Add to ORKGWe present the results of a molecular simulation study of fluid mixtures, where complex diffusion behavior has experimentally been found and offer an explanation based on the hydrodynamic and thermodynamic components of the Fick diffusion coefficient. Special attention is paid to mixtures near critical and demixing regions, where in many cases strong discrepancies between different measurements of the Fick diffusion coefficients are found. Also molecular simulations are challenging in these regions and require extensive sampling due the presence of pronounced density fluctuations
Molecular Dynamics simulations were performed for the prediction of the finite-size effects of Maxwe...
Adolf Fick’s work represents in many ways an important starting point for modern scientific research...
Molecular dynamics simulations were performed for the prediction of the finite-size effects of Maxwe...
We present the results of a molecular simulation study of fluid mixtures, where complex diffusion be...
An approach for computing Fick diffusivities directly from equilibrium molecular dynamics (MD) simul...
For the first time, the Fick diffusion coefficient matrix of a quaternary liquid mixture is sampled ...
An approach for computing Fick diffusivities directly from equilibrium molecular dynamics (MD) simul...
The aim of this thesis is to study multicomponent diffusion in liquids using Molecular Dynamics (MD)...
Fickian diffusion is the passive movement of molecules due to composition gradient in a mixture, and...
To better understand diffusion phenomena in highly nonideal ternary liquid mixtures, cyclohexane–tol...
The reliable evaluation of thermal diffusion factors is important to understand the composition vari...
The Fick diffusion coefficient matrix of the highly associating quaternary mixture water + methanol ...
To better understand diffusion phenomena in highly nonideal ternary liquid mixtures, cyclohexane–tol...
In spite of considerable research on the nature of aqueous alcohol mixtures that are characterized b...
Molecular dynamics simulations were performed for the prediction of the finite-size effects of Maxwe...
Molecular Dynamics simulations were performed for the prediction of the finite-size effects of Maxwe...
Adolf Fick’s work represents in many ways an important starting point for modern scientific research...
Molecular dynamics simulations were performed for the prediction of the finite-size effects of Maxwe...
We present the results of a molecular simulation study of fluid mixtures, where complex diffusion be...
An approach for computing Fick diffusivities directly from equilibrium molecular dynamics (MD) simul...
For the first time, the Fick diffusion coefficient matrix of a quaternary liquid mixture is sampled ...
An approach for computing Fick diffusivities directly from equilibrium molecular dynamics (MD) simul...
The aim of this thesis is to study multicomponent diffusion in liquids using Molecular Dynamics (MD)...
Fickian diffusion is the passive movement of molecules due to composition gradient in a mixture, and...
To better understand diffusion phenomena in highly nonideal ternary liquid mixtures, cyclohexane–tol...
The reliable evaluation of thermal diffusion factors is important to understand the composition vari...
The Fick diffusion coefficient matrix of the highly associating quaternary mixture water + methanol ...
To better understand diffusion phenomena in highly nonideal ternary liquid mixtures, cyclohexane–tol...
In spite of considerable research on the nature of aqueous alcohol mixtures that are characterized b...
Molecular dynamics simulations were performed for the prediction of the finite-size effects of Maxwe...
Molecular Dynamics simulations were performed for the prediction of the finite-size effects of Maxwe...
Adolf Fick’s work represents in many ways an important starting point for modern scientific research...
Molecular dynamics simulations were performed for the prediction of the finite-size effects of Maxwe...