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. 2023 Jul 17;127(29):14425–14438. doi: 10.1021/acs.jpcc.3c02264

Table 2. Partitioning Coefficients K (10–7) and Gibbs Free Energy of Transfer G (kJ/mol) of Gas Molecules at the Solid–Liquid Interface and at the Bulk-Like Water Region.

T (K)   H2 He CH4 Ar CO2
300 KB 0.97 ± 0.46 2.45 ± 1.30 1.51 ± 0.82 7.90 ± 1.49 138.97 ± 26.29
  KI 1.22 ± 0.58 2.56 ± 1.02 1.34 ± 0.66 7.26 ± 2.80 142.14 ± 21.72
  GB 40.64 ± 1.46 38.29 ± 1.23 39.52 ± 1.24 35.09 ± 0.48 27.94 ± 0.50
  GI 40.07 ± 1.45 38.06 ± 1.00 39.68 ± 0.99 35.53 ± 1.29 27.87 ± 0.41
330 KB 10.94 ± 3.95 20.06 ± 4.44 10.05 ± 4.32 53.02 ± 7.21 389.24 ± 58.56
  KI 9.15 ± 3.80 20.12 ± 3.46 9.83 ± 5.24 49.03 ± 7.46 392.30 ± 78.15
  GB 37.84 ± 1.00 36.07 ± 0.64 38.16 ± 1.21 33.35 ± 0.36 27.89 ± 0.41
  GI 38.35 ± 0.97 36.03 ± 0.50 38.44 ± 1.73 33.57 ± 0.39 27.89 ± 0.55