Atomistic modelling for the construction industry


Pesce, G., Ball, R., Grant, R., Yeandel, S. and Parker, S., 2015. Atomistic modelling for the construction industry. In: 35th Cement and Concrete Science Conference (CCSC35), 2015-08-26 - 2015-08-28, Scotland.

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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 Items (Paper)
    CreatorsPesce, G., Ball, R., Grant, R., Yeandel, S. and Parker, S.
    Uncontrolled Keywordscarbonation,atomistic modelling,dolomitic lime
    DepartmentsFaculty of Engineering & Design > Architecture & Civil Engineering
    Faculty of Science > Chemistry
    Research CentresBRE Centre in Innovative Construction Materials
    Materials Research Centre
    Centre for Sustainable Chemical Technologies
    EPSRC Centre for Doctoral Training in Statistical Mathematics (SAMBa)
    ID Code47628


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