A first principles method to determine speciation of carbonates in supercritical water
The determination of the speciation of ions and molecules in supercritical aqueous fluids under pressure is key to understanding their mass transport in the Earth’s interior. Here the authors present a strategy based on ab-initio molecular dynamics to determine the speciation of carbonates in aqueou...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2020-01-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-019-14248-1 |