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Pressure dependence and activation volume for the water exchange mechanism in NaCl(aq) from MD simulations

Spangberg, D (author)
Uppsala universitet
Wojcik, M (author)
Uppsala universitet
Hermansson, K (author)
Uppsala universitet
 (creator_code:org_t)
ELSEVIER SCIENCE BV, 1997
1997
English.
In: CHEMICAL PHYSICS LETTERS. - : ELSEVIER SCIENCE BV. - 0009-2614. ; 276:1-2, s. 114-121
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  • 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

Keyword

MOLECULAR-DYNAMICS SIMULATION; TRANSITION PERIOD; IONS; TEMPERATURE; HYDRATION; DIVALENT; MOBILITY

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Spangberg, D
Wojcik, M
Hermansson, K
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