Related papers: Liquid-vapor coexistence in square-well fluids: an…
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…
We present a particle method for estimating the curvature of interfaces in volume-of-fluid simulations of multiphase flows. The method is well suited for under-resolved interfaces, and it is shown to be more accurate than the parabolic…
We propose a model describing liquid-solid phase coexistence in mixed lipid membranes by including explicitly the occurrence of a rippled phase. For a single component membrane, we employ a previous model in which the membrane thickness is…
The phase behavior of a system composed of spherical particles with a monomodal size distribution is investigated theoretically within the context of the van der Waals approximation for polydisperse fluids. It is shown how the binodals,…
We study liquid-vapor phase separation under shear via the Shan-Chen lattice Boltzmann model. Besides the rheological characteristics, we analyze the Kelvin-Helmholtz(K-H) instability resulting from the tangential velocity difference of the…
Enskog-Vlasov equation is currently the most sophisticated kinetic model for describing non-equilibrium evaporative flows. While it enables more efficient simulations than the molecular dynamics (MD) methods, its accuracy in reproducing the…
We evaluate thermodynamic, geometric and dynamic properties of a short-ranged square well binary mixture to provide a coherent picture of this simple, but rich, model for colloidal interactions. In particular, we compare the location, in…
We report an analysis of the stretching peak appearing in the IR experimental spectra of liquid water. In the literature, ATR-IR spectroscopic measurements were repeatedly performed in a wide range of temperature and gave rise to a lively…
Linear square-well Schr\"{o}dinger equation endowed with a singular logarithmic spike in the origin is studied. The study is methodical, motivated by the problem of non-gausson states $\psi_n(x)$, $n \neq 0$ generated by nonlinear…
A fundamental difficulty of studying gas-liquid pipe flows is the prediction of the occurrence and characteristics of the slug flow regime, which plays a crucial role in the safety design of oil pipelines. Current empirical methods and…
We evaluate the free energy of the fluid and crystal phases for the ST2 potential [F.H. Stillinger and A. Rahman, J. Chem. Phys. 60, 1545 (1974)] with reaction field corrections for the long-range interactions. We estimate the phase…
Carbon dioxide (CO2) hydrates hold promising applications in capturing and separating CO2 for climate change mitigation. Understanding their behavior at the molecular level is therefore essential, and computer simulations have become…
The finite square potential well is a staple problem in introductory quantum mechanics. There is an extensive literature on the determination of the allowed energies, which requires the solution of a transcendental equation by numerical,…
We construct a boundary integral representation for the low-Reynolds-number flow in a channel in the presence of freely-suspended particles (or droplets) of arbitrary size and shape. We demonstrate that lubrication theory holds away from…
We study the transition between sharp and smooth density distributions at the edges of Quantum Hall Liquids in the presence of interactions. We find that, for strong confining potentials, the edge of a $\nu=1$ liquid is described by the…
We construct a mesoscale model of colloidal suspensions that contain solutes reversibly adsorbing onto the colloidal particle surfaces. The present model describes the coupled dynamics of the colloidal particles, the host fluid, and the…
Pair distributions of fluids confined between two surfaces at close distance are of fundamental importance for a variety of physical, chemical, and biological phenomena, such as interactions between macromolecules in solution, surface…
We use supervised machine learning together with the concepts of classical density functional theory to investigate the effects of interparticle attraction on the pair structure, thermodynamics, bulk liquid-gas coexistence, and associated…
We analyze, without resort to any model field-mixing scheme, the leading temperature-dependent term in the "diameter" of the coexistence curve asymptotically close to the vapor-liquid critical point. For this purpose, we use a simple…
Two liquid state theories, the self-consistent Ornstein-Zernike equation (SCOZA) and the hierarchical reference theory (HRT) are shown, by comparison with Monte Carlo simulations, to perform extremely well in predicting the liquid-vapour…