Related papers: Pressure Correction for Solvation Theories
Supercooled liquids are characterized by relaxation times that increase dramatically by cooling or compression. Many liquids have been shown to obey power-law density scaling, according to which the relaxation time is a function of density…
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…
In this paper, based on the effective intermolecular potential with well separated density and configuration contributions and the definition of the isothermal bulk modulus, we derive two similar equations of state dedicated to describe…
A new molecular simulation method for the calculation of vapour-liquid equilibria of mixtures is presented. In this method, the independent thermodynamic variables are temperature and liquid composition. In the first step, one isobaric…
Despite its relevance in biology and engineering, the molecular mechanism driving cavitation in water remains unknown. Using computer simulations, we investigate the structure and dynamics of vapor bubbles emerging from metastable water at…
We have developed a new and general theory of nonuniform fluids that naturally incorporates molecular scale information into the classical van der Waals theory of slowly varying interfaces. Here the theory is applied to the liquid-vapor…
In this work, the local pressure of fluids confined inside nanoslit pores is predicted within the framework of the density functional theory. The Euler-Lagrange equation in the density functional theory of statistical mechanics is used to…
Bernoulli's equation, which relates the pressure of an ideal fluid in motion with its velocity and height under certain conditions, is a central topic in General Physics courses for Science and Engineering students. This equation,…
We have given theoretical expressions for the forces exerted on a quasi-2D flat and smooth solid plate immersed into a liquid pool of a simple liquid. All forces given by the theory, the local forces on the top, the contact line and the…
Methods for studying droplets in models with quenched disorder are critically examined. Low energy excitations in two dimensional models are investigated by finding minimal energy interior excitations and by computing the effect of bulk…
We derive the finite-volume correction to the binding energy of an N-particle quantum bound state in a cubic periodic volume. Our results are applicable to bound states with arbitrary composition and total angular momentum, and in any…
In spite of the strong observational evidence suggesting a period of rapid expansion in the early universe, the identity of the inflaton field that drove this expansion remains elusive. Many inflaton candidate particles (both known and…
We show that generalized spherical harmonics are well suited for representing the space and orientation molecular density in the resolution of the molecular density functional theory. We consider the common system made of a rigid solute of…
In recent works, we proposed a theory of turbulence creation via the second coefficient of the virial expansion (i.e. the van der Waals effect). This theory relies, in part, on the empirically observed "equilibrated" behavior of pressure in…
The Sutherland approximation to the van der Waals forces is applied to the derivation of a self-consistent Vlasov-type field in a liquid filling a half space, bordering vacuum. The ensuing Vlasov equation is then derived, and solved to…
The dynamics of the fluid fields in a large class of causal dissipative fluid theories is studied. It is shown that the physical fluid states in these theories must relax (on a time scale that is characteristic of the microscopic particle…
We derive a priori estimates for the compressible free boundary Euler equations in the case of a liquid without surface tension. We provide a new weighted functional framework which leads to the improved regularity of the flow map by using…
We derive here, from first principles, the energy-momentum densities of a perfect fluid, in the form of an ideal molecular gas, in an inertial frame where the fluid possesses a bulk motion. We begin from the simple expressions for the…
We present a new approach to studies of bubble dynamics in fluids. Relying on particle-based simulations, this method is general and suitable for cases where the commonly used perfect fluid description fails. We study expanding true vacuum…
We study the properties of convex functionals which have been proposed for the simulation of charged molecular systems within the Poisson-Boltzmann approximation. We consider the extent to which the functionals reproduce the true…