Fourth virial coefficients of asymmetric nonadditive hard-disk mixtures.

The fourth virial coefficient of asymmetric nonadditive binary mixtures of hard disks is computed with a standard Monte Carlo method. Wide ranges of size ratio (0.05 ≤ q ≤ 0.95) and nonadditivity (-0.5 ≤ Δ ≤ 0.5) are covered. A comparison is made between the numerical results and those that follow from some theoretical developments. The possible use of these data in the derivation of new equations of state for these mixtures is illustrated by considering a rescaled virial expansion truncated to fourth order. The numerical results obtained using this equation of state are compared with Monte Carlo simulation data in the case of a size ratio q = 0.7 and two nonadditivities Δ = ±0.2.

[1]  M. Schmidt,et al.  Radial distribution functions of non-additive hard sphere mixtures via Percus’ test particle route , 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

[2]  F. Saija.  The fourth virial coefficient of a nonadditive hard-disc mixture. , 2011, Physical chemistry chemical physics : PCCP.

[3]  M. Schmidt,et al.  Binary non-additive hard sphere mixtures: fluid demixing, asymptotic decay of correlations and free fluid interfaces , 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

[4]  G. Odriozola,et al.  Phase behaviour and separation kinetics of symmetric non-additive hard discs , 2010 .

[5]  S. B. Yuste,et al.  Virial coefficients, thermodynamic properties, and fluid-fluid transition of nonadditive hard-sphere mixtures. , 2009, The Journal of chemical physics.

[6]  M. Bárcenas,et al.  Study of Medium Effect on Asphaltene Agglomeration Inhibitor Efficiency , 2007, 0710.1289.

[7]  V. Volkov,et al.  Phase behavior of polymer mixtures with nonadditive hard-sphere potential , 2007 .

[8]  G. Pellicane,et al.  Virial coefficients and demixing of athermal nonadditive mixtures. , 2007, The journal of physical chemistry. B.

[9]  H. Löwen,et al.  Microphase structuring in two-dimensional magnetic colloid mixtures , 2006 .

[10]  G. Pellicane,et al.  Thermodynamic stability of fluid-fluid phase separation in binary athermal mixtures: the role of nonadditivity. , 2006, The journal of physical chemistry. B.

[11]  Y. Duda,et al.  Modeling of composite latex particle morphology by off-lattice Monte Carlo simulation. , 2005, Langmuir : the ACS journal of surfaces and colloids.

[12]  A. Buhot.  Cluster algorithm for nonadditive hard-core mixtures. , 2004, The Journal of chemical physics.

[13]  S. B. Yuste,et al.  Equation of state of nonadditive d-dimensional hard-sphere mixtures. , 2004, The Journal of chemical physics.

[14]  S. Luding,et al.  Molecular dynamics and theory for the contact values of the radial distribution functions of hard-disk fluid mixtures. , 2004, The Journal of chemical physics.

[15]  R. Faller,et al.  Modeling the Binding of Cholera Toxin to a Lipid Membrane by a Non‐additive Two‐Dimensional Hard‐Disk Model , 2003 .

[16]  R. Castañeda-Priego,et al.  Depletion forces in two-dimensional colloidal mixtures , 2003 .

[17]  F. Saija,et al.  Monte Carlo simulation and phase behavior of nonadditive hard-core mixtures in two dimensions , 2002 .

[18]  S. B. Yuste,et al.  Equation of state of additive hard-disk fluid mixtures: a critical analysis of two recent proposals. , 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

[19]  S. B. Yuste,et al.  Contact values of the radial distribution functions of additive hard-sphere mixtures in d dimensions: A new proposal , 2002, cond-mat/0203182.

[20]  S. Luding.  Global equation of state of two-dimensional hard sphere systems. , 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

[21]  S. B. Yuste,et al.  Virial coefficients and equations of state for mixtures of hard discs, hard spheres and hard hyperspheres , 2001, cond-mat/0101098.

[22]  E. Hamad,et al.  Volume-explicit equation of state and phase behavior for mixtures of hard disks , 2000 .

[23]  E. Hamad,et al.  Modeling and simulation of equation of state for nonadditive hard disk mixtures , 1999 .

[24]  F. Saija,et al.  Virial expansion of a non-additive hard-sphere mixture , 1998 .

[25]  P. Nielaba,et al.  Quantum simulations in materials science: molecular monolayers and crystals , 1999 .

[26]  P. Nielaba.  Phase transitions and quantum effects in adsorbed monolayers , 1996 .

[27]  B. Croset,et al.  The commensurate-incommensurate phase transitions in monolayers of physisorbed mixtures of rare gases : a simple model , 1994 .

[28]  Fraser,et al.  Theory and simulations for hard-disk models of binary mixtures of molecules with internal degrees of freedom. , 1991, Physical review. A, Atomic, molecular, and optical physics.

[29]  H. M. Schaink,et al.  Pressure and coexistence curve of two- and three-dimensional nonadditive hard core mixtures. Exact computer calculation results compared with scaled particle theory predictions , 1990 .

[30]  R. Mazo,et al.  Scaled particle theory for mixtures of nonadditive hard disks or hard spheres: An alternative scaling , 1990 .

[31]  R. Mazo,et al.  Studies of a version of scaled particle theory for nonadditive hard disks. II. Fluid–fluid phase equilibria , 1989 .

[32]  J. Hansen,et al.  Freezing of binary hard disk alloys I: Equation-of-state and pair structure of the fluid phase , 1988 .

[33]  R. Mazo,et al.  Studies of a version of scaled particle theory for nonadditive hard disks , 1988 .

[34]  Baus,et al.  Thermodynamics and structure of a fluid of hard rods, disks, spheres, or hyperspheres from rescaled virial expansions. , 1987, Physical review. A, General physics.

[35]  I. Nezbeda,et al.  P-V-T behaviour of hard body fluids. Theory and experiment , 1986 .

[36]  S. Sinha,et al.  Semiclassical statistical mechanics of two‐dimensional fluid mixture of hard disks , 1985 .

[37]  S. Sinha,et al.  Perturbation theory for equilibrium properties of a binary mixture of hard discs , 1983 .

[38]  W. Gelbart,et al.  Hard-particle fluids. II. Generaly-expansion-like descriptions , 1980 .

[39]  E. Dickinson.  Statistical thermodynamics of fluid phase equilibrium in a conformal polydisperse system , 1980 .

[40]  E. Dickinson.  On the thermodynamics of polydisperse systems of non-additive hard particles , 1979 .

[41]  W. Gelbart,et al.  Series representation of the equation of state for hard particle fluids , 1979 .

[42]  R. Tenne,et al.  Scaled particle theory for nonadditive hard spheres: Solutions for general positive nonadditivity , 1978 .

[43]  K. Kratky.  Fifth to tenth virial coefficients of a hard-sphere fluid , 1977 .

[44]  E. Dickinson.  Molecular dynamics simulation of hard-disc mixtures , 1977 .