Fundamentals of Inhomogeneous Fluids

  title={Fundamentals of Inhomogeneous Fluids},
  author={D. Austin. Henderson},
Development of theories of inhomogeneous fluids, J.S. Rowlinson statistical mechanical sum rules, J.R. Henderson density functionals in the theory of non-uniform fluids, R. Evans integral equation theories for inhomogeneous fluids, Douglas Henderson inhomogeneous two-dimensional plasmas, B. Jancovici statistical mechanics of electrolytes at interfaces, L. Blum and Douglas Henderson wetting experiments, Carl Franck fluids between walls and in pores, Marcelo Lozada-Cassou freezing, A.D.J. Haymet… 
Modified interfacial statistical associating fluid theory: a perturbation density functional theory for inhomogeneous complex fluids.
A density functional theory based on Wertheim's first order perturbation theory is developed for inhomogeneous complex fluids and gives the exact density profile for ideal chains in an external field.
Density functional theory for inhomogeneous mixtures of polymeric fluids
A new density functional theory is developed for inhomogeneous mixtures of polymeric fluids by combining Rosenfeld’s fundamental-measure theory for excluded volume effects with Wertheim’s first-order
Density functional study of the pressure tensor for inhomogeneous Lennard—Jones fluids
Based on classical density functional theory, an expression of the pressure tensor for inhomogeneous fluids is presented. This takes into account greater correlation between particles, especially for
A fundamental-measure theory for inhomogeneous associating fluids
The fundamental-measure theory (FMT) of Rosenfeld for hard spheres is extended to inhomogeneous associating fluids on the basis of Wertheim’s first-order thermodynamic perturbation theory (TPT1). The
Simulation and Theory of Inhomogeneous Liquid Crystals
This chapter describes Monte Carlo and molecular dynamics simulations, carried out for simple models of liquid crystals. The results are compared with predictions of coarse-grained theories, based on
Modeling inhomogeneous van der Waals fluids using an analytical direct correlation function.
The first-order mean-spherical approximation (FMSA) is found to be much better than the mean-field theory for fluids near hard surfaces, and reproduces reliably the radial distribution function at its bulk limit.
Capillary Condensation in Pores with Energetically Heterogeneous Walls: Density Functional versus Monte Carlo Calculations.
Adsorption of a Lennard-Jones fluid in slit-like pores with energetically heterogeneous walls by using Grand Canonical Monte Carlo simulations and a density functional approach and discusses the discrepancies between theoretical predictions and computer simulations.
Local density augmentation in attractive supercritical solutions: Inhomogeneous fluid approach
We study the local solute–solvent structure in supercritical solutions, using as a model system a dilute Lennard-Jones solute in a supercritical Lennard-Jones fluid. The study is focused on
Non-local kinetic theory of inhomogeneous liquid mixtures
In this work we investigate the dynamical properties of a mixture of mutually interacting spherical molecules of different masses and sizes. From an analysis of the microscopic laws governing the


The elastic constants of condensed matter: A direct‐correlation function approach
We describe a simple, systematic and physically transparent method for calculating the elastic constants of condensed matter. This approach is equally useful when applied to such diverse materials as
A molecular theory of the solid–liquid interface. II. Study of bcc crystal–melt interfaces
We have extended and applied our previously developed order parameter theory for the solid–liquid interface [J. Chem. Phys. 74, 2559 (1981)]. We show how the differential equations for interfacial
Inhomogeneous Coulomb fluids with image interactions between planar surfaces. II. On the anisotropic hypernetted chain approximation
The physical assumptions underlying the anisotropic hypernetted chain (HNC) closure for the pair correlations in inhomogeneous fluids and the accompanying equation for the density distribution are
A molecular theory of crystal nucleation from the melt
We construct a molecular theory for the homogeneous nucleation of crystals from pure liquids by combining an order parameter theory of freezing with a square gradient approximation for the nonlocal
Binary homogeneous nucleation theory for the gas–liquid transition: A nonclassical approach
We have employed density functional theory to study gas–liquid nucleation in binary fluids. Effects of surface enrichment and curvature are naturally included in this novel statistical mechanical
The quasi‐two‐dimensional regime of fluids absorbed in porous media
We investigate the one‐body structure of fluids confined within model pores when the confinement is sufficient to force the fluid into a quasi lower‐dimensional regime. The concept of the
Inhomogeneous Coulomb fluids with image interactions between planar surfaces. I
Description of Coulomb particles near a surface is complicated by the effect of the surface on the ion–ion correlations, the electrostatic images (if the surface is a dielectric boundary), and the
Theory of the Diffuse Double Layer
The charge moment expansion for potentials of mean force acting between the ions of an electrolyte is reviewed in a form applicable to surface phases. An integral equation is in this manner derived
On the properties of inhomogeneous charged systems
We give a proof and an extension of equations previously derived by Wertheim and Lovett, Mou and Buff, relating the gradient of the density to an integral of the external force over the pair
Charge distribution and kinetic pressure in a plasma : a soluble model
For a classical two-dimensional one-component plasma (with a logarithmic interaction), the onebody density can be calculated exactly when the coupling constant has the special value 0393 = 2. The