Atomistic modelling for the construction industry

Pesce, Giovanni, Ball, Richard, Grant, Robert, Yeandel, Stephen and Parker, Stephen (2015) Atomistic modelling for the construction industry. In: 35th Cement and Concrete Science Conference (CCSC35), 26-28 August 2015, Aberdeen.

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Advances in computing power now make atomistic modelling a viable approach for the study of complex chemical processes in a number of applications including construction. We aim to apply these methods to processes such as the carbonation of lime mortars. The current research highlights the potential for studying construction materials using atomistic modelling. Computational models of different oxide structures simulating products of the thermal decomposition of dolomite support the view of some authors that suggest formation of phase separated calcium and magnesium minerals.

Item Type: Conference or Workshop Item (Paper)
Uncontrolled Keywords: carbonation, atomistic modelling, dolomitic lime
Subjects: F100 Chemistry
H200 Civil Engineering
Department: Faculties > Engineering and Environment > Architecture and Built Environment
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Depositing User: Becky Skoyles
Date Deposited: 26 Jul 2016 10:28
Last Modified: 01 Aug 2021 02:40

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