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.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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