Related papers: The square-well fluid: a thermodynamic geometric v…
In this work we examine thermodynamics of fluid with "molecules" represented by two fused hard spheres, decorated by the attractive square-well sites. Interactions between these sites are of short-range and cause association between the…
In the study of fluid phases, the Ruppeiner geometry provides novel ways for constructing the phase boundaries (known as the $R$-crossing method) and the Widom line, which is considered by many to be the continuation of the coexistence…
The one-dimensional penetrable-square-well fluid is studied using both analytical tools and specialized Monte Carlo simulations. The model consists of a penetrable core characterized by a finite repulsive energy combined with a short-range…
The thermodynamic Ricci curvature scalar $R$ has been applied in a number of contexts, mostly for systems characterized by 2D thermodynamic geometries. Calculations of $R$ in thermodynamic geometries of dimension three or greater have been…
Using molecular-dynamics simulation, we have calculated the interfacial free energy, \gamma, between a hard-sphere fluid and hard spherical and cylindrical colloidal particles, as functions of the particle radius R and the fluid packing…
Recently, new insights in the relation between the geometry of the vessel that confines a fluid and its thermodynamic properties were traced through the study of cluster integrals for inhomogeneous fluids. In this work I analyze the…
The swirling secondary flow in curved pipes is studied in three-space dimensions using a weakly compressible Smoothed Particle Hydrodynamics (WCSPH) formulation coupled to new non-reflecting outflow boundary conditions. A large-eddy…
The exact statistical-mechanical solution for the equilibrium properties, both thermodynamic and structural, of one-dimensional fluids of particles interacting via the triangle-well and the ramp potentials is worked out. In contrast to…
Using molecular dynamics simulations, we study a liquid model which consists of particles interacting via a spherically-symmetric two-scale Jagla ramp potential with both repulsive and attractive ramps. The Jagla potential displays…
Accurate descriptions of reference systems are a central task in liquid-state theories for the study of more complex systems. Using scaled particle theory (SPT), we derive a fully analytical description of the thermodynamic properties of a…
The Ornstein-Zernike equation is solved for the hard-sphere and square-well fluids using a diverse selection of closure relations; the attraction range of the square-well is chosen to be $\lambda=1.5.$ In particular, for both fluids we…
We consider a fluid of $d$-dimensional spherical particles interacting via a pair potential $\phi(r)$ which takes a finite value $\epsilon$ if the two spheres are overlapped ($r<\sigma$) and 0 otherwise. This penetrable-sphere model has…
An overview of some analytical approaches to the computation of the structural and thermodynamic properties of single component and multicomponent hard-sphere fluids is provided. For the structural properties, they yield a thermodynamically…
We study information geometry of the thermodynamics of first and second order phase transitions, and beyond criticality, in magnetic and liquid systems. We establish a universal microscopic characterization of such phase transitions via the…
State space geometry is obtained for the one dimensional Blume Emery Griffiths model and the associated scalar curvature(s) investigated for various parameter regimes, including the Blume-Capel limit and the Griffiths model limit. For the…
The explicit relations between the thermodynamic functions of the Lattice Gas model and the fluid within the framework of approach proposed earlier in [V. L. Kulinskii, J. Phys. Chem. B \textbf{114} 2852 (2010)] are derived. It is shown…
Liquid water has anomalous liquid properties, such as its density maximum at 4\degree C. An attempt at theoretical explanation proposes a liquid-liquid phase transition line in the supercooled liquid state, with coexisting low-density (LDL)…
The thermodynamic behavior of a fluid near a vapor-liquid and, hence, asymmetric critical point is discussed within a general ``complete'' scaling theory incorporating pressure mixing in the nonlinear scaling fields as well as corrections…
A comparison of simulation results with the prediction of the structural properties of square-shoulder fluids is carried out to assess the performance of three theories: Tang--Lu's first-order mean spherical approximation, the simplified…
I evaluate the thermodynamic curvature $R$ for fourteen pure fluids along their liquid-vapor coexistence curves, from the critical point to the triple point, using thermodynamic input from the NIST Chemistry WebBook. In this broad overview,…