Related papers: Integral equations for simple fluids in a general …
For general relativistic spacetimes filled with an irrotational perfect fluid a generalized form of Friedmann's equations governing the expansion factor of spatially averaged portions of inhomogeneous cosmologies is derived. The averaging…
Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…
We use molecular dynamics simulations to study the behavior of a compressible Lennard-Jones fluid in simple shear flow in a two-dimensional nanochannel. The system is equilibrated in the fluid phase close to the triple point at which gas,…
The well-known Wall theorem states a simple and precise relation among temperature, pressure and density of a fluid at contact with a confining hard wall in thermodynamic equilibrium. In this Letter we develop an extension of the Wall…
We analyze the structure of the Fundamental Measure Theory for the free energy density functional of hard sphere mixtures. A comparative study of the different versions of the theory, and other density functional approaches, is done in…
We construct a microscopic theory of applying a heat flow from thermostatted boundary walls in the film geometry. We treat a classical one-component fluid, but our method is applicable to any fluids and solids. We express linear response of…
For the problem of molecular solvation, formulated as a liquid submitted to the external potential field created by a molecular solute of arbitrary shape dissolved in that solvent, we draw a connection between the Gaussian field theory…
We present a thermodynamic theory of plane coherent solid-solid interfaces in multicomponent systems subject to nonhydrostatic mechanical stresses. The interstitial and substitutional chemical components are treated separately using…
In the spirit of the White-Bear version of fundamental measure theory we derive a new density functional for hard-sphere mixtures which is based on a recent mixture extension of the Carnahan-Starling equation of state. In addition to the…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
We prove that there exists a~large-data and global-in-time weak solution to a~system of partial differential equations describing an unsteady flow of an incompressible heat-conducting rate-type viscoelastic stress-diffusive fluid filling up…
Mass transport of a driven granular binary mixture is analyzed from the inelastic Boltzmann kinetic equation for inelastic Maxwell models (IMM). The mixture is driven by a thermostat constituted by two terms: a stochastic force and a drag…
We use density functional theory to investigate adsorption of liquid mixtures on solid surfaces modified with end-grafted chains. The chains are modelled as freely joined spheres. The fluid molecules are spherical. All spherical species…
We introduce a simple model of the time evolution of a binary mixture of compressible fluids including the thermal effects. Despite its apparent simplicity, the model is thermodynamically consistent admitting an entropy balance equation. We…
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…
Classical density functional theory (DFT) is the primary method for investigations of inhomogeneous fluids in external fields. It requires the excess Helmholtz free energy functional as input to an Euler-Lagrange equation for the one-body…
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…
The calculation of the interfacial free energy between two thermodynamic phases is crucial across various fields, including materials science, chemistry, and condensed matter physics. In this study, we apply an existing thermodynamic…
A multicomponent extension of our recent theory of simple fluids [ U.M.B. Marconi and S. Melchionna, Journal of Chemical Physics, 131, 014105 (2009) ] is proposed to describe miscible and immiscible liquid mixtures under inhomogeneous, non…
The continuum equations of fluid mechanics are rederived with the intention of keeping certain mechanical and thermodynamic concepts separate. A new "mechanical" mass density is created to be used in computing inertial quantities, whereas…