Related papers: Criticality in Charge-asymmetric Hard-sphere Ionic…
The equilibrium density profiles in a classical multicomponent plasma near a hard wall made with a dielectric material characterized by a relative dielectric constant $\ew$ are studied from the first Born-Green-Yvon equation combined with…
The Debye-H\"uckel equation is a fundamental physical model in chemical thermodynamics that describes the free energy (chemical potential, activity) of an ion in electrolyte solutions at variable salt concentration, temperature, and…
The structure of polar liquids and electrolytic solutions, such as water and aqueous electrolytes, at interfaces underlies numerous phenomena in physics, chemistry, biology, and engineering. In this work, we develop a continuum theory that…
A theoretical study of the structural and electronic properties of the chloride ion and water molecules in the first hydration shell is presented. The calculations are performed on an ensemble of configurations obtained from molecular…
In spite of a large number of papers published in the last twenty years in the literature, the basic model of liquid water is still controversial. We have measured the dielectric permittivity of pure water and aqueous chlorides solutions in…
In a cluster crystal, each lattice site is occupied by multiple soft-core particles. As the number density is increased at zero temperature, a `cascade' of isostructural phase transitions can occur between states whose site occupancy…
In this work a novel method to evaluate the liquid-vapor critical temperature using a generalization of the Microcanonical-ensemble computer simulation method (MCE) is presented. The isotherms of the chemical potential versus densities are…
The short-range correlations are considered for a two-dimensional hard-core boson model on square lattice within Bethe approximation for the clusters consisting of two and four sites. Explicit equations are derived for the critical…
Approximate theories for the restricted primitive model electrolyte are compared in the light of Totsuji's lower bound for the energy (an improvement over Onsager's), Gillan's upper bound for the free energy, and thermal stability…
We test the performance of a recently proposed fundamental measure density functional of aligned hard cylinders by calculating the phase diagram of a monodisperse fluid of these particles. We consider all possible liquid crystalline…
We calculate for the first time the full phase-diagram of an asymmetric non-additive hard-sphere mixture. The non-additivity strongly affects the crystallization and the fluid-fluid phase-separation. The global topology of the phase-diagram…
A new theoretical approach to 1:1 electrolytes at low temperature is developed, RPM and SAPM are studied with this approach, and their critical points of first order phase transition are calculated. The result is in very good agreement with…
The structure of dilute electrolyte solutions close to a surface carrying a spatially inhomogeneous surface charge distribution is investigated by means of classical density functional theory (DFT) within the approach of fundamental measure…
Critical phenomena in real fluids demonstrate a combination of universal features caused by the divergence of long-range fluctuations of density and nonuniversal (system-dependent) features associated with specific intermolecular…
In the framework of the van-der-Waals model, analytical expressions for the locus of extrema (ridges) for heat capacity, thermal expansion coefficient, compressibility, density fluctuation, and sound velocity in the supercritical region…
Equilibrium particle densities near a hard wall are studied for a quantum fluid made of point charges which interact via Coulomb potential without any regularization. In the framework of the grand-canonical ensemble, we use an equivalence…
We explore the equilibrium properties of a system composed of dipolar hard spheres. A new theory based on the ideas derived from the work of Debye and H\"uckel, Bjerrum, and Onsager is proposed to explain the absence of the anticipated…
The recent experimental study by means of time-resolved luminescence measurements of an electron-hole liquid (EHL) in diamond by Shimano et al. [Phys. Rev. Lett. 88 (2002) 057404] prompts us to compare and contrast critical temperature T_c…
According to recent progress in the finite size scaling theory of critical disordered systems, the nature of the phase transition is reflected in the distribution of pseudo-critical temperatures $T_c(i,L)$ over the ensemble of samples $(i)$…
Employing simplified models in computer simulation is on the one hand often enforced by computer time limitations but on the other hand it offers insights into the molecular properties determining a given physical phenomenon. We employ this…