Abstract
We analyze here the technical connection between the (104) calcite and (001) montmorillonite surfaces at the atomic level, as well as the conditions to obtain a stable assembly. To this end, the appropriate force field is used to describe the bonding character at the interface. Results show that, in the x direction, the elastic energy provided by calcite to ensure good adhesion at the interface is lower than the one of clay. While in the y direction, it is rather the clay’s atoms that provide energy for the accommodation to calcite. Furthermore, we have evaluated, additionally, the adhesion energy, the interfacial distance and the work of separation. We also show that the presence of water molecules at the interface absorb the excess energy and thus contribute to the stabilization of the interface.
© 2015 by Walter de Gruyter Berlin/Boston
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- Anhydrite: An important sulfur binder limiting the climatic impact of subaerial volcanic eruptions
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- The chemical behavior of fluids released during deep subduction based on fluid inclusions
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- A rock fragment related to the magnesian suite in lunar meteorite Allan Hills (ALHA) 81005
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- Pauloabibite, trigonal NaNbO3, isostructural with ilmenite, from the Jacupiranga carbonatite, Cajati, São Paulo, Brazil
- Kojonenite, a new palladium tin telluride mineral from the Stillwater Layered Igneous Intrusion, Montana, U.S.A.
- Cathodoluminescence dependence on feldspar mineral structure and implications for forensic geology
- Non-invasive assessment of the formation of tourmaline nodules by X-ray microtomography and computer modeling
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- The catalytic effect of bound extracellular polymeric substances excreted by anaerobic microorganisms on Ca-Mg carbonate precipitation: Implications for the “dolomite problem”
- Experimental study along the magnesio-hornblende–glaucophane join
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