Related papers: Chemical-potential route for multicomponent fluids
The direct correlation function of a fluid mixture of parallel hard cubes is obtained by using Rosenfeld's fundamental measure approximation. This approximation is thermodynamically consistent (compressibility and virial equations of state…
We investigate the multi-chain version of the Chemical Master Equation, when there are transitions between different states inside the long chains, as well as transitions between (a few) different chains. In the discrete version, such a…
Structural and thermodynamic properties of multicomponent hard-sphere fluids at odd dimensions have recently been derived in the framework of the rational function approximation (RFA) [Rohrmann and Santos, Phys. Rev. E \textbf{83}, 011201…
Theoretical aspects of polymers in mixed solvents are considered using the Edwards Hamiltonian formalism. Thermodynamic and structural properties are investigated and some predictions are made when the mixed solvent approaches criticality.…
We study the three-dimensional compressible Navier-Stokes equations coupled with the $Q$-tensor equation perturbed by a multiplicative stochastic force, which describes the motion of nematic liquid crystal flows. The local existence and…
The hybrid form is a combination of the Rydberg potential and the London inverse-sixth-power energy. It is accurate at all relevant distance scales and simple enough for use in all-atom simulations of biomolecules. One may compute the…
In this paper a generalization of the Cahn-Hilliard theory of binary liquids is presented for multi-component incompressible liquid mixtures. First, a thermodynamically consistent convection-diffusion type dynamics is derived on the basis…
We study the weak solvability of a nonlinearly coupled system of parabolic and pseudo-parabolic equations describing the interplay between mechanics, chemical reactions, diffusion and flow in a mixture theory framework. Our approach relies…
In a series of publications the Cummings-Stell model (CSM), for a binary mixture of associative fluids with steric effects, has been solved analytically using the Percus-Yevick approximation (PYA). The solution consists in a square well…
The existence of large-data weak solutions to a steady compressible Navier-Stokes-Fourier system for chemically reacting fluid mixtures is proved. General free energies are considered satisfying some structural assumptions, with a pressure…
The hard-sphere potential has become a cornerstone in the study of both molecular and complex fluids. Despite its mathematical simplicity, its implementation in fixed time-step molecular simulations remains a formidable challenge due to the…
A general diffuse interface model with a realistic equation of state (e.g. Peng-Robinson equation of state) is proposed to describe the multi-component two-phase fluid flow based on the principles of the NVT-based framework which is a…
The viscosity and self-diffusion constant of particle-based mesoscale hydrodynamic methods, multi-particle collision dynamics (MPC) and dissipative particle dynamics (DPD), are investigated, both with and without angular-momentum…
Integral equation of pure liquids, combined with a new "scaling approximation" based on a corresponding states treatment of pair correlation functions, is used to evaluate approximate structure factors for colloidal fluids constituted of…
Interacting particle systems in a finite-volume in equilibrium are often described by a grand-canonical ensemble induced by the corresponding Hamiltonian, i.e. a finite-volume Gibbs measure. However, in practice, directly measuring this…
We use molecular dynamics simulations to test integral equation theory predictions for the structure of fluids of spherical particles with eight different piecewise-constant pair interaction forms comprising a hard core and a combination of…
A previously proposed [X. Shan and H. Chen, Phys. Rev. E {\bf 47}, 1815, (1993)] lattice Boltzmann model for simulating fluids with multiple components and interparticle forces is described in detail. Macroscopic equations governing the…
We consider a system of nonlinear partial differential equations modeling the unsteady motion of an incompressible generalized Newtonian fluid with chemical reactions. The system consists of the generalized Navier-Stokes equations with…
We study the $Y(2175)$ using the method of QCD sum rules. There are two independent $ss\bar s\bar s$ interpolating currents with $J^{PC} = 1^{--}$, and we calculate both their diagonal and off-diagonal correlation functions. We obtain two…
Detailed calculations of the transport coefficients of a recently introduced particle-based model for fluid dynamics with a non-ideal equation of state are presented. Excluded volume interactions are modeled by means of biased stochastic…