Paper Search Console

Home Search Page Alphabetical List About Contact

Journal Title

Title of Journal: J. Cent. South Univ. Technol.

Search In Journal Title:

Abbravation: Journal of Central South University of Technology

Search In Journal Abbravation:

Publisher

Central South University

Search In Publisher:

DOI

10.1007/s10723-007-9062-z

Search In DOI:

ISSN

1993-0666

Search In ISSN:
Search In Title Of Papers:

Electron bandstructure of kaolinite and its mechanism of flotation using dodecylamine as collector

Authors: Liu-yin Xia, Hong Zhong, Guang-yi Liu, Xin-gang Li,

Publish Date: 2009/02/22
Volume: 16, Issue:1, Pages: 73-79
PDF Link

Abstract

The bulk electronic structure of kaolinite (001) plane was studied with quantum mechanical calculations. The CASTEP parameterization of ultrasoft pseudopotentials without core corrections was used to optimize the structure of kaolinite bulk and slab models. The results show that Fermi energy of kaolinite (001) plane is 3.05 eV, and the band gap is 4.52 eV. The partial density of states (PDOS) of kaolinite (001) plane indicates that Al—O and Si—O bonds on the mineral surface are highly polar. The oxygen atoms of hydroxyl groups in surface layer are capable of forming hydrogen bond with the head group of cationic collectors. The properties of dodecylamine (DDA) cation were also calculated by density function theory (DFT) method at B3LYP/6-31G (d) level for illuminating the flotation processes of kaolinite. Besides the electrostatic attraction, the mechanism between kaolinite and DDA is found to be hydrogen bonds under acidic condition.Foundation item: Project(2005CB623701) supported by the Major State Basic Research and Development Program of China; Project(50874118) supported by the National Nature Science Foundation of China; Project(2007B52) supported by the Foundation for the Author of National Excellent Doctoral Dissertation of China


Keywords:

References


.
Search In Abstract Of Papers:
Other Papers In This Journal:


Search Result:



Help video to use 'Paper Search Console'