TY  - JOUR
T1  - Experimental and Computational Study of the Structure on Selected Species
Mineralogical of Kaolins in the Union (Antioquia), Colombia
AU - Espitia, Martin E. AU - Bustamante, M. Oswaldo AU - Muñoz-Garcia, Andrés M. AU - Duque, Luis F. AU - Valencia-Balvin, C. AU - Perez-Walton, S. 
JO  - Journal of Engineering and Applied Sciences
VL  - 15
IS  - 5
SP  - 1082
EP  - 1088
PY  - 2020
DA  - 2001/08/19
SN  - 1816-949x
DO  - jeasci.2020.1082.1088
UR  - https://makhillpublications.co/view-article.php?doi=jeasci.2020.1082.1088
KW  - Kaolins
KW  -species mineralogical
KW  -crystal structure
KW  -ab-initio
KW  -VASP Software
KW  -morphological
AB  - In this research, both an experimental and computational study of the mineralogical structures of
some kaolin samples are shown. The kaolin samples come from La Union, located in Antioquia, Colombia. The
experimental study was carried out by X-Ray Fluorescence (XRF), X-Ray Difraction (XRD), Mossbauer
spectroscopy and colorimetric analysis, so, it was possible to measure an elementary components amount and
some morphological characteristics that include cell parameters and atomic positions. In the other hand
by ab-inito computational methods it was possible to identify crystallographic characteristics which lead to
predict some physical and chemical properties at different conditions. The simulation was performed using
VASP Software, taking in account experimental results as starting data. The study of the relationship between
physical and chemical properties and the crystallographic structure of kaolin is important in order to understand
some phenomena related to hydrometallurgy, state solid physics and computational mineralogy because it leads
to improve the yield of clay and non-metallic materials processing which are part of Colombian economy.
ER  -