Abstrakt
Halloysite is very often considered as mineral with so called kaolinite's structure with one major difference, halloysite mostly presents a spiral tubular morphology instead of platy one. We will present a new structural point of view for the explanation of halloysite's morphology based on molecular dynamics and DFT calculations in combination with experimental methods.
A completely new program was created for the generation of various structural models from platy, cylindrical to spiral shape structures as halloysite presents. The software is based on mathematical or real physical quantities that are derived from experimental measurements.
Subsequently, representative model of halloysite nanotube (HNT) was used to study loading of drug molecules inside HNT structure in order to describe controlled drug delivery process.