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Volumn 132, Issue 11, 2010, Pages

Liquid-vapor equilibria and interfacial properties of n-alkanes and perfluoroalkanes by molecular simulation

Author keywords

[No Author keywords available]

Indexed keywords

CRITICAL TEMPERATURES; ENERGY VALUE; EXPERIMENTAL DATA; HIGH TEMPERATURE; INTERFACIAL PROPERTY; LIQUID VAPOR EQUILIBRIUM; LIQUID-VAPOR; MOLECULAR SIMULATIONS; N-ALKANES; PARAMETERIZATIONS; PERFLUOROALKANES; SURFACE ENERGIES; TEMPERATURE RANGE;

EID: 77949753540     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3356219     Document Type: Article
Times cited : (27)

References (39)
  • 1
    • 11144321646 scopus 로고    scopus 로고
    • 0021-9606,. 10.1063/1.1811071
    • F. A. Escobedo and Z. Chen, J. Chem. Phys. 0021-9606 121, 11463 (2004). 10.1063/1.1811071
    • (2004) J. Chem. Phys. , vol.121 , pp. 11463
    • Escobedo, F.A.1    Chen, Z.2
  • 6
    • 0002467378 scopus 로고
    • 0021-9991,. 10.1006/jcph.1995.1039
    • S. J. Plimpton, J. Comput. Phys. 0021-9991 117, 1 (1995). 10.1006/jcph.1995.1039
    • (1995) J. Comput. Phys. , vol.117 , pp. 1
    • Plimpton, S.J.1
  • 7
    • 0001538909 scopus 로고
    • 1050-2947,. 10.1103/PhysRevA.31.1695
    • W. G. Hoover, Phys. Rev. A 1050-2947 31, 1695 (1985). 10.1103/PhysRevA.31.1695
    • (1985) Phys. Rev. A , vol.31 , pp. 1695
    • Hoover, W.G.1
  • 11
    • 0346074435 scopus 로고
    • 0021-9606,. 10.1063/1.1747248
    • J. G. Kirkwood and F. P. Buff, J. Chem. Phys. 0021-9606 17, 338 (1949). 10.1063/1.1747248
    • (1949) J. Chem. Phys. , vol.17 , pp. 338
    • Kirkwood, J.G.1    Buff, F.P.2
  • 14
    • 77949662875 scopus 로고    scopus 로고
    • n F2n+2, with n between 6 and 12.
    • n F2n+2, with n between 6 and 12.
  • 18
    • 77949725137 scopus 로고    scopus 로고
    • NIST Chemistry Webbook.
    • NIST Chemistry Webbook, http://webbook.nist.gov/chemistry.
  • 22
    • 33746012315 scopus 로고
    • 0021-9606,. 10.1063/1.1744102
    • J. W. Cahn and J. E. Hilliard, J. Chem. Phys. 0021-9606 28, 258 (1958). 10.1063/1.1744102
    • (1958) J. Chem. Phys. , vol.28 , pp. 258
    • Cahn, J.W.1    Hilliard, J.E.2
  • 23
  • 24
    • 35348862414 scopus 로고    scopus 로고
    • Surface and thin film characteristics of poly(tetrafluoroethylene) melts from molecular dynamics simulations
    • DOI 10.1021/ma071052c
    • S. Lee, J. Chang, R. L. Jaffe, and D. Y. Yoon, Macromolecules 0024-9297 40, 7407 (2007). 10.1021/ma071052c (Pubitemid 47583091)
    • (2007) Macromolecules , vol.40 , Issue.20 , pp. 7407-7412
    • Lee, S.1    Chang, J.2    Jaffe, R.L.3    Yoon, D.Y.4
  • 28
    • 0028529197 scopus 로고
    • 0024-9297,. 10.1021/ma00099a026
    • B. B. Sauer and G. T. Dee, Macromolecules 0024-9297 27, 6112 (1994). 10.1021/ma00099a026
    • (1994) Macromolecules , vol.27 , pp. 6112
    • Sauer, B.B.1    Dee, G.T.2
  • 29
    • 9744228929 scopus 로고    scopus 로고
    • Coexistence densities of methane and propane by canonical molecular dynamics and Gibbs ensemble Monte Carlo simulations
    • DOI 10.1080/0892702031000117270, PII YNUB8VCAG12X794W
    • J. C. P̀mies, C. McCabbe, and P. T. Cummings, Mol. Simul. 0892-7022 29, 463 (2003). 10.1080/0892702031000117270 (Pubitemid 44124837)
    • (2003) Molecular Simulation , vol.29 , Issue.6-7 , pp. 463-470
    • Pamies, J.C.1    McCabe, C.2    Cummings, P.T.3    Vega, L.F.4
  • 31
    • 0029912748 scopus 로고    scopus 로고
    • Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
    • DOI 10.1021/ja9621760, PII S0002786396021762
    • W. L. Jorgensen, D. L. Maxwell, and J. Tirado-Rives, J. Am. Chem. Soc. 0002-7863 118, 11225 (1996). 10.1021/ja9621760 (Pubitemid 26399746)
    • (1996) Journal of the American Chemical Society , vol.118 , Issue.45 , pp. 11225-11236
    • Jorgensen, W.L.1    Maxwell, D.S.2    Tirado-Rives, J.3
  • 32
    • 0037202625 scopus 로고    scopus 로고
    • A revised quantum chemistry-based potential for poly(ethylene oxide) and its oligomers in aqueous solution
    • DOI 10.1002/jcc.10166
    • G. D. Smith, O. Borodin, and D. Bedrov, J. Comput. Chem. 0192-8651 23, 1480 (2002). 10.1002/jcc.10166 (Pubitemid 35359091)
    • (2002) Journal of Computational Chemistry , vol.23 , Issue.15 , pp. 1480-1488
    • Smith, G.D.1    Borodin, O.2    Bedrov, D.3
  • 35
    • 0037180010 scopus 로고    scopus 로고
    • A quantum chemistry based force field for perfluoroalkanes and poly(tetrafluoroethylene)
    • DOI 10.1021/jp026158i
    • O. Borodin, G. D. Smith, and D. Bedrov, J. Phys. Chem. B 1089-5647 106, 9912 (2002). 10.1021/jp026158i (Pubitemid 35382752)
    • (2002) Journal of Physical Chemistry B , vol.106 , Issue.38 , pp. 9912-9922
    • Borodin, O.1    Smith, G.D.2    Bedrov, D.3
  • 36
    • 33645807135 scopus 로고    scopus 로고
    • 1089-5647,. 10.1021/jp055079e
    • O. Borodin and G. D. Smith, J. Phys. Chem. B 1089-5647 110, 6279 (2006). 10.1021/jp055079e
    • (2006) J. Phys. Chem. B , vol.110 , pp. 6279
    • Borodin, O.1    Smith, G.D.2
  • 37
    • 43549118739 scopus 로고    scopus 로고
    • 1932-7447,. 10.1021/jp710678w
    • M. Tsige and G. S. Grest, J. Phys. Chem. C 1932-7447 112, 5029 (2008). 10.1021/jp710678w
    • (2008) J. Phys. Chem. C , vol.112 , pp. 5029
    • Tsige, M.1    Grest, G.S.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.