메뉴 건너뛰기




Volumn 30, Issue 6, 2004, Pages 343-351

Molecular simulation study of the vapor-liquid interfacial behavior of a dimer-forming associating fluid

Author keywords

Associating fluids; Surface tension; Transition matrix Monte Carlo

Indexed keywords

COMPUTER SIMULATION; FREE ENERGY; INTERFACES (MATERIALS); MOLECULAR DYNAMICS; MONTE CARLO METHODS;

EID: 10844232831     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020310001657108     Document Type: Conference Paper
Times cited : (20)

References (24)
  • 1
    • 0035923938 scopus 로고    scopus 로고
    • An examination of the vapour-liquid interface of associating fluids using a SAFT-DFT approach
    • Blas, F.J., del Rio, E.M., de Miguel, E. and Jackson, G. (2001) "An examination of the vapour-liquid interface of associating fluids using a SAFT-DFT approach", Mol. Phys. 99, 1851.
    • (2001) Mol. Phys. , vol.99 , pp. 1851
    • Blas, F.J.1    Del Rio, E.M.2    De Miguel, E.3    Jackson, G.4
  • 2
    • 0034725478 scopus 로고    scopus 로고
    • Calculation of surface properties of pure fluids using density gradient theory and SAFT-EOS
    • Kahl, H. and Enders, S. (2000) "Calculation of surface properties of pure fluids using density gradient theory and SAFT-EOS", Fluid Phase Equil. 172, 27.
    • (2000) Fluid Phase Equil. , vol.172 , pp. 27
    • Kahl, H.1    Enders, S.2
  • 3
    • 0036009395 scopus 로고    scopus 로고
    • Interfacial properties of binary mixtures
    • Kahl, H. and Enders, S. (2002) "Interfacial properties of binary mixtures", Phys. Chem. Chem. Phys. 4, 931.
    • (2002) Phys. Chem. Chem. Phys. , vol.4 , pp. 931
    • Kahl, H.1    Enders, S.2
  • 4
    • 0037196748 scopus 로고    scopus 로고
    • Application of density functional theory for predicting the surface tension of pure polar and associating fluids
    • Lu, J.-F., Fu, D., Liu, J.-C. and Li, Y.-G. (2002) "Application of density functional theory for predicting the surface tension of pure polar and associating fluids", Fluid Phase Equil. 194-197, 755.
    • (2002) Fluid Phase Equil. , vol.194-197 , pp. 755
    • Lu, J.-F.1    Fu, D.2    Liu, J.-C.3    Li, Y.-G.4
  • 5
    • 0037196791 scopus 로고    scopus 로고
    • A SAFT-DFT approach for the vapour-liquid interface of associating fluids
    • Gloor, G.J., Blas, F.J., del Rio, E.M., de Miguel, E. and Jackson, G. (2002) "A SAFT-DFT approach for the vapour-liquid interface of associating fluids", Fluid Phase Equil. 194-197, 521.
    • (2002) Fluid Phase Equil. , vol.194-197 , pp. 521
    • Gloor, G.J.1    Blas, F.J.2    Del Rio, E.M.3    De Miguel, E.4    Jackson, G.5
  • 6
    • 0037461035 scopus 로고    scopus 로고
    • Surface tension of a square well fluid
    • Orea, P., Duda, Y and Alejandre, J. (2003) "Surface tension of a square well fluid", J. Chem. Phys. 118, 5635.
    • (2003) J. Chem. Phys. , vol.118 , pp. 5635
    • Orea, P.1    Duda, Y.2    Alejandre, J.3
  • 7
    • 0035894391 scopus 로고    scopus 로고
    • Aggregation-volume-bias Monte Carlo simulations of vapor-liquid nucleation barriers for Lennard-Jonesium
    • Chen, B., Siepmann, J.I., Oh, K.J. and Klein, M.L. (2001) "Aggregation-volume-bias Monte Carlo simulations of vapor-liquid nucleation barriers for Lennard-Jonesium", J. Chem. Phys. 115, 10903.
    • (2001) J. Chem. Phys. , vol.115 , pp. 10903
    • Chen, B.1    Siepmann, J.I.2    Oh, K.J.3    Klein, M.L.4
  • 8
    • 0035890539 scopus 로고    scopus 로고
    • Curvature dependent surface tension from a simulation of a cavity in a Lennard-Jones liquid close to coexistence
    • Moody, M.P. and Attard, P. (2001) "Curvature dependent surface tension from a simulation of a cavity in a Lennard-Jones liquid close to coexistence", J. Chem. Phys. 115, 8967.
    • (2001) J. Chem. Phys. , vol.115 , pp. 8967
    • Moody, M.P.1    Attard, P.2
  • 9
    • 0000240394 scopus 로고    scopus 로고
    • Surface tension of the 3-dimensional Lennard-Jones fluid from histogram-reweighting Monte Carlo simulations
    • Potoff, J.J. and Panagiotopoulos, A.Z. (2000) "Surface tension of the 3-dimensional Lennard-Jones fluid from histogram-reweighting Monte Carlo simulations", J. Chem. Phys. 112, 6411.
    • (2000) J. Chem. Phys. , vol.112 , pp. 6411
    • Potoff, J.J.1    Panagiotopoulos, A.Z.2
  • 10
    • 0041906738 scopus 로고    scopus 로고
    • Molecular dynamics simulation of the liquid-vapor interface: The Lennard-Jones fluid
    • Mecke, M., Winkelmann, J. and Fischer, J. (1997) "Molecular dynamics simulation of the liquid-vapor interface: the Lennard-Jones fluid", J. Chem. Phys. 107, 9264.
    • (1997) J. Chem. Phys. , vol.107 , pp. 9264
    • Mecke, M.1    Winkelmann, J.2    Fischer, J.3
  • 11
    • 24844470014 scopus 로고
    • Monte Carlo calculation of the surface tension for two- and three-dimensional lattice gas models
    • Binder, K. (1982) "Monte Carlo calculation of the surface tension for two-and three-dimensional lattice gas models", Phys. Rev. A 25, 1699.
    • (1982) Phys. Rev. A , vol.25 , pp. 1699
    • Binder, K.1
  • 12
    • 0037691860 scopus 로고    scopus 로고
    • Evaluating surface tension using grand-canonical transition-matrix Monte Carlo simulation and finite-size scaling
    • Errington, J.R. (2003) "Evaluating surface tension using grand-canonical transition-matrix Monte Carlo simulation and finite-size scaling", Phys. Rev. E 67, 012102.
    • (2003) Phys. Rev. E , vol.67 , pp. 012102
    • Errington, J.R.1
  • 13
    • 0000215417 scopus 로고
    • Prediction of the thermodynamic properties of associating Lennard-Jones fluids: Theory and simulation
    • Chapman, W.G. (1990) "Prediction of the thermodynamic properties of associating Lennard-Jones fluids: theory and simulation", J. Chem. Phys. 93, 4299.
    • (1990) J. Chem. Phys. , vol.93 , pp. 4299
    • Chapman, W.G.1
  • 14
    • 0041382236 scopus 로고    scopus 로고
    • Phase coexistence and surface tension of square-well of varying well extent
    • Singh, J.K., Kofke, D.A. and Errington, J.R. (2003) "Phase coexistence and surface tension of square-well of varying well extent", J. Chem. Phys. 119, 3405.
    • (2003) J. Chem. Phys. , vol.119 , pp. 3405
    • Singh, J.K.1    Kofke, D.A.2    Errington, J.R.3
  • 16
    • 36849114798 scopus 로고
    • Monte Carlo calculations for hard disks in the isothermal-isobaric ensemble
    • Wood, W.W. (1968) "Monte Carlo calculations for hard disks in the isothermal-isobaric ensemble", J. Chem. Phys. 48, 415.
    • (1968) J. Chem. Phys. , vol.48 , pp. 415
    • Wood, W.W.1
  • 17
    • 0033121435 scopus 로고    scopus 로고
    • Canonical transition probabilities for adaptive metropolis simulation
    • Fitzgerald, M., Picard, R.R. and Silver, R.N. (1999) "Canonical transition probabilities for adaptive metropolis simulation", Europhys. Lett. 46, 282.
    • (1999) Europhys. Lett. , vol.46 , pp. 282
    • Fitzgerald, M.1    Picard, R.R.2    Silver, R.N.3
  • 18
    • 4243819810 scopus 로고
    • New Monte Carlo technique for studying phase transitions
    • Ferrenberg, A.M. and Swendsen, R.H. (1988) "New Monte Carlo technique for studying phase transitions", Phys. Rev. Lett. 61, 2635.
    • (1988) Phys. Rev. Lett. , vol.61 , pp. 2635
    • Ferrenberg, A.M.1    Swendsen, R.H.2
  • 19
    • 0001060267 scopus 로고    scopus 로고
    • Phase equilibria of the modified Buckingham exponential-6 potential from Hamiltonian scaling grand canonical Monte Carlo
    • Errington, J.R. and Panagiotopoulos, A.Z. (1998) "Phase equilibria of the modified Buckingham exponential-6 potential from Hamiltonian scaling grand canonical Monte Carlo", J. Chem. Phys. 109, 1093.
    • (1998) J. Chem. Phys. , vol.109 , pp. 1093
    • Errington, J.R.1    Panagiotopoulos, A.Z.2
  • 20
    • 0035932864 scopus 로고    scopus 로고
    • A general-purpose biasing scheme for Monte Carlo simulation of associating fluids
    • Wierzchowski, S. and Kofke, D.A. (2001) "A general-purpose biasing scheme for Monte Carlo simulation of associating fluids", J. Chem. Phys. 114, 8752.
    • (2001) J. Chem. Phys. , vol.114 , pp. 8752
    • Wierzchowski, S.1    Kofke, D.A.2
  • 21
    • 11144266454 scopus 로고    scopus 로고
    • Singh, J.K., Kofke, D.A., Errington, J.R. and Jones, M.D. (2003) in preparation
    • Singh, J.K., Kofke, D.A., Errington, J.R. and Jones, M.D. (2003) in preparation.
  • 22
    • 0037196838 scopus 로고    scopus 로고
    • Web-based technologies for teaching and using molecular simulation
    • Kofke, D.A. and Mihalick, B.C. (2002) "Web-based technologies for teaching and using molecular simulation", Fluid Phase Equil. 194-197, 327.
    • (2002) Fluid Phase Equil. , vol.194-197 , pp. 327
    • Kofke, D.A.1    Mihalick, B.C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.