Simulation-based equation of state of the hard disk fluid and prediction of higher-order virial coefficients

نویسنده

  • J. KOLAFA
چکیده

We present new molecular dynamics results for the pressure of the pure hard disk fluid up to the hexatic transition (about reduced density 0.9). The data combined with the known virial coefficients (up to B10) are used to build an equation of state, to estimate higher-order virial coefficients, and also to obtain a better value of B10. Finite size effects are discussed in detail. The “van der Waals-like” loop reported in literature in the vicinity of the fluid/hexatic transition is explained by suppressed density fluctuations in the canonical ensemble. The inflection point on the pressure-density dependence is predicted by the equation of state even if the hexatic phase simulation data are not considered.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

A New Piecewise EOS for Compressibility Factor Prediction Based on the M-factor Theory

In this study for the first time a new description of compressibility factor is rendered based on the virial expansion. The compressibility factor as a function of M-factor is qualitatively and quantitatively expressed. At first, we present how may the third, fourth and higher order virial coefficients be logically ignored in order to simplify the virial equation. The results show, wh...

متن کامل

Prediction of PVT Properties of Pure Refrigerants Using ISM Equation of State

A three-parameter cubic equation of state has been proposed for predicting PVT of pure refrigerantssuch as R236ea, R236fa, R245fa, R245ca, R218, R227ea, and R717, from freezing point up to critical pointtemperature and pressures up 650 atm. We explore the theory of the equation of state from the view pointof Ihm–Song–Mason (ISM) equation of state, which has been derived on the basis of statisti...

متن کامل

Analytic Equation of State for the Square-well Plus Sutherland Fluid from Perturbation Theory

Analytic expressions were derived for the compressibility factor and residual internal energy of the square-well plus Sutherland fluid. In this derivation, we used the second order Barker-Henderson perturbation theory based on the macroscopic compressibility approximation together with an analytical expression for radial distribution function of the reference hard sphere fluid. These properties...

متن کامل

Dimensional interpolation of hard sphere virial coefficients

We examine the dependence on spatial dimension D of the Mayer cluster integrals that determine the virial coefficients B, for a fluid of rigid hyperspheres. The integrals vary smoothly with D, and can be characterized analytically in both the low-D and high-D limits. Dimensional interpolation (DI) allows one to evaluate individual Mayer cluster integrals at D = 2 and D = 3 to within about 1%. T...

متن کامل

On the relation between virial coefficients and the close-packing of hard disks and hard spheres.

The question of whether the known virial coefficients are enough to determine the packing fraction η(∞) at which the fluid equation of state of a hard-sphere fluid diverges is addressed. It is found that the information derived from the direct Padé approximants to the compressibility factor constructed with the virial coefficients is inconclusive. An alternative approach is proposed which makes...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2006