World Journal of Nano Science and Engineering

Volume 1, Issue 2 (June 2011)

ISSN Print: 2161-4954   ISSN Online: 2161-4962

Google-based Impact Factor: 0.83  Citations  

Theoretical Study of Kaolinite Structure; Energy Minimization and Crystal Properties

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DOI: 10.4236/wjnse.2011.12009    8,664 Downloads   18,731 Views  Citations

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ABSTRACT

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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