TABLE II.
Results of Equilibrium MD Simulations
| Time | No. of permeations | q 0 | pd × 1014 | |
|---|---|---|---|---|
| ns | molecules/ns/pore | cm3/s/pore | ||
| H2O | 31.1 | 71 | 0.29 ± 0.026 | 0.85 ± 0.078 |
| D2O | 26.3 | 65 | 0.31 ± 0.085 | 1.0 ± 0.28 |
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