相关论文: Generalized Coupling Parameter Expansion: Applicat…
We apply the Barker-Henderson (BH) perturbation theory to the study of a Lennard-Jones fluid confined in a random porous matrix formed by hard sphere particles. In order to describe the reference system needed in this perturbation scheme,…
In a recent paper, with Drago and Pinamonti we have introduced a Wetterich-type flow equation for scalar fields on Lorentzian manifolds, using the algebraic approach to perturbative QFT. The equation governs the flow of the effective…
The gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point…
We continue our investigation to the use of the variational method to derive flow relations for generalized Newtonian fluids in confined geometries. While in the previous investigations we used the straight circular tube geometry with eight…
The phase behavior of fluids near weakly attractive substrates is studied by computer simulations of the coexistence curve of a Lennard-Jones (LJ) fluid confined in a slitlike pore. The temperature dependence of the density profiles of the…
We further elaborate on the generalized formulation for cubic equation of state proposed by Cismondi and Mollerup [Fluid Phase Equilib. 232 (2005)]. With this formulation all well-known cubic equations of state can be described with a…
The approach of global isomorphism between the fluid and the Ising model is applied to obtain an expression for the surface tension of the Lennard-Jones fluid on the basis of the information about the Ising model. This is done in a broad…
Lott-Sturm-Villani theory of curvature on geodesic spaces has been extended to discrete graph spaces by C. L{\'e}onard by replacing W2-Wasserstein geodesics by Schr{\"o}odinger bridges in the definition of entropic curvature [23, 25, 24].…
We present a theoretical framework to investigate the microscopic structure of concentrated hard-sphere colloidal suspensions under strong shear flows by fully taking into account the boundary-layer structure of convective diffusion. We…
Lubrication theory is broadly applicable to the flow characterization of thin fluid films and the motion of particles near surfaces. We offer an extension to lubrication theory by starting with Stokes equations and considering higher-order…
The equation of state and, more generally, the thermodynamics of the Lennard-Jones fluid have long served as a benchmark problem in the statistical theory of fluids. Among available theoretical approaches, first-order perturbation theory…
A diagrammatic kinetic theory of density fluctuations in simple dense liquids at long times, described in the preceding paper, is applied to a high density Lennard-Jones liquid to calculate various equilibrium time correlation functions.…
We present an application of Wertheim's Thermodynamic Perturbation Theory (TPT1) to a simple coarse grained model made of flexibly bonded Lennard-Jones monomers. We use both the Reference Hyper-Netted-Chain (RHNC) and Mean Spherical…
In this paper, we employ graph theory to establish a connection between the Time Series Expansion (TSE) and Proper Generalized Decomposition (PGD) methods. Using the concept of a directed graph, we demonstrate how one can transition from…
In Part I of this article we generalize the Linearized Doubling (LD) approach, introduced in earlier work by NK, by proving a general theorem stating that if $\Sigma$ is a closed minimal surface embedded in a Riemannian three-manifold…
Continuing our investigation into the numerical properties of the Hierarchical Reference Theory, we study the square well fluid of range lambda from slightly above unity up to 3.6. After briefly touching upon the core condition and the…
We argue that recently proposed [Melnyk et al., Fluid Phase Equilibr., 2009, Vol. 279, 1] a criterion to split the pair interaction energy into two parts, one of which is forced to be responsible the most accurate as possible for excluded…
The mean ($\kappa$) and Gaussian ($\bar{\kappa}$) bending rigidities of liquid-liquid interfaces, of importance for shape fluctuations and topology of interfaces, respectively, are not yet established: even their signs are debated. Using…
An approximation within Wertheim's second order perturbation theory is proposed which allows for the development of a general solution for pure component fluids with an arbitrary number and functionality of association sites. The solution…
We report a theoretical and simulation study of the drying and wetting phase transitions of a truncated Lennard-Jones fluid at a flat structureless wall. Binding potential calculations predict that the nature of these transitions depends on…