Modelling excess surface energy in dry and wetted calcite systems

DOI10.1007/S10910-009-9548-YMaRDI QIDQ1037474zbMATH OpenOpenAlexFDO

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

zbMATH Keywords

calcitecarbon dioxidemolecular modelingwater

Mathematics Subject Classification ID

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

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Cites work

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

Cited in

(2)

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

Describes a project that uses

Uses Software

• M.DynaMix
• VMD

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