Table 1. Ko [1×10−25molecules−1m3] and Гexc for various parameter conditions.
B | Ko | Гexc | M | Ko | Гexc | D | Ko | Гexc | α | Ko | Гexc | H | Ko | Гexc |
0.1 | 0.85 | 1.05 | 0.6 | 5.77 | 1.05 | 1.3 | 2.79 | 1.05 | 1.6 | 9.80 | 1.04 | 5.125 | 12.48 | 1.04 |
0.3 | 2.98 | 1.05 | 0.8 | 7.59 | 1.04 | 4.6 | 9.39 | 1.04 | 1.8 | 9.88 | 1.04 | 10.25 | 10.83 | 1.04 |
0.5 | 5.63 | 1.05 | 1.0 | 9.39 | 1.04 | 8.0 | 15.70 | 1.04 | 2.0 | 9.39 | 1.04 | 15.375 | 10.33 | 1.04 |
0.7 | 9.39 | 1.04 | 1.2 | 11.27 | 1.04 | 11.3 | 23.09 | 1.04 | 2.2 | 9.27 | 1.04 | 20.5 | 10.13 | 1.04 |
0.9 | 14.69 | 1.04 | 1.4 | 13.19 | 1.04 | 14.6 | 29.18 | 1.04 | 2.4 | 9.29 | 1.04 | 25.625 | 9.91 | 1.04 |
Ko values are calculated by 100 independent simulation runs of 3DSOLM for the 1% pure reactant case in 100 nm×100 nm×100 nm for varying B, M, D, and α cases and 400 nm×400 nm×Height (H nm) for different heights of simulation boxes. Except for the specific parameter examined in each experiment, all parameter values are set to the default values: B = 0.7, M = 1.0 ns, D = 4.6×10−11 m2s−1, α = 2.0, β = 1.0, dth = 0.125 nm in 3DSOLM.