Table 3.
Liquor ratio |
Parameters |
Furans |
Fur-sim |
Acetic acid |
Ac-sim |
Formic acid |
|||||
---|---|---|---|---|---|---|---|---|---|---|---|
C o (g/kg) | k s (min −1 ) | k 2 (min −1 ) | k 3 (min −1 ) | k 4 (min −1 ) | R 2 | C inf (g/kg) | k ac (min −1 ) | R 2 | K f (min −1 ) | ||
10:1 |
|
Kinetic modelling (not including formic acid) |
|
|
|
|
|
|
|||
|
180°C |
235 |
0.040 |
0.019 |
0.0016 |
0.0021 |
0.994 |
31 (12) |
0.0076 (0.0051) |
0.993 |
0 |
|
200°C |
235 |
0.219 |
0.060 |
0.0053 |
0.0138 |
0.978 |
30 (7.2) |
0.0214 (0.011) |
0.983 |
0 |
|
220°C |
235 |
0.993 |
0.211 |
0.0183 |
0.0684 |
0.984 |
32 (6.6) |
0.072 (0.033) |
0.972 |
0 |
10:1 |
|
Arrhenius analysis (not including formic acid) |
|
|
|
|
|
|
|||
|
E (kJmol−1) |
|
149 (16, 1.2) |
112 (68, 4.9) |
113 (49, 3.8) |
166 (78, 6) |
|
|
104 (93, 7.4) |
|
|
|
R2 of Arrh fit |
|
0.999 |
0.997 |
0.998 |
0.998 |
|
|
0.995 |
|
|
4:1 |
|
Kinetic modelling (not including formic acid) |
|
|
|
|
|
|
|||
|
200°C |
235 |
0.219 |
0.12 |
0.017 |
0.031 |
0.997 |
28 (2.8) |
0.040 (0.009) |
0.992 |
0 |
10:1 |
|
Kinetic modelling (including formic acid) |
|
|
|
|
|
|
|||
|
180°C |
235a |
0.04a |
0.010 |
0.0037 |
0.0021a |
0.994 |
|
|
|
0.0018 |
|
200°C |
235a |
0.219a |
0.027 |
0.0083 |
0.0138a |
0.976 |
|
|
|
0.0052 |
|
220°C |
235a |
0.993a |
0.079 |
0.0394 |
0.0684a |
0.935 |
|
|
|
0.0173 |
10:1 |
|
Arrhenius analysis (including formic acid) |
|
|
|
|
|
|
|||
|
E (kJmol−1) |
|
149a |
95(51, 4.1) |
109 (^, 22.7) |
166a |
|
|
|
|
105 (80, 6.4) |
|
R2 of Arrh fit |
|
|
0.998 |
0.958 |
|
|
|
|
|
0.996 |
4:1 |
|
Kinetic modelling (including formic acid) |
|
|
|
|
|
|
|||
235a | 0.219a | 0.033 | 0.055 | 0.031a | 0.981 | 0.0061 |
Single or first number in brackets, ±95% confidence limits of parameter estimation; second number in brackets, ± standard error of parameter estimation. aUnchanged from results with Kf = 0. ^Above high limit.