Theoretical Study of Kaolinite Structure; Energy Minimization and Crystal Properties
Mohamed Salah Karmous
DOI: 10.4236/wjnse.2011.12009   PDF    HTML     8,681 Downloads   18,680 Views   Citations


Computational energy minimization techniques have been used to study the structure and crystal properties of kaolinite. The full elastic tensors of the sheet silicates of clay have been derived with first-principles calculations based on density functional theory. All calculations were performed using GULP program.

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Karmous, M. (2011) Theoretical Study of Kaolinite Structure; Energy Minimization and Crystal Properties. World Journal of Nano Science and Engineering, 1, 62-66. doi: 10.4236/wjnse.2011.12009.

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The authors declare no conflicts of interest.


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