Abstract

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.
Original languageEnglish
Publication statusPublished - 26 Aug 2015
Event35th Cement and Concrete Science Conference (CCSC35) - Scotland, Aberdeen, UK United Kingdom
Duration: 26 Aug 201528 Aug 2015

Conference

Conference35th Cement and Concrete Science Conference (CCSC35)
CountryUK United Kingdom
CityAberdeen
Period26/08/1528/08/15

Keywords

  • Carbonation
  • Atomistic modelling
  • Dolomitic lime

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    Pesce, G., Ball, R., Grant, R., Yeandel, S., & Parker, S. (2015). Atomistic modelling for the construction industry. Paper presented at 35th Cement and Concrete Science Conference (CCSC35), Aberdeen, UK United Kingdom.