W.1    Forester, T.R.2
  • 52
    • 84966297342 scopus 로고
    • 10.1002/and19033160802
    • G. Mie, Ann. Phys. 316, 657-697 (1903). 10.1002/andp.19033160802
    • (1903) Ann. Phys. , vol.316 , pp. 657-697
    • Mie, G.1
  • 54
    • 0001242606 scopus 로고
    • 10.1088/0959-5309/43/5/301
    • J. E. Lennard-Jones, Phys. Soc. 43, 461-482 (1931). 10.1088/0959-5309/43/ 5/301
    • (1931) Phys. Soc. , vol.43 , pp. 461-482
    • Lennard-Jones, J.E.1
  • 56
    • 27744479135 scopus 로고
    • 10.1039/tf937330008b
    • F. London, Trans. Faraday Soc. 33, 8-26 (1937). 10.1039/tf937330008b
    • (1937) Trans. Faraday Soc. , vol.33 , pp. 8-26
    • London, F.1
  • 57
    • 0002876075 scopus 로고
    • 10.1021/ma00176a035
    • J. Gao and J. H. Weiner, Macromolecules 20, 2525-2531 (1987). 10.1021/ma00176a035
    • (1987) Macromolecules , vol.20 , pp. 2525-2531
    • Gao, J.1    Weiner, J.H.2
  • 59
    • 0034498876 scopus 로고    scopus 로고
    • 10.1021/ma000281v
    • B. F. Abu-Sharkh, Macromolecules 33, 9437-9443 (2000). 10.1021/ma000281v
    • (2000) Macromolecules , vol.33 , pp. 9437-9443
    • Abu-Sharkh, B.F.1
  • 60
    • 33645754058 scopus 로고    scopus 로고
    • 10.1080/08927020500529442
    • D. M. Heyes and H. Okumura, Mol. Simul. 32, 45-50 (2006). 10.1080/08927020500529442
    • (2006) Mol. Simul. , vol.32 , pp. 45-50
    • Heyes, D.M.1    Okumura, H.2
  • 62
    • 39049169896 scopus 로고
    • 10.1080/00268977100101331
    • J. A. Barker and D. Henderson, Mol. Phys. 21, 187-191 (1971). 10.1080/00268977100101331
    • (1971) Mol. Phys. , vol.21 , pp. 187-191
    • Barker, J.A.1    Henderson, D.2
  • 63
    • 0001636185 scopus 로고
    • 10.1080/00268977400102551
    • D. Adams, Mol. Phys. 28, 1241-1252 (1974). 10.1080/00268977400102551
    • (1974) Mol. Phys. , vol.28 , pp. 1241-1252
    • Adams, D.1
  • 64
  • 66
    • 84915412378 scopus 로고
    • 10.1080/00268978700102371
    • R. J. Speedy, Mol. Phys. 62, 509-515 (1987). 10.1080/00268978700102371
    • (1987) Mol. Phys. , vol.62 , pp. 509-515
    • Speedy, R.J.1
  • 69
    • 84947372907 scopus 로고
    • 10.1080/00268979000101591
    • J. I. Siepmann, Mol. Phys. 70, 1145-1158 (1990). 10.1080/ 00268979000101591
    • (1990) Mol. Phys. , vol.70 , pp. 1145-1158
    • Siepmann, J.I.1
  • 71
    • 12044258558 scopus 로고
    • A critical evaluation of novel algorithms for the off-lattice Monte Carlo simulation of condensed polymer phases
    • (Springer-Verlag, Berlin), Vol. 116
    • E. Leontidis, J. J. de Pablo, M. Laso, and U. W. Suter, A critical evaluation of novel algorithms for the off-lattice Monte Carlo simulation of condensed polymer phases., in Atomistic Modeling of Physical Properties, Advances in Polymer Science (Springer-Verlag, Berlin, 1994), Vol. 116, pp. 283-318.
    • (1994) Atomistic Modeling of Physical Properties, Advances in Polymer Science , pp. 283-318
    • Leontidis, E.1    De Pablo, J.J.2    Laso, M.3    Suter, U.W.4
  • 75
    • 0000072218 scopus 로고
    • 10.1063/1.456682
    • J. Gao and J. H. Weiner, J. Chem. Phys. 90, 6749-6760 (1989). 10.1063/1.456682
    • (1989) J. Chem. Phys. , vol.90 , pp. 6749-6760
    • Gao, J.1    Weiner, J.H.2
  • 77
    • 33645851209 scopus 로고
    • 10.1080/00268979300102401
    • A. Yethiraj and C. K. Hall, Mol. Phys. 80, 469-477 (1993). 10.1080/00268979300102401
    • (1993) Mol. Phys. , vol.80 , pp. 469-477
    • Yethiraj, A.1    Hall, C.K.2
  • 78
    • 21544474856 scopus 로고
    • 10.1063/1.432498
    • J. G. Curro, J. Chem. Phys. 64, 2496-2500 (1976). 10.1063/1.432498
    • (1976) J. Chem. Phys. , vol.64 , pp. 2496-2500
    • Curro, J.G.1
  • 79
  • 80
  • 82
    • 77957100628 scopus 로고
    • 10.1080/00268979000100891
    • Y. C. Chiew, Mol. Phys. 70, 129-143 (1990). 10.1080/00268979000100891
    • (1990) Mol. Phys. , vol.70 , pp. 129-143
    • Chiew, Y.C.1
  • 84
    • 84858888960 scopus 로고
    • 10.1080/00268979300102081
    • E. A. Müller and K. E. Gubbins, Mol. Phys. 80, 91-101 (1993). 10.1080/00268979300102081
    • (1993) Mol. Phys. , vol.80 , pp. 91-101
    • Müller, E.A.1    Gubbins, K.E.2
  • 85
    • 84856126207 scopus 로고
    • 10.1080/00268979300102791
    • E. A. Müller and K. E. Gubbins, Mol. Phys. 80, 957-976 (1993). 10.1080/00268979300102791
    • (1993) Mol. Phys. , vol.80 , pp. 957-976
    • Müller, E.A.1    Gubbins, K.E.2
  • 87
    • 0028496051 scopus 로고
    • 10.1016/0009-2509(94)E0097-A
    • J. Chang and S. I. Sandler, Chem. Eng. Sci. 49, 2777-2791 (1994). 10.1016/0009-2509(94)E0097-A
    • (1994) Chem. Eng. Sci. , vol.49 , pp. 2777-2791
    • Chang, J.1    Sandler, S.I.2
  • 89
    • 0000782345 scopus 로고
    • 10.1021/j100032a048
    • R. J. Sadus, J. Phys. Chem. 99, 12363-12366 (1995). 10.1021/j100032a048
    • (1995) J. Phys. Chem. , vol.99 , pp. 12363-12366
    • Sadus, R.J.1
  • 90
    • 0030264828 scopus 로고    scopus 로고
    • 10.1021/ma951613c
    • R. J. Sadus, Macromolecules 29, 7212-7216 (1996). 10.1021/ma951613c
    • (1996) Macromolecules , vol.29 , pp. 7212-7216
    • Sadus, R.J.1
  • 91
    • 0033231424 scopus 로고    scopus 로고
    • 10.1002/aic.690451118
    • R. J. Sadus, AIChE J. 45, 2454-2457 (1999). 10.1002/aic.690451118
    • (1999) AIChE J. , vol.45 , pp. 2454-2457
    • Sadus, R.J.1
  • 92
    • 33745298491 scopus 로고    scopus 로고
    • 10.1080/00986440500511262
    • K. Nasrifar and O. Bolland, Chem. Eng. Commun. 193, 1277-1293 (2006). 10.1080/00986440500511262
    • (2006) Chem. Eng. Commun. , vol.193 , pp. 1277-1293
    • Nasrifar, K.1    Bolland, O.2
  • 93
    • 36549104268 scopus 로고
    • 10.1063/1.456937
    • J. Gao and J. H. Weiner, J. Chem. Phys. 91, 3168-3173 (1989). 10.1063/1.456937
    • (1989) J. Chem. Phys. , vol.91 , pp. 3168-3173
    • Gao, J.1    Weiner, J.H.2
  • 94
    • 36849127543 scopus 로고
    • 10.1063/1.1725587
    • B. J. Alder, J. Chem. Phys. 40, 2724 (1963). 10.1063/1.1725587
    • (1963) J. Chem. Phys. , vol.40 , pp. 2724
    • Alder, B.J.1
  • 96
    • 36849139794 scopus 로고
    • 10.1063/1.1725611
    • J. L. Lebowitz, J. Chem. Phys. 41, 133 (1964). 10.1063/1.1725611
    • (1964) J. Chem. Phys. , vol.41 , pp. 133
    • Lebowitz, J.L.1
  • 98
    • 33744652340 scopus 로고
    • 10.1080/00268979100100501
    • W. G. T. Kranendonk and D. Frenkel, Mol. Phys. 72, 679-697 (1991). 10.1080/00268979100100501
    • (1991) Mol. Phys. , vol.72 , pp. 679-697
    • Kranendonk, W.G.T.1    Frenkel, D.2
  • 101
    • 36849102098 scopus 로고
    • 10.1063/1.1673824
    • T. Boublík, J. Chem. Phys. 53, 471-472 (1970). 10.1063/1.1673824
    • (1970) J. Chem. Phys. , vol.53 , pp. 471-472
    • Boublík, T.1
  • 105
    • 16344368122 scopus 로고    scopus 로고
    • 10.1016/j.physa.2004.12.045
    • C. Barrio and J. R. Solana, Physica A 351, 387-403 (2005). 10.1016/j.physa.2004.12.045
    • (2005) Physica A , vol.351 , pp. 387-403
    • Barrio, C.1    Solana, J.R.2
  • 113
    • 0000394426 scopus 로고
    • 10.1016/0021-9991(76)90059-0
    • D. Beeman, J. Comput. Phys. 20, 130-139 (1976). 10.1016/0021-9991(76) 90059-0
    • (1976) J. Comput. Phys. , vol.20 , pp. 130-139
    • Beeman, D.1
  • 114
    • 0001538909 scopus 로고
    • 10.1103/PhysRevA.31.1695
    • W. G. Hoover, Phys. Rev. A 31, 1695-1697 (1985). 10.1103/PhysRevA.31.1695
    • (1985) Phys. Rev. A , vol.31 , pp. 1695-1697
    • Hoover, W.G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.