Simulation of FeCO3 ion clusters in aqueous solution: Implications for crystal growth

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Simulation of FeCO3 ion clusters in aqueous solution: Implications for crystal growth

Molecular dynamics simulations are used to investigate the early stages of FeCO3 crystallization from aqueous solution. A model is presented that predicts values for the free energies and enthalpies of hydration of Fe(II) and CO32- ions and water exchange rates about Fe(II) that are in good agreemen...

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Bibliographic Details
Main Authors:	Wallace, A., Raiteri, Paolo, Gale, J., De Yoreo, J., Banfield, J.
Format:	Conference Paper
Published:	AMER CHEMICAL SOC 2011
Online Access:	http://hdl.handle.net/20.500.11937/38317

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