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Atomistic simulation of the surface structure of wollastonite
Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
University of Bath.
2003 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 377, no 1-2, p. 81-92Article in journal (Refereed) Published
Abstract [en]

Atomistic simulation techniques have been used to calculate the surface structure and stability of wollastonite crystal. Seven predominant surfaces have been modelled and their calculated surface energy corresponds well with their morphological domination. The surface energy, hydration energy and reaction energy values indicate wollastonite surfaces stabilized to great extent by adsorbing water in dissociated form. The Ca2+ replacement from the first few layers of the surface is found to be energetically more favourable, elucidating high dissolution phenomena of wollastonite mineral.

Place, publisher, year, edition, pages
2003. Vol. 377, no 1-2, p. 81-92
National Category
Metallurgy and Metallic Materials
Research subject
Mineral Processing
Identifiers
URN: urn:nbn:se:ltu:diva-2726DOI: 10.1016/S0009-2614(03)01097-2ISI: 000184680000015Scopus ID: 2-s2.0-0141562155Local ID: 069739e0-b18e-11de-8293-000ea68e967bOAI: oai:DiVA.org:ltu-2726DiVA, id: diva2:975579
Note
Validerad; 2003; 20091005 (hrao)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2018-07-10Bibliographically approved

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Kundu, TarunRao, K. Hanumantha

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