Related papers: Non-equilibrium evaporation/condensation model
We present an accurate equation of state for water based on a simple microscopic Hamiltonian, with only four parameters that are well-constrained by bulk experimental data. With one additional parameter for the range of interaction, this…
The thermodynamic approach to non-equilibrium dynamics describes the state of macroscopic systems by means of a collection of intensities or intensive variables. The latter are by definition the differentials of the entropy with respect to…
Construction of a nonlinear higher-order thermo-hydrodynamics, including correlations, in the framework of a Generalized Nonequilibrium Statistical Grand-Canonical Ensemble is presented. In that way it is provided a particular formalism for…
In this paper, diffusion in polymer solutions undergoing evaporation of solvent is modeled as a coupled heat and mass transfer problem with moving boundary condition within the framework of nonequilibrium thermodynamics. The proposed…
In this work, the artificial recirculation of water is presented and analyzed, from the perspective of the optimal control of partial differential equations, as a tool to prevent eutrophication effects in large waterbodies. A novel…
We consider the problem of energy decay rates for nonlinearly damped abstract infinite dimensional systems. We prove sharp, simple and quasi-optimal energy decay rates through an indirect method, namely a weak observability estimate for the…
We establish three partial differential equation models describing the thermodynamics of the fluid, by combining the energetic variational approach, appropriate constitutive relations, and classical thermodynamics laws. What is more, by…
We study the steady state of a three-level system in contact with a non-equilibrium environment, which is composed of two independent heat baths at different temperatures. We derive a master equation to describe the non-equilibrium process…
We modelled the aqueous solvation of a nonpolar solute as a function of the radius, temperature and pressure. In this study a simple two-dimensional Mercedes-Benz (MB) water model was used in NPT Monte Carlo simulations. This model has…
We initially prepare a quantum linear oscillator weakly coupled to a bath in equilibrium at an arbitrary temperature. We disturb this system by varying a Hamiltonian parameter of the coupled oscillator, namely, either its spring constant or…
We propose an open-boundary molecular dynamics method in which an atomistic system is in contact with an infinite particle reservoir at constant temperature, volume and chemical potential. In practice, following the Hamiltonian adaptive…
We study mixed finite element methods for the rotating shallow water equations with linearized momentum terms but nonlinear drag. By means of an equivalent second-order formulation, we prove long-time stability of the system without energy…
The dynamics of a quantum system coupled to a classical environment and subject to constraints that drive it out of equilibrium is described. The evolution of the system is governed by the quantum-classical Liouville equation. Rather than…
Systems of reaction-diffusion equations are commonly used in biological models of food chains. The populations and their complicated interactions present numerous challenges in theory and in numerical approximation. In particular,…
A system of two coupled oscillators, each of them coupled to an independent reservoir, is analysed. The analytical solution of the non-rotating wave master equation is obtained in the high-temperature and weak coupling limits. No thermal…
Self-propulsion allows living systems to display unusual collective behavior. Unlike passive systems in thermal equilibrium, active matter systems are not constrained by conventional thermodynamic laws. A question arises however as to what…
We present an energy-stable scheme for numerically approximating the governing equations for incompressible two-phase flows with different densities and dynamic viscosities for the two fluids. The proposed scheme employs a scalar-valued…
In this work, we consider the One-Fluid Two-Temperature Euler (OFTT-Euler) equations used for modeling non-equilibrium hydrodynamics. The model comprises a system of nonlinear hyperbolic partial differential equations with non-conservative…
The present study concerns the numerical homogenization of second order hyperbolic equations in non-divergence form, where the model problem includes a rapidly oscillating coefficient function. These small scales influence the large scale…
We numerically investigate the effect of non-condensable gas inside a vapor bubble on bubble dynamics, collapse pressure and pressure impact of spherical and aspherical bubble collapses. Free gas inside a vapor bubble has a damping effect…