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تسجيل مستخدم جديدEquation of state for five-dimensional hyperspheres from the chemical-potential route
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We use the Percus-Yevick approach in the chemical-potential route to evaluate the equation of state of hard hyperspheres in five dimensions. The evaluation requires the derivation of an analytical expression for the contact value of the pair distribution function between particles of the bulk fluid and a solute particle with arbitrary size. The equation of state is compared with those obtained from the conventional virial and compressibility thermodynamic routes and the associated virial coefficients are computed. The pressure calculated from all routes is exact up to third density order, but it deviates with respect to simulation data as density increases, the compressibility and the chemical-potential routes exhibiting smaller deviations than the virial route. Accurate linear interpolations between the compressibility route and either the chemical-potential route or the virial one are constructed.
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The chemical potentials of multicomponent fluids are derived in terms of the pair correlation functions for arbitrary number of components, interaction potentials, and dimensionality. The formally exact result is particularized to hard-sphere mixture
s with zero or positive nonadditivity. As a simple application, the chemical potentials of three-dimensional additive hard-sphere mixtures are derived from the Percus-Yevick theory and the associated equation of state is obtained. This Percus-Yevick chemical-route equation of state is shown to be more accurate than the virial equation of state. An interpolation between the chemical-potential and compressibility routes exhibits a better performance than the well-known Boublik-Mansoori-Carnahan-Starling-Leland equation of state.
Structural and thermodynamic properties of multicomponent hard-sphere fluids at odd dimensions have recently been derived in the framework of the rational function approximation (RFA) [Rohrmann and Santos, Phys. Rev. E textbf{83}, 011201 (2011)]. It
is demonstrated here that the RFA technique yields the exact solution of the Percus-Yevick (PY) closure to the Ornstein-Zernike (OZ) equation for binary mixtures at arbitrary odd dimensions. The proof relies mainly on the Fourier transforms $hat{c}_{ij}(k)$ of the direct correlation functions defined by the OZ relation. From the analysis of the poles of $hat{c}_{ij}(k)$ we show that the direct correlation functions evaluated by the RFA method vanish outside the hard core, as required by the PY theory.
The coupling-parameter method, whereby an extra particle is progressively coupled to the rest of the particles, is applied to the sticky-hard-sphere fluid to obtain its equation of state in the so-called chemical-potential route ($mu$ route). As a co
nsistency test, the results for one-dimensional sticky particles are shown to be exact. Results corresponding to the three-dimensional case (Baxters model) are derived within the Percus-Yevick approximation by using different prescriptions for the dependence of the interaction potential of the extra particle on the coupling parameter. The critical point and the coexistence curve of the gas-liquid phase transition are obtained in the $mu$ route and compared with predictions from other thermodynamics routes and from computer simulations. The results show that the $mu$ route yields a general better description than the virial, energy, compressibility, and zero-separation routes.
Following the work of Leutheusser [Physica A 127, 667 (1984)], the solution to the Percus-Yevick equation for a seven-dimensional hard-sphere fluid is explicitly found. This allows the derivation of the equation of state for the fluid taking both the
virial and the compressibility routes. An analysis of the virial coefficients and the determination of the radius of convergence of the virial series are carried out. Molecular dynamics simulations of the same system are also performed and a comparison between the simulation results for the compressibility factor and theoretical expressions for the same quantity is presented.
The equilibrium properties of a Janus fluid confined to a one-dimensional channel are exactly derived. The fluid is made of particles with two faces (active and passive), so that the pair interaction is that of hard spheres, except if the two active
faces are in front of each other, in which case the interaction has a square-well attractive tail. Our exact solution refers to quenched systems (i.e., each particle has a fixed face orientation), but we argue by means of statistical-mechanical tools that the results also apply to annealed systems (i.e., each particle can flip its orientation) in the thermodynamic limit. Comparison between theoretical results and Monte Carlo simulations for quenched and annealed systems, respectively, shows an excellent agreement.
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