Triple Point for LJ

EOS Citations: Virial coefficients taken from A. J. Schultz and D. A. Kofke, "Sixth, seventh and eighth virial coefficients of the Lennard-Jones model", Mol. Phys., 107, 2309 (2009); N. S. Barlow, A. J. Schultz, D. A. Kofke, S. J. Weinstein, "Critical Isotherms from Virial Series Using Asymptotically Consistent Approximants", AIChE J. 60, 3336-3349 (2014); C. Feng, A. J. Schultz, V. Chaudhary, D. A. Kofke, "Eighth to sixteenth virial coefficients of the Lennard-Jones model", J. Chem. Phys. 143, 044504 (2015); includes additional coefficients computed more recently; fits for B₄-B₉ as described in N. Gokul, A. J. Schultz, D. A. Kofke, "Properties of supercritical N2, O2, CO2, and NH3 mixtures from the virial equation of state", AIChE J. 67, e17072 (2021).

EOS Citation: M. Gottschalk, "An EOS for the Lennard-Jones fluid: A virial expansion approach", AIP Adv. 9, 125206 (2019).

EOS Citation: J. Johnson, J. Zollweg, and K. Gubbins, "The Lennard-Jones equation of state revisited", Mol. Phys. 78, 591–618 (1993).

EOS Citation: J. Kolafa and I. Nezbeda, "The Lennard-Jones fluid: An accurate analytic and theoretically-based equation of state", Fluid Phase Equilib. 100, 1 (1994).

EOS Citation: H.-O. May and P. Mausbach, "Riemannian geometry study of vapor-liquid phase equilibria and supercritical behavior of the Lennard-Jones fluid", Phys. Rev. E 86, 059905 (2012).

EOS Citation: M. Mecke, A. Müller, J. Winkelmann, J. Vrabec, J. Fischer, R. Span and W. Wagner, "An accurate Van der Waals-type equation of state for the Lennard-Jones fluid", Int. J. Thermophys. 17, 391 (1996).

EOS Citation: J. J. Nicolas, K. E. Gubbins, W. B. Street, D. J. Tildesley, "Equation of state for the Lennard-Jones fluid", Mol. Phys. 37, 1429 (1979).

EOS Citation: M. Thol, G. Rutkai, A. K ̈oster, R. Lustig, R. Span, and J. Vrabec, "Equation of state for the Lennard-Jones fluid", J. Phys. Chem. Ref. Data 45, 023101 (2016).

EOS Citation: A. J. Schultz, D. A. Kofke, "Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases", J. Chem. Phys. 149, 204508 (2018).

EOS Citation: M. Gottschalk, "An EOS for the Lennard-Jones fluid: A virial expansion approach", AIP Adv. 9, 125206 (2019).

EOS Citation: J. Johnson, J. Zollweg, and K. Gubbins, "The Lennard-Jones equation of state revisited", Mol. Phys. 78, 591–618 (1993).

EOS Citation: J. Kolafa and I. Nezbeda, "The Lennard-Jones fluid: An accurate analytic and theoretically-based equation of state", Fluid Phase Equilib. 100, 1 (1994).

EOS Citation: H.-O. May and P. Mausbach, "Riemannian geometry study of vapor-liquid phase equilibria and supercritical behavior of the Lennard-Jones fluid", Phys. Rev. E 86, 059905 (2012).

EOS Citation: M. Mecke, A. Müller, J. Winkelmann, J. Vrabec, J. Fischer, R. Span and W. Wagner, "An accurate Van der Waals-type equation of state for the Lennard-Jones fluid", Int. J. Thermophys. 17, 391 (1996).

EOS Citation: J. J. Nicolas, K. E. Gubbins, W. B. Street, D. J. Tildesley, "Equation of state for the Lennard-Jones fluid", Mol. Phys. 37, 1429 (1979).

EOS Citation: M. Thol, G. Rutkai, A. K ̈oster, R. Lustig, R. Span, and J. Vrabec, "Equation of state for the Lennard-Jones fluid", J. Phys. Chem. Ref. Data 45, 023101 (2016).

EOS Citation: A. J. Schultz, D. A. Kofke, "Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases", J. Chem. Phys. 149, 204508 (2018).

EOS Citation: H. Adidharma and S. P. Tan, "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", J. Chem. Phys. 145, 014503 (2016).

EOS Citations: A. J. Schultz, D. A. Kofke, "Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases", J. Chem. Phys. 149, 204508 (2018); A. Purohit, A. J. Schultz, S. G. Moustafa, J. R. Errington, D. A. Kofke, "Free energy and concentration of crystalline vacancies by molecular simulation", Mol. Phys. 116, 3027-3041 (2018).

EOS Citation: H. Adidharma and S. P. Tan, "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", J. Chem. Phys. 145, 014503 (2016).

EOS Citation: E. A. Mastny and J. J. de Pablo, "Melting line of the Lennard-Jones system, infinite size, and full potential", J. Chem. Phys. 127, 104504 (2007).

EOS Citation: M. A. van der Hoef, "Free energy of the Lennard-Jones solid", J. Chem. Phys. 113, 8142 (2000).