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. 2019 Feb 19;9:2251. doi: 10.1038/s41598-019-38485-y

Table 2.

Diffusion coefficients of H2O and EtOH for layer spacings of 10, 12 and 15 Å at 300 K.

Ethanol wt.% H2O diffusion coefficient (10−5 cm2/s) EtOH diffusion coefficient (10−5 cm2/s)
10 Å 12 Å 15 Å 10 Å 12 Å 15 Å
0 0.01* 1.55 1.80
10 0.002* 0.30 1.29 0.003* 0.29 1.19
90 0.002* 0.11 0.53 0.003* 0.11 0.42

*Diffusion coefficients are too small to represent molecular transport over the time scale of the simulation.