Modelling excess surface energy in dry and wetted calcite systems

DOI10.1007/S10910-009-9548-YzbMATH Open1182.92072OpenAlexW2089322239MaRDI QIDQ1037474FDOQ1037474

Authors: Tatyana Kuznetsova, Daniel Uppstad, Bjørn Kvamme 

Publication date: 16 November 2009

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-009-9548-y

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zbMATH Keywords

carbon dioxidewatermolecular modelingcalcite

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• M. DynaMix -- a scalable portable parallel MD simulation package for arbitrary molecular mixtures

Cited In (2)

• Incorporation of Mg\(^{2+}\), Sr\(^{2+}\), Ba\(^{2+}\) and Zn\(^{2+}\) into aragonite and comparison with calcite
• Scale prevention by ceramic balls

Uses Software

• M.DynaMix
• VMD

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