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AbstractIn this paper, we present the results of density functional theory-based (DFT) electronic structure calculations toinvestigate the reactions at the interface between the magnesium end-member of olivine (forsterite, Mg2SiO4), andwater at temperature and pressure relevant for weathering and mineralization. The work aims at gaining anunderstanding of the interfacial chemical reactions between water and olivine at the atomistic level to aid mechanisticdescription of these reactions in process modeling and optimization at continuum scale.
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