相关论文: Gas-liquid critical point of the ultrasoft restric…
We introduce an ultrasoft core model of interpenetrating polycations and polyanions with continuous Gaussian charge distributions, to investigate polyelectrolyte aggregation in dilute and semi-dilute, salt-free solutions. The model is…
We study the critical behavior of the systems dominated by Coulombic interaction. For this purpose we used the method of collective variables with a reference system. Starting from the Hamiltonian of the restricted primitive model (RPM),…
We present a Monte-Carlo study of the liquid-vapor transition and the critical behavior of a model of polyelectrolytes with soft gaussian charge distributions introduced recently by Coslovich, Hansen, and Kahl [J. Chem. Phys. \textbf{134},…
Based on the method of collective variables we develop the statistical field theory for the study of a simple charge-asymmetric $1:z$ primitive model (SPM). It is shown that the well-known approximations for the free energy, in particular…
The constant-volume heat capacity, C_V(T, rho), of the restricted primitive model (RPM) electrolyte is considered in the vicinity of its critical point. It is demonstrated that, despite claims, recent simulations for finite systems do not…
The 1:1 equisized hard-sphere electrolyte or restricted primitive model has been simulated via grand-canonical fine-discretization Monte Carlo. Newly devised unbiased finite-size extrapolation methods using temperature-density, (T, rho),…
We study the vapour-liquid phase behaviour of an ionic fluid confined in a random porous matrix formed by uncharged hard sphere particles. The ionic fluid is modelled as an equimolar binary mixture of oppositely charged equisized hard…
Grand canonical simulations at various levels, $\zeta=5$-20, of fine- lattice discretization are reported for the near-critical 1:1 hard-core electrolyte or RPM. With the aid of finite-size scaling analyses it is shown convincingly that,…
Using the collective variables theory, we study the effect of competition between Coulomb and dispersion forces on the gas-liquid phase behaviour of a model ionic fluid, i.e. a charge-asymmetric primitive model with additional short-range…
Recently we proposed a microscopic approach to the description of the phase behaviour and critical phenomena in binary fluid mixtures. It was based on the method of collective variables (CV) with a reference system. The approach allowed us…
Lattice models are crucial for studying thermodynamic properties in many physical, biological and chemical systems. We investigate Lattice Restricted Primitive Model (LRPM) of electrolytes with different discretization parameters in order…
Reassessment of the critical temperature and density of the restricted primitive model of an ionic fluid by Monte Carlo simulations performed for system sizes with linear dimension up to $L/\sigma=34$ and sampling of $\sim 10^9$ trial moves…
We use computer simulations to investigate the extended phase diagram of a supercooled liquid linearly coupled to a quenched reference configuration. An extensive finite-size scaling analysis demonstrates the existence of a random-field…
A generalized Anderson single-impurity model with off-site Coulomb interactions is derived from the extended three-band Hubbard model, originally proposed to describe the physics of the copper-oxides. Using the abelian bosonization…
We evaluate the location of the gas-liquid coexistence line and of the associated critical point for the primitive model for water (PMW), introduced by Kolafa and Nezbeda [J. Kolafa and I. Nezbeda, Mol. Phys. 61, 161 (1987)]. Besides being…
Using the collective variables method we revisit the estimates of the Ginzburg temperature for the Coulomb-dominated models of ionic fluids. We consider the charge-asymmetric primitive model supplemented by short-range attractive…
Using a liquid-state approach based on Ornstein-Zernike equations, we study the behavior of a fluid inside a porous disordered matrix near the liquid-gas critical point.The results obtained within various standard approximation schemes such…
The problem of successfully simulating ionic fluids at low temperature and low density states is well known in the simulation literature: using conventional methods, the system is not able to equilibrate rapidly due to the presence of…
Linearly-sloped or `ramp' potentials belong to a class of core-softened models which possess a liquid-liquid critical point (LLCP) in addition to the usual liquid-gas critical point. Furthermore they exhibit thermodynamic anomalies in the…
The behavior of fluids in the vicinity of the liquid-gas critical point is studied within the cell fluid model framework. The analytic method for deriving the equation of state of a cell fluid model in the low-temperature region (T<Tc) is…