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. 2024 Sep 5;40(37):19332–19342. doi: 10.1021/acs.langmuir.4c00890

Figure 12.

Figure 12

Comparing ΔEa computed for four models with and without vdW interaction contributions, under the influence of NaOH or KOH activators, without (A) and with (B) hydration shells. Models 1–4 are also labeled as S0S0, A0S0, A0S1, and S0A1, respectively.