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Simulation mésoscopique pour le transport d'électrolytes asymétriques en taille et en charge

Abstract : The objective of this thesis is to extend the scope of the mesoscopic simulation technique called “Stochastic Rotation Dynamics” (SRD), for asymmetric electrolytes, such as suspensions of charged nanoparticles. The modeling of these systems is difficult, firstly because of long-range interactions between solutes (electrostatic and hydrodynamic interactions), and secondly due to the difference between the size and time scales of charged species. We have adapted the existing algorithms, and developed new ones in order to study the dynamic properties of solutes, such as self-diffusion and electrical conductivity, keeping up with a good compromise between accuracy and efficiency. This work is funded by the ANR project "Celadyct".
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  • HAL Id : tel-01888333, version 1

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Xudong Zhao. Simulation mésoscopique pour le transport d'électrolytes asymétriques en taille et en charge. Chimie-Physique [physics.chem-ph]. Université Pierre et Marie Curie - Paris VI, 2016. Français. ⟨NNT : 2016PA066420⟩. ⟨tel-01888333⟩

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