MOLECULAR DYNAMICS SIMULATION STUDY OF IONIC HYDRATION AND ION ASSOCIATION IN DILUTE AND 1 MOLAL AQUEOUS SODIUM CHLORIDE SOLUTIONS FROM AMBIENT TO SUPERCRITICAL CONDITIONS
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dc.contributor.author | Driesner T. | |
dc.contributor.author | Seward T.M. | |
dc.contributor.author | Tironi I.G. | |
dc.date.accessioned | 2021-01-04T07:55:05Z | |
dc.date.available | 2021-01-04T07:55:05Z | |
dc.date.issued | 1998 | |
dc.identifier | https://elibrary.ru/item.asp?id=28038083 | |
dc.identifier.citation | Geochimica et Cosmochimica Acta, 1998, , 18, 3095-3107 | |
dc.identifier.issn | 0016-7037 | |
dc.identifier.uri | https://repository.geologyscience.ru/handle/123456789/22189 | |
dc.description.abstract | The increasing demand for accurate equations of state of fluids under extreme conditions and the need for a detailed microscopic picture of aqueous fluids in some areas of geochemistry (e.g., mineral dissolution/precipitation kinetics) potentially make molecular dynamics (MD) simulations a powerful tool for theoretical geochemistry. We present MD simulations of infinitely dilute and 1 molal aqueous NaCl solutions that have been carried out in order to study the systematics of hydration and ion association over a wide range of conditions from ambient to supercritical and compare them to the available experimental data. | |
dc.title | MOLECULAR DYNAMICS SIMULATION STUDY OF IONIC HYDRATION AND ION ASSOCIATION IN DILUTE AND 1 MOLAL AQUEOUS SODIUM CHLORIDE SOLUTIONS FROM AMBIENT TO SUPERCRITICAL CONDITIONS | |
dc.type | Статья |
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