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Volumn 80, Issue 12, 2012, Pages 1099-1109

Beyond the Van Der Waals loop: What can be learned from simulating Lennard-Jones fluids inside the region of phase coexistence

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EID: 84870313201     PISSN: 00029505     EISSN: None     Source Type: Journal    
DOI: 10.1119/1.4754020     Document Type: Article
Times cited : (135)

References (44)
  • 3
    • 5344261317 scopus 로고
    • Theory of first-order phase-transitions
    • 10.1088/0034-4885/50/7/001
    • Binder K. Theory of first-order phase-transitions. Rep. Prog. Phys. 1987, 50:783-859. 10.1088/0034-4885/50/7/001,
    • (1987) Rep. Prog. Phys. , vol.50 , pp. 783-859
    • Binder, K.1
  • 5
    • 0004036594 scopus 로고    scopus 로고
    • K. Binder, G. Ciccotti, edited by and (Societa Italiano di Fisica, Bologna),.
    • Monte Carlo and Molecular Dynamics of Condensed Matter 1996, K. Binder, G. Ciccotti, edited by and (Societa Italiano di Fisica, Bologna),.
    • (1996) Monte Carlo and Molecular Dynamics of Condensed Matter
  • 8
    • 0346310165 scopus 로고
    • The thermodynamic theory of capillarity under the hypothesis of a continuous variation of density
    • 10.1007/BF01011513, (Verhandlingen der Koninglijke Akademie van Wetenschappen, Amsterdam),.Also see the English translation by
    • van der Waals J.D. Rowlinson J.S. The thermodynamic theory of capillarity under the hypothesis of a continuous variation of density. J. Stat. Phys. 1979, 20:197-200. 10.1007/BF01011513, (Verhandlingen der Koninglijke Akademie van Wetenschappen, Amsterdam),.Also see the English translation by
    • (1979) J. Stat. Phys. , vol.20 , pp. 197-200
    • van der Waals, J.D.1    Rowlinson, J.S.2
  • 9
    • 1842782418 scopus 로고    scopus 로고
    • The evaporation/condensation transition of liquid droplets
    • 10.1063/1.1645784
    • MacDowell L.G. Virnau P. Müller M. Binder K. The evaporation/condensation transition of liquid droplets. J. Chem. Phys. 2004, 120:5293-5308. 10.1063/1.1645784",".
    • (2004) J. Chem. Phys. , vol.120 , pp. 5293-5308
    • MacDowell, L.G.1    Virnau, P.2    Müller, M.3    Binder, K.4
  • 10
    • 29644446874 scopus 로고    scopus 로고
    • Free energies of the φ4-model from Wang-Landau simulations
    • 10.1103/PhysRevB.72.094103, 094103-1-10
    • Tröster A. Dellago C. Schranz W. Free energies of the φ4-model from Wang-Landau simulations. Phys. Rev. B 2005, 72:094103-1-10. 10.1103/PhysRevB.72.094103",".
    • (2005) Phys. Rev. B , vol.72
    • Tröster, A.1    Dellago, C.2    Schranz, W.3
  • 11
    • 33746285475 scopus 로고    scopus 로고
    • Nucleation and cavitation of spherical, cylindricalslablike droplets and bubbles in small systems
    • 10.1063/1.2218845, 034705-1-15
    • MacDowell L.G. Shen V.K. Errington J.R. Nucleation and cavitation of spherical, cylindricalslablike droplets and bubbles in small systems. J. Chem. Phys. 2006, 125:034705-1-15. 10.1063/1.2218845",".
    • (2006) J. Chem. Phys. , vol.125
    • MacDowell, L.G.1    Shen, V.K.2    Errington, J.R.3
  • 12
    • 67650918140 scopus 로고    scopus 로고
    • Simulation of vapor-liquid coexistence in finite volumes: A method to compute the surface free energy of droplets
    • 10.1103/PhysRevE.79.061104, 061104-1-12
    • Schrader M. Virnau P. Binder K. Simulation of vapor-liquid coexistence in finite volumes: A method to compute the surface free energy of droplets. Phys. Rev. E 2009, 79:061104-1-12. 10.1103/PhysRevE.79.061104",".
    • (2009) Phys. Rev. E , vol.79
    • Schrader, M.1    Virnau, P.2    Binder, K.3
  • 13
    • 78049293788 scopus 로고    scopus 로고
    • Curvature dependence of surface free energy of liquid drops and bubbles: A simulation study
    • 10.1063/1.3493464, 154702-1-12
    • Block B.J. Das S.K. Oettel M. Virnau P. Binder K. Curvature dependence of surface free energy of liquid drops and bubbles: A simulation study. J. Chem. Phys. 2010, 133:154702-1-12. 10.1063/1.3493464",".
    • (2010) J. Chem. Phys. , vol.133
    • Block, B.J.1    Das, S.K.2    Oettel, M.3    Virnau, P.4    Binder, K.5
  • 14
    • 84857307656 scopus 로고    scopus 로고
    • Numerical approaches to determine the interface tension of curved interfaces from free energy calculations
    • 10.1063/1.3685221, 064709-1-16
    • Tröster A. Oettel M. Block B. Virnau P. Binder K. Numerical approaches to determine the interface tension of curved interfaces from free energy calculations. J. Chem. Phys. 2012, 136:064709-1-16. 10.1063/1.3685221",".
    • (2012) J. Chem. Phys. , vol.136
    • Tröster, A.1    Oettel, M.2    Block, B.3    Virnau, P.4    Binder, K.5
  • 15
    • 0000248319 scopus 로고
    • Critical clusters in a supersaturated vapor-Theory and Monte Carlo simulation
    • 10.1007/BF01014648
    • Binder K. Kalos M.H. Critical clusters in a supersaturated vapor-Theory and Monte Carlo simulation. J. Stat. Phys. 1980, 22:363-396. 10.1007/BF01014648",".
    • (1980) J. Stat. Phys. , vol.22 , pp. 363-396
    • Binder, K.1    Kalos, M.H.2
  • 16
    • 0001076757 scopus 로고
    • Two-phase equilibria and nucleation barriers near a critical point
    • 10.1103/PhysRevA.26.556
    • Furukawa H. Binder K. Two-phase equilibria and nucleation barriers near a critical point. Phys. Rev. A 1982, 26:556-566. 10.1103/PhysRevA.26.556",".
    • (1982) Phys. Rev. A , vol.26 , pp. 556-566
    • Furukawa, H.1    Binder, K.2
  • 17
    • 0036791294 scopus 로고    scopus 로고
    • On the formation/dissolution of equilibrium droplets
    • 10.1209/epl/i2002-00312-y
    • Biskup M. Chayes L. Kotecky R. On the formation/dissolution of equilibrium droplets. Europhys. Lett. 2002, 60:21-27. 10.1209/epl/i2002-00312-y",".
    • (2002) Europhys. Lett. , vol.60 , pp. 21-27
    • Biskup, M.1    Chayes, L.2    Kotecky, R.3
  • 18
    • 0037365590 scopus 로고    scopus 로고
    • Theory of the evaporation/condensation transition of equilibrium droplets in finite volumes
    • 10.1016/S0378-4371(02)01581-9
    • Binder K. Theory of the evaporation/condensation transition of equilibrium droplets in finite volumes. Physica A 2003, 319:99-114. 10.1016/S0378-4371(02)01581-9,
    • (2003) Physica A , vol.319 , pp. 99-114
    • Binder, K.1
  • 19
    • 0001691988 scopus 로고
    • The gas-liquid transition of the two-dimensional Lennard-Jones fluid
    • 10.1088/0953-8984/2/33/013
    • Rovere M. Heermann D.W. Binder K. The gas-liquid transition of the two-dimensional Lennard-Jones fluid. J. Phys.: Condens. Matter 1990, 2:7009-7032. 10.1088/0953-8984/2/33/013",".
    • (1990) J. Phys.: Condens. Matter , vol.2 , pp. 7009-7032
    • Rovere, M.1    Heermann, D.W.2    Binder, K.3
  • 20
    • 0037492836 scopus 로고
    • Rigorous treatment of van der Waals-Maxwell theory of liquid-vapor transition
    • 10.1063/1.1704821
    • Lebowitz J.L. Penrose O. Rigorous treatment of van der Waals-Maxwell theory of liquid-vapor transition. J. Math. Phys. 1966, 7:98-113. 10.1063/1.1704821",".
    • (1966) J. Math. Phys. , vol.7 , pp. 98-113
    • Lebowitz, J.L.1    Penrose, O.2
  • 21
    • 4043098216 scopus 로고    scopus 로고
    • Phase behavior of n-alkanes in supercritical solution: A Monte Carlo study
    • 10.1063/1.1765103
    • Virnau P. Müller M. MacDowell L.G. Binder K. Phase behavior of n-alkanes in supercritical solution: A Monte Carlo study. J. Chem. Phys. 2004, 121:2169-2179. 10.1063/1.1765103",".
    • (2004) J. Chem. Phys. , vol.121 , pp. 2169-2179
    • Virnau, P.1    Müller, M.2    MacDowell, L.G.3    Binder, K.4
  • 22
    • 0000240394 scopus 로고    scopus 로고
    • Surface tension of the three-dimensional Lennard-Jones fluid from histogram-reweighting Monte Carlo simulations
    • 10.1063/1.481204
    • Potoff J. Panagiotopoulos A. Surface tension of the three-dimensional Lennard-Jones fluid from histogram-reweighting Monte Carlo simulations. J. Chem. Phys. 2000, 112:6411-6415. 10.1063/1.481204",".
    • (2000) J. Chem. Phys. , vol.112 , pp. 6411-6415
    • Potoff, J.1    Panagiotopoulos, A.2
  • 23
    • 59349113578 scopus 로고    scopus 로고
    • Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment
    • 10.1063/1.3050353, 044101-1-17
    • Mognetti B.M. Virnau P. Yelash L. Paul W. Binder K. Müller M. MacDowell L.G. Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment. J. Chem. Phys. 2009, 130:044101-1-17. 10.1063/1.3050353",".
    • (2009) J. Chem. Phys. , vol.130
    • Mognetti, B.M.1    Virnau, P.2    Yelash, L.3    Paul, W.4    Binder, K.5    Müller, M.6    MacDowell, L.G.7
  • 26
    • 18344412208 scopus 로고    scopus 로고
    • Calculation of free energy through successive umbrella sampling
    • 10.1063/1.1739216
    • Virnau P. Müller M. Calculation of free energy through successive umbrella sampling. J. Chem. Phys. 2004, 120:10925-10930. 10.1063/1.1739216",".
    • (2004) J. Chem. Phys. , vol.120 , pp. 10925-10930
    • Virnau, P.1    Müller, M.2
  • 27
    • 4243819810 scopus 로고
    • New Monte-Carlo technique for studying phase-transitions
    • 10.1103/PhysRevLett.61.2635
    • Ferrenberg A.M. Swendsen R.H. New Monte-Carlo technique for studying phase-transitions. Phys. Rev. Lett. 1988, 61:2635-2639. 10.1103/PhysRevLett.61.2635",".
    • (1988) Phys. Rev. Lett. , vol.61 , pp. 2635-2639
    • Ferrenberg, A.M.1    Swendsen, R.H.2
  • 28
    • 0000349936 scopus 로고
    • Finite-size scaling at first-order phase-transitions
    • 10.1103/PhysRevB.30.1477
    • Binder K. Landau D.P. Finite-size scaling at first-order phase-transitions. Phys. Rev. B 1984, 30:1477-1485. 10.1103/PhysRevB.30.1477",".
    • (1984) Phys. Rev. B , vol.30 , pp. 1477-1485
    • Binder, K.1    Landau, D.P.2
  • 29
    • 0002630956 scopus 로고
    • A rigorous theory of finite-size scaling at 1st-order phase-transitions
    • 10.1007/BF01013955
    • Borgs C. Kotecky R. A rigorous theory of finite-size scaling at 1st-order phase-transitions. J. Stat. Phys. 1990, 61:79-119. 10.1007/BF01013955",".
    • (1990) J. Stat. Phys. , vol.61 , pp. 79-119
    • Borgs, C.1    Kotecky, R.2
  • 30
    • 72649088977 scopus 로고    scopus 로고
    • Monte Carlo test of the classical theory for heterogeneous nucleation barriers
    • 10.1103/PhysRevLett.103.225703, 225703-1-4
    • Winter D. Virnau P. Binder K. Monte Carlo test of the classical theory for heterogeneous nucleation barriers. Phys. Rev. Lett. 2009, 103:225703-1-4. 10.1103/PhysRevLett.103.225703",".
    • (2009) Phys. Rev. Lett. , vol.103
    • Winter, D.1    Virnau, P.2    Binder, K.3
  • 31
    • 72249110691 scopus 로고    scopus 로고
    • Heterogeneous nucleation at a wall near a wetting transition: A Monte Carlo test of the classical theory
    • 10.1088/0953-8984/21/46/464118, 464118-1-15
    • Winter D. Virnau P. Binder K. Heterogeneous nucleation at a wall near a wetting transition: A Monte Carlo test of the classical theory. J. Phys.: Condens. Matter 2009, 21:464118-1-15. 10.1088/0953-8984/21/46/464118",".
    • (2009) J. Phys.: Condens. Matter , vol.21
    • Winter, D.1    Virnau, P.2    Binder, K.3
  • 32
    • 24844470014 scopus 로고
    • Monte Carlo calculation of the surface-tension for two-dimensional and 3-dimensional lattice-gas models
    • 10.1103/PhysRevA.25.1699
    • Binder K. Monte Carlo calculation of the surface-tension for two-dimensional and 3-dimensional lattice-gas models. Phys. Rev. A 1982, 25:1699-1709. 10.1103/PhysRevA.25.1699,
    • (1982) Phys. Rev. A , vol.25 , pp. 1699-1709
    • Binder, K.1
  • 33
    • 36149012281 scopus 로고
    • A two-dimensional model with an order-disorder transition
    • 10.1103/PhysRev.65.117
    • Onsager L. A two-dimensional model with an order-disorder transition. Phys. Rev. 1944, 65:117-149. 10.1103/PhysRev.65.117,
    • (1944) Phys. Rev. , vol.65 , pp. 117-149
    • Onsager, L.1
  • 35
    • 80052038222 scopus 로고    scopus 로고
    • Monte Carlo methods for estimating interfacial free energies and line tensions
    • 10.1007/s10955-011-0226-7
    • Binder K. Block B.J. Das S.K. Virnau P. Winter D. Monte Carlo methods for estimating interfacial free energies and line tensions. J. Stat. Phys. 2011, 144:690-729. 10.1007/s10955-011-0226-7",".
    • (2011) J. Stat. Phys. , vol.144 , pp. 690-729
    • Binder, K.1    Block, B.J.2    Das, S.K.3    Virnau, P.4    Winter, D.5
  • 36
    • 34147162778 scopus 로고
    • The effect of droplet size on surface tension
    • 10.1063/1.1747247
    • Tolman R.C. The effect of droplet size on surface tension. J. Chem. Phys. 1949, 17:333-337. 10.1063/1.1747247,
    • (1949) J. Chem. Phys. , vol.17 , pp. 333-337
    • Tolman, R.C.1
  • 37
    • 33846361745 scopus 로고    scopus 로고
    • Divergence of Tolman's length for a droplet near the critical point
    • 10.1103/PhysRevLett.98.035702, 035702-1-4
    • Anisimov M.P. Divergence of Tolman's length for a droplet near the critical point. Phys. Rev. Lett. 2007, 98:035702-1-4. 10.1103/PhysRevLett.98.035702,
    • (2007) Phys. Rev. Lett. , vol.98
    • Anisimov, M.P.1
  • 38
    • 82455174882 scopus 로고    scopus 로고
    • Universal critical behavior of curvature-dependent interfacial tension
    • 10.1103/PhysRevLett.107.235702, 235702-1-4
    • Das S.K. Binder K. Universal critical behavior of curvature-dependent interfacial tension. Phys. Rev. Lett. 2011, 107:235702-1-4. 10.1103/PhysRevLett.107.235702",".
    • (2011) Phys. Rev. Lett. , vol.107
    • Das, S.K.1    Binder, K.2
  • 39
    • 84855413758 scopus 로고    scopus 로고
    • Thermodynamic properties of a symmetrical binary mixture in the coexistence region
    • 10.1103/PhysRevE.84.061607, 061607-1-10
    • Das S.K. Binder K. Thermodynamic properties of a symmetrical binary mixture in the coexistence region. Phys. Rev. E 2011, 84:061607-1-10. 10.1103/PhysRevE.84.061607",".
    • (2011) Phys. Rev. E , vol.84
    • Das, S.K.1    Binder, K.2
  • 40
    • 0042640726 scopus 로고
    • Some topics in theory of fluids
    • 10.1063/1.1734110
    • Widom B. Some topics in theory of fluids. J. Chem. Phys. 1963, 39:2808. 10.1063/1.1734110,
    • (1963) J. Chem. Phys. , vol.39 , pp. 2808
    • Widom, B.1
  • 42
    • 84863605681 scopus 로고    scopus 로고
    • Microcanonical determination of the interface tension of flat and curved interfaces from Monte Carlo simulations
    • 10.1088/0953-8984/24/28/284107, 284107-1-12
    • Tröster A. Binder K. Microcanonical determination of the interface tension of flat and curved interfaces from Monte Carlo simulations. J. Phys.: Condens. Matter 2012, 24:284107-1-12. 10.1088/0953-8984/24/28/284107",".
    • (2012) J. Phys.: Condens. Matter , vol.24
    • Tröster, A.1    Binder, K.2
  • 44
    • 34447275904 scopus 로고    scopus 로고
    • Coarse grained free energies with gradient corrections from Monte Carlo simulations in Fourier space
    • 10.1103/PhysRevB.76.012402, 012402-1-4
    • Tröster A. Coarse grained free energies with gradient corrections from Monte Carlo simulations in Fourier space. Phys. Rev. B 2007, 76:012402-1-4. 10.1103/PhysRevB.76.012402,
    • (2007) Phys. Rev. B , vol.76
    • Tröster, A.1


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