Related papers: Chemical-potential route for multicomponent fluids
The calculation of chemical potential has traditionally been a challenge in atomistic simulations. One of the most used approaches is Widom's insertion method in which the chemical potential is calculated by periodically attempting to…
A generalization of the quantum van der Waals equation of state for a multi-component system in the grand canonical ensemble is proposed. The model includes quantum statistical effects and allows to specify the parameters characterizing…
Integral equation theory of molecular liquids based on statistical mechanics is quite promising as an essential part of multiscale methodology for chemical and biomolecular nanosystems in solution. Beginning with a molecular interaction…
We use molecular dynamics simulation results on viscous binary Lennard-Jones mixtures to examine the correlation between the potential energy and the virial. In accord with a recent proposal [U. R. Pedersen et. al. Phys. Rev. Lett. 100,…
In this paper, we propose a new finite element solution approach to the multi-compartmental Darcy equations describing flow and interactions in a porous medium with multiple fluid compartments. We introduce a new numerical formulation and a…
We extend the derivation of second-order relativistic viscous hydrodynamics to incorporate the effects of baryon current, a non-vanishing chemical potential, and a realistic equation of state. Starting from a microscopic quantum theory, we…
Spatially extended stationary and traveling states in the strongly nonlinear regime of convection in layers of binary fluid mixtures heated from below are described by a few-mode-model. It is derived from the proper hydrodynamic balance…
We represent the free energy functional by a diagrammatic series with tensorial coefficients indexed by powers of length scale. For hard cores, we obtain Percus' exact functional in one dimension and the Kierlik-Rosinberg form of…
We discuss structural and thermodynamical properties of Baxter's adhesive hard sphere model within a class of closures which includes the Percus-Yevick (PY) one. The common feature of all these closures is to have a direct correlation…
Using the exactly solvable Gross-Neveu model as theoretical laboratory, we analyse in detail the relationship between a relativistic quantum field theory at real and imaginary chemical potential. We find that one can retrieve the full…
In this paper, we extend our study of mass transport in multicomponent isothermal fluids to the incompressible case. For a mixture, incompressibility is defined as the independence of average volume on pressure, and a weighted sum of the…
A proposal to link the equation of state of a monocomponent hard-disk fluid to the equation of state of a polydisperse hard-disk mixture is presented. Event-driven molecular dynamics simulations are performed to obtain data for the…
A theory for chemical reaction dynamics in condensed phase systems based on the generalized Langevin formalism of Grote and Hynes is presented. A microscopic approach to calculate the dynamic friction is developed within the framework of a…
Density (or state) dependent pair potentials arise naturally from coarse-graining procedures in many areas of condensed matter science. However, correctly using them to calculate physical properties of interest is subtle and cannot be…
The composition-independent virial coefficients of a $d$-dimensional binary mixture of (additive) hard hyperspheres following from a recent proposal for the equation of state of the mixture [Santos, A., Yuste, S. B., and L\'opez de Haro,…
The recently proposed effective potential theory [Phys. Rev. Lett. 110, 235001 (2013)] allows evaluating transport in coupled plasmas with the well-developed formalisms for systems with binary collisions. To facilitate practical…
The two-body interaction in dilute solutions of polymer chains in good solvents can be modeled by means of effective bounded potentials, the simplest of which being that of penetrable spheres (PSs). In this paper we construct two simple…
The interest in the description of the properties of fluids of restricted dimensionality is growing for theoretical and practical reasons. In this work, we have firstly developed an analytical expression for the Helmholtz free energy of the…
Pattern formation in soft, active, and biological matter is described by two ostensibly distinct continuum frameworks: phase-field theories driven by chemical-potential gradients, and mass-conserving reaction-diffusion (McRD) dynamics…
The liquid-gas density ratio is a key property of multiphase flow methods to model real fluid systems. Here, a chemical-potential multiphase lattice Boltzmann method is constructed to realize extremely large density ratios. The simulations…