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Minerals, Volume 11, Issue 5

May 2021 - 110 articles

Cover Story: Geological carbon capture and sequestration (CCS) can reduce the overall carbon footprint of human activities. One important issue affecting the long-term success of CCS operations is the degradation of cement wellbore casings due to carbonation reactions in the underground CO2 storage environment. We use ab initio molecular dynamic (AIMD) simulations to quantitatively explore the reactivity of supercritical CO2 with the surfaces of portlandite—a model hydrated cement phase. CO2 undergoes a concerted reaction with H2O and surface –OH groups to form bicarbonate complexes. The free-energy barriers of their formation are controlled by the molecular structure of the surface water layer, which is, in turn, dictated by the surface chemistry and the degree of nanoconfinement. View this paper
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Minerals - ISSN 2075-163XCreative Common CC BY license