Data

Simulations of CaCO3 in water with a reactive force field

Curtin University
Julian Gale (Managed by) Paolo Raiteri (hasAssociatonWith, isRelatedTo)
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft.title=Simulations of CaCO3 in water with a reactive force field&rft.publisher=Curtin University&rft.description=This data set contains the simulations used in the computational study of the behaviour of CaCO3 in water with a reactive force field. This type of simulation allows for effectively studying the role of pH as the protons in the system are free to migrate and diffuse. The wetting of the calcite surface have also been analysed and included in this set.&rft.creator=Anonymous&rft.date=2012&rft.relation=http://dx.doi.org/10.1039/C1CP21034C&rft_subject=PHYSICAL SCIENCES&rft_subject=EARTH SCIENCES&rft.type=dataset&rft.language=English Access the data

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J.Gale@curtin.edu.au

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Brief description

This data set contains the simulations used in the computational study of the behaviour of CaCO3 in water with a reactive force field. This type of simulation allows for effectively studying the role of pH as the protons in the system are free to migrate and diffuse. The wetting of the calcite surface have also been analysed and included in this set.

Data time period: 07 2010 to 31 07 2010

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Earth Sciences | Physical Sciences |

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