Thermodynamic consistency between the energy and virial routes in the mean spherical approximation for soft potentials.

نویسنده

  • Andrés Santos
چکیده

It is proven that, for any soft potential φ(r) characterized by a finite Fourier transform e φ(k), the virial and energy thermodynamic routes are equivalent if the Fourier transform of the total correlation function divided by the density ρ, eh(k)/ρ, is an arbitrary function of ρβ e φ(k), where β is the inverse temperature. This class of approximations includes the mean spherical approximation as a particular case.

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

Thermodynamic consistency of energy and virial routes: an exact proof within the linearized Debye-Hückel theory.

The linearized Debye-Hückel theory for liquid state is shown to provide thermodynamically consistent virial and energy routes for any potential and for any dimensionality. The importance of this result for bounded potentials is discussed.

متن کامل

Thermodynamically self-consistent liquid state theories for systems with bounded potentials.

The mean spherical approximation (MSA) can be solved semianalytically for the Gaussian core model (GCM) and yields exactly the same expressions for the energy and the virial equations. Taking advantage of this semianalytical framework, we apply the concept of the self-consistent Ornstein-Zernike approximation (SCOZA) to the GCM: a state-dependent function K is introduced in the MSA closure rela...

متن کامل

Thermodynamic properties of a polydisperse system.

We use the virial theorem to derive a closed analytic form of the Helmholtz free energy for a polydisperse system of sticky hard spheres (SHS) within the mean spherical model (MSM). To this end we calculate the free energy of the MSM for an N-component mixture of SHS via the virial route and apply to it-after imposing a Lorentz-Berthelot type rule on the interactions-the stochastic (i.e., polyd...

متن کامل

Modeling thermodynamic properties of electrolytes: Inclusion of the mean spherical approximation (MSA) in the simplified SAFT equation of state

In this work, an equation of state has been utilized for thermodynamic modeling of aqueous electrolyte solutions. The proposed equation of state is a combination of simplified statistical associating fluid theory (SAFT) equation of state (similar to simplified PC-SAFT) to describe the effect of short-range interactions and mean spherical approximation (MSA) term to describe the effect of long-r...

متن کامل

An Evaluation of Four Electrolyte Models for the Prediction of Thermodynamic Properties of Aqueous Electrolyte Solutions

In this work, the performance of four electrolyte models for prediction the osmotic and activity coefficients of different aqueous salt solutions at 298 K, atmospheric pressure and in a wide range of concentrations are evaluated. In two of these models, (electrolyte Non-Random Two-Liquid e-NRTL and Mean Spherical Approximation-Non-Random Two-Liquid MSA-NRTL), association between ions of opposit...

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 126 11  شماره 

صفحات  -

تاریخ انتشار 2007