ATOMISTIC SIMULATION OF THE DIFFERENCES BETWEEN CALCITE AND DOLOMITE SURFACES - THE ROLE OF SURFACE SPECIATION

dc.contributor.author	Titiloye J.O.
dc.contributor.author	de Leeuw N.H.
dc.contributor.author	Parker S.C.
dc.date.accessioned	2020-12-29T04:14:49Z
dc.date.available	2020-12-29T04:14:49Z
dc.date.issued	1998
dc.identifier	https://elibrary.ru/item.asp?id=73151
dc.identifier.citation	Geochimica et Cosmochimica Acta, 1998, , 15, 2637-2641
dc.identifier.issn	0016-7037
dc.identifier.uri	https://repository.geologyscience.ru/handle/123456789/21590
dc.description.abstract	Atomistic simulation methods have been used to calculate and compare the surface structures and energies of the {1014}, {0001}, {1010}, {1120} and {1011} surfaces of calcite and dolomite and to evaluate their equilibrium morphologies. The calcite {1014} and the dolomite {1010} and {1120} surfaces are the most stable crystal planes. Investigation of the segregation of Mg and Ca ions in the dolomite crystal shows a clear preference for Ca2+ ions at the surface sites and for Mg2+ ions in the bulk sites and hence growth onto dolomite results in calcium carbonate or high magnesian calcite crystals which helps explain the difficulty in crystallising dolomite vs. calcite under laboratory conditions.
dc.title	ATOMISTIC SIMULATION OF THE DIFFERENCES BETWEEN CALCITE AND DOLOMITE SURFACES - THE ROLE OF SURFACE SPECIATION
dc.type	Статья

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