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Table 3 Degradation reaction energy barrier for path A under different solvents unit: Kcal/mol

From: The mechanism for enhanced oxidation degradation of dioxin-like PCBs (PCB-77) in the atmosphere by the solvation effect

solvent

ε

∆E

∆E1

∆E2

∆E3

∆E4

∆E5

Gas phase

0

0.44

7.27

0

23.2

1.13

13.3

Cyclohexane

2.02

0.24

4.72

0

22.21

0.93

6.72

Carbon tetrachloride

2.23

0.25

4.54

0

22.08

0.87

9.65

Benzene

2.25

0.25

4.66

0

21.43

0.78

7.02

Chloroform

4.9

0.28

5.23

0

22.13

1.02

10.98

Methylene chloride

8.93

0.65

6.27

0

18.32

1.57

14.42

Acetone

20.7

2.38

19.01

0

17.57

1.12

15.42

Ethanol

24.55

0.87

5.45

0

17.44

1.19

16.12

Methyl alcohol

32.63

2.13

25.10

0

17.38

1.01

14.55

Acetonitrile

36.64

1.94

12.68

0

17.31

1.19

17.09

Dimethyl sulfoxide

46.7

2.32

15.03

0

17.31

1.04

14.25

Water

78.39

0.69

8.09

0

17.19

2.82

15.58