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Atomistic simulatio...
Atomistic simulation of the surface structure of wollastonite
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- Kundu, Tarun (författare)
- Luleå tekniska universitet
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- Hanumantha Rao, K. (författare)
- Luleå tekniska universitet,Industriell miljö- och processteknik
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- Parker, S.C. (författare)
- School of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, UK
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(creator_code:org_t)
- 2003
- 2003
- Engelska.
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Ingår i: Chemical Physics Letters. - 0009-2614 .- 1873-4448. ; 377:1-2, s. 81-92
- Relaterad länk:
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https://urn.kb.se/re...
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visa fler...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
Nyckelord
- Mineral Processing
- Mineralteknik
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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