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تسجيل مستخدم جديدNew Virial Equation of State for Hard-Disk Fluids
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Although many equations of state of hard-disk fluids have been proposed, none is capable of reproducing the currently calculated or estimated values of the first eighteen virial coefficients at the same time as giving very good accuracy when compared with computer simulation values for the compressibility factor over the whole fluid range. A new virial-based expression is here proposed which achieves these aims. For that, we use the fact that the currently accepted estimated values for the highest virial coefficients behave linearly with their order, and also that virial coefficients must have a limiting behaviour that permits the closest packing limit in the compressibility factor to be also adequately reproduced.
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A new closed virial equation of state of hard-sphere fluids is proposed which reproduces the calculated or estimated values of the first sixteen virial coefficients at the same time as giving very good accuracy when compared with computer simulation
data for the compressibility factor over the entire fluid range, and having a pole at the correct closest packing density.
Despite the fact that more that more than 30 analytical expressions for the equation of state of hard-disk fluids have been proposed in the literature, none of them is capable of reproducing the currently accepted numeric or estimated values for the
first eighteen virial coefficients. Using the asymptotic expansion method, extended to the first ten virial coefficients for hard-disk fluids, fifty-seven new expressions for the equation of state have been studied. Of these, a new equation of state is selected which reproduces accurately all the first eighteen virial coefficients. Comparisons for the compressibility factor with computer simulations show that this new equation is as accurate as other similar expressions with the same number of parameters. Finally, the location of the poles of the 57 new equations shows that there are some particular configurations which could give both the accurate virial coefficients and the correct closest packing fraction in the future when higher virial coefficients than the tenth are numerically calculated.
The asymptotic expansion method is extended by using currently available accurate values for the first ten virial coefficients for hard sphere fluids. It is then used to yield an equation of state for hard sphere fluids, which accurately represents t
he currently accepted values for the first sixteen virial coefficients and compressibility factor data in both the stable and the metastable regions of the phase diagram.
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.
The dynamical instability of rough hard-disk fluids in two dimensions is characterized through the Lyapunov spectrum and the Kolmogorov-Sinai entropy, $h_{KS}$, for a wide range of densities and moments of inertia $I$. For small $I$ the spectrum sepa
rates into translation-dominated and rotation-dominated parts. With increasing $I$ the rotation-dominated part is gradually filled in at the expense of translation, until such a separation becomes meaningless. At any density, the rate of phase-space mixing, given by $h_{KS}$, becomes less and less effective the more the rotation affects the dynamics. However, the degree of dynamical chaos, measured by the maximum Lyapunov exponent, is only enhanced by the rotational degrees of freedom for high-density gases, but is diminished for lower densities. Surprisingly, no traces of Lyapunov modes were found in the spectrum for larger moments of inertia. The spatial localization of the perturbation vector associated with the maximum exponent however persists for any $I$.
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