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. 2021 Sep 15;125(38):10854–10865. doi: 10.1021/acs.jpcb.1c05188

Table 1. Solvation Energies Calculated for Acetic Acid, Formic Acid, Formaldehyde, and Water in P(MMA-co-EA) and P(MMA-co-nBA) (All Values in kJ/mol).

  P(MMA-co-EA)
P(MMA-co-nBA)
VOC Coulombic van der Waals total Coulombic van der Waals total
acetic acid –18.25 ± 0.15 –17.89 ± 0.32 –36.14 –17.91 ± 0.25 –17.95 ± 0.38 –35.86
formic acid –20.95 ± 0.45 –12.01 ± 0.19 –32.96 –20.91 ± 0.07 –11.92 ± 0.27 –32.83
formaldehyde –7.69 ± 0.17 –6.46 ± 0.16 –14.15 –6.63 ± 0.12 –5.75 ± 0.12 –12.38
water –22.73 ± 0.55 0.80 ± 0.18 –21.93 –22.06 ± 0.33 2.01 ± 0.24 –20.05