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Pressure dependence and activation volume for the water exchange mechanism in NaCl(aq) from MD simulations
Uppsala University.
Uppsala University.
Uppsala University.
1997 (English)In: CHEMICAL PHYSICS LETTERS, ISSN 0009-2614, Vol. 276, no 1-2, 114-121 p.Article in journal (Other scientific) Published
Abstract [en]

The influence of an external pressure on the solvent exchange mechanisms around the Na+ ion in a dilute NaCl(aq) solution has been investigated through MD simulations at 0 and 200 MPa. At zero pressure most of the exchange processes (approximate to 75%) c

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 1997. Vol. 276, no 1-2, 114-121 p.
Keyword [en]
MOLECULAR-DYNAMICS SIMULATION; TRANSITION PERIOD; IONS; TEMPERATURE; HYDRATION; DIVALENT; MOBILITY
Identifiers
URN: urn:nbn:se:uu:diva-84707OAI: oai:DiVA.org:uu-84707DiVA: diva2:112615
Note
Addresses: Spangberg D, UNIV UPPSALA, ANGSTROM LAB, BOX 538, S-75121 UPPSALA, SWEDEN.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-15

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CiteExportLink to record
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