Linear Free Energy Relationships between Dissolution Rates and Molecular Modeling Energies of Rhombohedral Carbonates

Bulk and surface energies are calculated for endmembers of the isostructural rhombohedral carbonate mineral family, including Ca, Cd, Co, Fe, Mg, Mn, Ni, and Zn compositions. The calculations for the bulk agree with the densities, bond distances, bond angles, and lattice enthalpies reported in the l...

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Veröffentlicht in:	Langmuir 2004-03, Vol.20 (7), p.2938-2946
Hauptverfasser:	Duckworth, Owen W, Cygan, Randall T, Martin, Scot T
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbonates - chemistry Computer Simulation Linear Models Models, Chemical Models, Molecular Solutions - chemistry Surface Properties Thermodynamics
Online-Zugang:	Volltext
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