The vanishing limit of the square-well fluid: the adhesive hard-sphere model as a reference system.

نویسندگان

  • J Largo
  • M A Miller
  • F Sciortino
چکیده

We report a simulation study of the gas-liquid critical point for the square-well potential, for values of well width delta as small as 0.005 times the particle diameter sigma. For small delta, the reduced second virial coefficient at the critical point B2*c is found to depend linearly on delta. The observed weak linear dependence is not sufficient to produce any significant observable effect if the critical temperature Tc is estimated via a constant B2*c assumption, due to the highly nonlinear transformation between B2*c and Tc. This explains the previously observed validity of the law of corresponding states. The critical density rho c is also found to be constant when measured in units of the cube of the average distance between two bonded particles (1+0.5 delta)sigma. The possibility of describing the delta-->0 dependence with precise functional forms provides improved accurate estimates of the critical parameters of the adhesive hard-sphere model.

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

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

Solvation Force in Hard Ellipsoid Molecular Liquids with Rod-Sphere and Rod- Surface Interactions

In previous work, one of us calculated the Solvation force of hard ellipsoid fluid with hard Gaussian overlap potential using hard needle wall interaction and non-linear equation proposed by Grimson- Rickyazen. In present work, using density functional theory and extended restricted orientation model, the solvation force of hard ellipsoid fluid in presence of more realistic rod- sphere and rod-...

متن کامل

Gas-solid coexistence of adhesive spheres.

The Baxter limit of adhesive spheres is often deemed an unphysical model for liquids due to the thermodynamic metastability of its disordered phases with respect to crystal formation. In this note we use basic free energy considerations to suggest conditions under which the disordered phases are actually stable with respect to the solid for narrow attractive interactions down to the Baxter limi...

متن کامل

Thermal Conductivity of Square-Well Fluids

The thermal conductivity of a system consisting of square-well particles has been determined by the extension of the Enskog formula of the hard-sphere model to square-well fluid. The approach is the same as applied for the diffusion coefficients and shear viscosity of square-well fluid. The addition of an attractive part in the hard-sphere potential such as square-well potential remains insensi...

متن کامل

Phase diagram of heteronuclear Janus dumbbells.

Using aggregation-volume-bias Monte Carlo simulations along with successive umbrella sampling and histogram re-weighting, we study the phase diagram of a system of dumbbells formed by two touching spheres having variable sizes, as well as different interaction properties. The first sphere (h) interacts with all other spheres belonging to different dumbbells with a hard-sphere potential. The sec...

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:
  • The Journal of chemical physics

دوره 128 13  شماره 

صفحات  -

تاریخ انتشار 2008