Penetrable-square-well fluids: Analytical study and Monte Carlo simulations

نویسندگان
چکیده

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

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Penetrable-square-well fluids: analytical study and Monte Carlo simulations.

We study structural and thermophysical properties of a one-dimensional classical fluid made of penetrable spheres interacting via an attractive square-well potential. Penetrability of the spheres is enforced by reducing from infinite to finite the repulsive energy barrier in the pair potentials As a consequence, an exact analytical solution is lacking even in one dimension. Building upon previo...

متن کامل

Phase Behavior of the Restricted Primitive Model and Square-Well Fluids from Monte Carlo Simulations in the Grand Canonical Ensemble

Coexistence curves of square-well fluids with variable interaction width and of the restricted primitive model for ionic solutions have been investigated by means of grand canonical Monte Carlo simulations aided by histogram reweighting and multicanonical sampling techniques. It is demonstrated that this approach results in efficient data collection. The shape of the coexistence curve of the sq...

متن کامل

Optimized ensemble Monte Carlo simulations of dense Lennard-Jones fluids.

We apply the recently developed adaptive ensemble optimization technique to simulate dense Lennard-Jones fluids and a particle-solvent model by broad-histogram Monte Carlo techniques. Equilibration of the simulated fluid is improved by sampling an optimized histogram in radial coordinates that shifts statistical weight towards the entropic barriers between the shells of the liquid. Interstitial...

متن کامل

Square water as a solvent: Monte Carlo simulations

Square water takes into account the directionality of hydrogen bonds. The model is reviewed and its properties as a solvent for apolar particles are studied through Monte Carlo simulations. Specific heat measurements are used to identify phase separation. Data for comparison with the lattice gas on the square lattice are presented and the relation to non-associating solvents is discussed. Data ...

متن کامل

Multilevel Monte Carlo method for simulations of fluids

Monte Carlo methods play important part in modern statistical physics. The application of these methods suffer from two main difficulties.The first is caused by the relatively small number of particles that can participate in any numerical calculation. This means that scales larger than or comparable to the one that can be simulated are not taken into account. The second difficulty is the local...

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

ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2009

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.3236515