| About this Abstract |
| Meeting |
Materials Science & Technology 2020
|
| Symposium
|
Art and Cultural Heritage: Discoveries and Education
|
| Presentation Title |
Adsorption on Kaolinite Surfaces: A Density Functional Theory (DFT) Approach to Quantifying Interactions Between a Clay Mineral and Small Molecules |
| Author(s) |
Jessica Heimann, Joseph Bennett, Zeev Rosenzweig |
| On-Site Speaker (Planned) |
Jessica Heimann |
| Abstract Scope |
Kaolinite [Al2Si2O5(OH)4] is a mineral formed from repeating layers of tetrahedral silica linked to octahedral alumina. Throughout history, this clay mineral has been used in a wide range of applications including cosmetics, ceramics, and as a constituent in fuller’s earth. The duality of kaolinite as the main component in porcelain vs. as an absorbent for oils and fatty acids leads to an interesting question: “How does one clean a material (in, for example, an unfired porcelain object) that removes oil and grease from other materials?” In this work, we aim to address this question by using density functional theory (DFT) to probe pH-dependent interactions between native or dehydrated kaolinite and a series of small molecules and organics. The results of this study provide insight into not only the mechanism of detergent adsorption, but also the effects of adsorption on surface properties (e.g. a change in susceptibility to further adsorbate binding). |