Conference proceedings article
Atomistic Study of the Mechanism of Carbonation



Publication Details
Authors:
Funk, A.; Trettin, R.
Editor:
K. Sobolev, S. P. Shah
Publisher:
Springer International Publishing
Publication year:
2015
Pages range:
293-299
Book title:
Nanotechnology in Construction

Abstract
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.


Authors/Editors

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