Contents 1. Introduction 1.1. The overall functioning 1.2. The problems about the circulation 2. The data sets 2.1. The remotely sensed data sets 2.2. The in situ data sets 3. The circulation of the surface water 3.1. AW in the western basin 3.2. AW in the eastern basin 4. The circulation of the intermediate and deep waters 4.1.
Molecular dynamics simulations of
Li+BF4
- in liquid ethylene
carbonate, propylene carbonate, and dimethyl
carbonate at low concentration are reported. Structural,
thermodynamical, and dynamical properties have
been obtained at 323 and 348 K in ethylene carbonate, 298 and 323 K in
propylene carbonate, and 298 K in
dimethyl carbonate. The diffusion coefficient of the lithium
cation is found to be very similar in the three
solvents ((0.3−0.6) × 10-9 m2
s-1 in this temperature range). This
behavior is linked to the structure of the
first solvation shell, which contains four strongly bound solvent
molecules in a tetrahedral arrangement in all
three cases. No exchange of solvent molecules between the first
and the second solvation shells of the lithium
ion have been observed during the 100-ps simulations. In the three
carbonates, the fluoroborate ion is bound
to 19 or 20 solvent molecules in the first solvation shell, the
coordination shell being much less structured
than in the case of the lithium ion, and the diffusion coefficient
exhibits a more significant solvent and
temperature dependence.
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