A computational study of calcium carbonate

This thesis presents the results of computer simulation studies of impurity incorporation in calcite and the aggregation of calcite particles, using a combination of classical computational techniques based on interatomic potentials, namely molecular mechanics and molecular dynamics simulations. Fir...

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Bibliographic Details
Main Author: Wang, Q.
Published: University College London (University of London) 2011
Subjects:
540
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.565517