Conference proceedings article
Atomistic Study of the Mechanism of Carbonation

Publication Details
Funk, A.; Trettin, R.
K. Sobolev, S. P. Shah
Springer International Publishing
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Nanotechnology in Construction

Calcium-rich clinker forms CSH-phases and domains of portlandite, which protect reinforcement as well as the cement itself from acidic attacks because of the increased pH value of these hydroxide-rich regions. Carbonation of portlandite reduces the pH value and thus weakens this protective effect. The mechanisms of carbonation are not fully understood yet. For a true mechanistic understanding it is necessary to understand the atomistic processes occurring during carbonation. This process is of great importance for construction chemistry, energy storage and even in astrochemistry. Based upon atomistic simulations we show and explain the reaction mechanisms of the carbonation of portlandite including all intermediate structures and transition states.


Last updated on 2019-25-07 at 16:45

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