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Earth Sciences at the University of Fribourg

Bern-Fribourg Master in Earth Sciences


Details of Master Thesis Topic (Module D):
Mineral surface speciation at an atomic scale

Master Thesis title: Mineral surface speciation at an atomic scale
Description:Dissolution and growth mechanism of minerals depends on the structure and speciation of mineral surfaces. Experimental characterisation of mineral surface at atomic scale is very challenging. Atomistic simulation of mineral surfaces bases on interatomic interaction parameters help to understand the macroscopic reaction kinetics and the sorption behaviour of mineral surfaces. In this project molecular  modelling will be applied to simulate the mineral surface structure, sorption behaviour  and surface speciation in equilibrium with fluid as function of fluid composition(pH, ion concentrations) using Molecular Dynamics and Monte Carlo simulation approaches.
Advisors:Dr. Konstantinos Karalis, Prof. Sergey Churakov
Specialities:EM, ERG
University: BE

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University of Fribourg | Dépt. Géosciences ; Ch. du Musée 6 - Pérolles ; CH-1700 Fribourg |
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