Static lattice energy calculations of mixing and ordering enthalpy in binary carbonate solid solutions

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Static lattice energy calculations of mixing and ordering enthalpy in binary carbonate solid solutions

Enthalpies of mixing and ordering in the binaries of the quaternary carbonate (Ca,Mg,Fe,Mn)CO3 solid solution have been modeled using static lattice energy minimization calculations. A set of self-consistent empirical potentials has been specially developed for this task. The calculations illustrate...

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Bibliographic Details
Main Authors:	Vinograd, V., Winkler, B., Putnis, A., Gale, Julian, Sluiter, M.
Format:	Journal Article
Published:	Elsevier Science BV 2006
Subjects:	Static lattice energy calculations Mixing properties Carbonates
Online Access:	http://www.elsevier.com/locate/chemgeo http://hdl.handle.net/20.500.11937/10667

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