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...
| Main Authors: | , , , , |
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| Format: | Conference Paper |
| Published: |
AMER CHEMICAL SOC
2011
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| Online Access: | http://hdl.handle.net/20.500.11937/38317 |