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Understanding cationic polymer adsorption on mineral surfaces: kaolinite in cement aggregates (2018)
Journal Article
Jacquet, A., Geatches, D. L., Clark, S. J., & Greenwell, H. C. (2018). Understanding cationic polymer adsorption on mineral surfaces: kaolinite in cement aggregates. Minerals, 8(4), Article 130. https://doi.org/10.3390/min8040130

We present a joint experimental and theoretical investigation into the adsorption of polycationic quaternary ammonium polymers on the clay mineral kaolinite. Within the cement and concrete manufacturing industries such polymers are used to improve th... Read More about Understanding cationic polymer adsorption on mineral surfaces: kaolinite in cement aggregates.

Insights into the Behaviour of Biomolecules on the Early Earth: The Concentration of Aspartate by Layered Double Hydroxide Minerals (2015)
Journal Article
Grégoire, B., Erastova, V., Geatches, D. L., Clark, S. J., Greenwell, H. C., & Fraser, D. G. (2016). Insights into the Behaviour of Biomolecules on the Early Earth: The Concentration of Aspartate by Layered Double Hydroxide Minerals. Geochimica et Cosmochimica Acta, 176, 239-258. https://doi.org/10.1016/j.gca.2015.12.026

The role of mineral surfaces in concentrating and facilitating the polymerisation of simple protobiomolecules during the Hadean and Archean has been the subject of much research in order to constrain the conditions that may have led to the origin of... Read More about Insights into the Behaviour of Biomolecules on the Early Earth: The Concentration of Aspartate by Layered Double Hydroxide Minerals.

DFT+U investigation of the catalytic properties of ferruginous clay (2013)
Journal Article
Geatches, D. L., Clark, S. J., & Greenwell, H. C. (2013). DFT+U investigation of the catalytic properties of ferruginous clay. American Mineralogist, 98(1), 132-140. https://doi.org/10.2138/am.2013.4204

The formation of fossil oil within clay minerals i.e., mineral-catalyzed decarboxylation, is a mechanism awaiting a thorough chemical explanation. To contribute to such an explanation, the study presented here investigates this mechanism at the level... Read More about DFT+U investigation of the catalytic properties of ferruginous clay.

Ab initio transition state searching in complex systems: Fatty acid decarboxylation in minerals (2011)
Journal Article
Geatches, D., Greenwell, H., & Clark, S. (2011). Ab initio transition state searching in complex systems: Fatty acid decarboxylation in minerals. The Journal of Physical Chemistry A, 115(12), 2658-2667. https://doi.org/10.1021/jp200106x

Because of the importance of mineral catalyzed decarboxylation reactions in both crude oil formation and, increasingly, biofuel production, we present a model study into the decarboxylation of the shortest fatty acid, propionic acid C2H5COOH, into an... Read More about Ab initio transition state searching in complex systems: Fatty acid decarboxylation in minerals.

Role of Clay Minerals in Oil-Forming Reactions (2010)
Journal Article
Geatches, D. L., Clark, S. J., & Greenwell, H. C. (2010). Role of Clay Minerals in Oil-Forming Reactions. The Journal of Physical Chemistry A, 114(10), 3569-3575. https://doi.org/10.1021/jp9096869

Mineral-catalyzed decarboxylation reactions are important in both crude oil formation and, increasingly, biofuel production. In this study we examined decarboxylation reactions of a model fatty acid, propionic acid, C2H5COOH, to an alkane, C2H6, in a... Read More about Role of Clay Minerals in Oil-Forming Reactions.