6533b7d1fe1ef96bd125bf5d

RESEARCH PRODUCT

Interactions and structures in polydisperse suspensions of charged spherical colloids

Guillaume Bareigts

subject

[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistryDispersions colloidalesNumerical simulationsColloidal dispersionsCoarse-GrainingSimulations numériquesMulti-Échelle

description

Colloidal suspensions are found a bit everywhere around us, in construction materials,in cosmetics, in food, in biology. They are composed of nanometric or micrometric particlesdispersed in a gas, a liquid or sometimes a solid.This thesis is about colloidal suspensions in ionic solutions, where colloids bear anelectric charge, for example silica particles in an aqueous solution of sodium chloride,at a basic pH. The colloids, here approximated by spheres, can vary significantly in size,which can have an important effect on the behavior of these systems.This study aims at improving the understanding of these charged colloidal suspensionsby theoretical models solved by numerical simulations.of these charged colloidal suspensionsby theoretical models solved by numerical simulations.One of the challenge of theses simulations is the huge number of degrees of freedom.For each (micro-)ion there is hundreds of solvent molecules, and for each colloidthere is hundreds if not thousands of ions. To get away with it, we calculated theeffective interactions at the colloidal scale. We took and developed several approaches,each showing a trade-off in terms of computational time and accuracy.The size variation of colloids may introduce interesting effects, experimentallyobserved, notably the fractionation of suspensions in several crystalline phaseswhen the colloidal concentration is increased. Some simple Monte-Carlo simulationtechniques in combination with the inter-colloid interactions computed previouslyallowed us to obtain results in good agreement with experiments.

https://tel.archives-ouvertes.fr/tel-02015347