Mass transport in a nonisothermal binary molecular mixture is systematically discussed in terms of nonequilibrium thermodynamics, which for the first time allows a consistent and unambiguous description of the process. The thermodyanmic and hydrodynamic approaches are compared, revealing that nonequilibrium thermodynamics and physicochemcial hydrodynamics yield essentially the same result for molecular systems. The applicability limits for the proposed version of the thermodynamic approach are determined for large particles
We study thermal diffusion in binary mixtures in the framework of non-equilibrium thermodynamics. Ou...
Accurate models for multicomponent transport are a prerequisite for the design of many industrial pr...
International audienceThe assumption of local equilibrium is validated in four different systems whe...
The material transport equations derived by non-equilibrium thermodynamics are used to describe the ...
This chapter outlines a theoretical framework for the microscopic approach to material transport in ...
Computer Simulation Studies were carried out using the method of equilibrium and nonequilibrium mole...
We present a model that explains variance in the thermodiffusion of hydrocarbon isomers in binary li...
Molecular Thermodynamics of Nonideal Fluids serves as an introductory presentation for engineers to ...
An approach to the transport of material in a temperature gradient is outlined using nonequilibrium ...
We consider viscous, heat-conducting mixtures of molecularly miscible chemical species forming a flu...
In this thesis we used non-equilibrium molecular dynamics (NEMD) to study non-equilibrium behaviors ...
Equilibrium and nonequilibrium molecular dynamics simulations are combined to compute the full set o...
Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irr...
This thesis presents a class of homogeneous non-equilibrium molecular dynamics (HNEMD) methods for o...
International audienceWe calculate transport properties of a reacting mixture of F and F2 from resul...
We study thermal diffusion in binary mixtures in the framework of non-equilibrium thermodynamics. Ou...
Accurate models for multicomponent transport are a prerequisite for the design of many industrial pr...
International audienceThe assumption of local equilibrium is validated in four different systems whe...
The material transport equations derived by non-equilibrium thermodynamics are used to describe the ...
This chapter outlines a theoretical framework for the microscopic approach to material transport in ...
Computer Simulation Studies were carried out using the method of equilibrium and nonequilibrium mole...
We present a model that explains variance in the thermodiffusion of hydrocarbon isomers in binary li...
Molecular Thermodynamics of Nonideal Fluids serves as an introductory presentation for engineers to ...
An approach to the transport of material in a temperature gradient is outlined using nonequilibrium ...
We consider viscous, heat-conducting mixtures of molecularly miscible chemical species forming a flu...
In this thesis we used non-equilibrium molecular dynamics (NEMD) to study non-equilibrium behaviors ...
Equilibrium and nonequilibrium molecular dynamics simulations are combined to compute the full set o...
Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irr...
This thesis presents a class of homogeneous non-equilibrium molecular dynamics (HNEMD) methods for o...
International audienceWe calculate transport properties of a reacting mixture of F and F2 from resul...
We study thermal diffusion in binary mixtures in the framework of non-equilibrium thermodynamics. Ou...
Accurate models for multicomponent transport are a prerequisite for the design of many industrial pr...
International audienceThe assumption of local equilibrium is validated in four different systems whe...