Activity-composition relations in the system CaCO3-MgCO3 predicted from static structure energy calculations and Monte Carlo simulations

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Activity-composition relations in the system CaCO3-MgCO3 predicted from static structure energy calculations and Monte Carlo simulations

Thermodynamic mixing properties and subsolidus phase relations of the rhombohedral carbonate system, (1 - x) CaCO3 - x MgCO3, were modelled in the temperature range of 623-2023 K with static structure energy calculations based on well-parameterised empirical interatomic potentials. Relaxed static...

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Bibliographic Details
Main Authors:	Vinograd, V., Burton, B., Gale, Julian, Allan, N., Winkler, B.
Format:	Journal Article
Published:	Pergamon-Elsevier Science Ltd 2006
Online Access:	http://hdl.handle.net/20.500.11937/13415

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