Table 3.
Model and equation | Temperature | Carrier material | Parameter | SS | RMSE | R2 | Adj R2 |
---|---|---|---|---|---|---|---|
Lewis | 333 K | With | kd = 0.000397 | 20.485 | 0.811 | 0.682 | 0.670 |
MR = exp (−kd t)61 | Without | kd = 0.0204 | 25.000 | 0.699 | 0.884 | 0.873 | |
343 K | With | kd = 0.0224 | 6.011 | 0.056 | 0.975 | 0.973 | |
Without | kd = 0.0252 | 48.199 | 0.142 | 0.879 | 0.868 | ||
353 K | With | kd = 0.0269 | 0.056 | 0.022 | 0.993 | 0.992 | |
Without | kd = 0.0332 | 53.135 | 0.141 | 0.909 | 0.901 | ||
Page | 333 K | With | kd = 0.067 | 0.019 | 0.027 | 0.987 | 0.986 |
MR = exp (−kd tn)62 | n = 0.740 | ||||||
Without | kd = 0.00257 | 23.458 | 0.727 | 0.899 | 0.889 | ||
n = 1.32 | |||||||
343 K | With | kd = 0.0746 | 0.169 | 0.018 | 0.992 | 0.992 | |
n = 0.7013 | |||||||
Without | kd = 8.345E-08 | 0.018 | 0.027 | 0.993 | 0.992 | ||
n = 4.3697 | |||||||
353 K | With | kd = 0.0207 | 0.106 | 0.018 | 0.993 | 0.993 | |
n = 1.0684 | |||||||
Without | kd = 0.00257 | 1.968 | 0.405 | 0.757 | 0.735 | ||
n = 1.32 | |||||||
Henderson & Pabis | 333 K | With | a = 0.905 | 6.204 | 0.042 | 0.971 | 0.970 |
MR = a exp(−kd t)63 | kd = 0.0213 | ||||||
Without | a = 1.2122 | 0.053 | 0.305 | 0.866 | 0.854 | ||
kd = 0.0241 | |||||||
343 K | With | a = 0.8958 | 2.915 | 0.041 | 0.966 | 0.964 | |
kd = 0.0197 | |||||||
Without | a = 1.1973 | 43.453 | 0.110 | 0.867 | 0.854 | ||
kd = 0.029 | |||||||
353 K | With | a = 1.0188 | 0.053 | 0.018 | 0.993 | 0.992 | |
kd = 0.0272 | |||||||
Without | a = 1.1657 | 4.633 | 0.128 | 0.903 | 0.894 | ||
kd = 0.0373 | |||||||
Logaritmic | 333 K | With | a = 0.9008 | 9.868 | 0.038 | 0.973 | 0.972 |
MR = a exp (−kd t) + c64 | kd = 0.0246 | ||||||
c = 0.0318 | |||||||
Without | a = 1.8749 | 2.617 | 0.305 | 0.898 | 0.889 | ||
kd = 0.0101 | |||||||
c = −0.7257 | |||||||
343 K | With | a = 0.8659 | 0.391 | 0.029 | 0.982 | 0.981 | |
kd = 0.0303 | |||||||
c = 0.1004 | |||||||
Without | a = 1.4758 | 13.000 | 0.099 | 0.886 | 0.875 | ||
kd = 0.0174 | |||||||
c = −0.321 | |||||||
353 K | With | a = 1.0242 | 0.063 | 0.018 | 0.993 | 0.992 | |
kd = 0.0267 | |||||||
c = −0.0078 | |||||||
Without | a = 1.2645 | 8.848 | 0.120 | 0.910 | 0.902 | ||
kd = 0.0293 | |||||||
c = −0.1197 | |||||||
Two terms exponential | 333 K | With | a = 0.2463 | 3.225 | 0.032 | 0.985 | 0.984 |
MR = a exp (−kd t) + (1 − a) exp (−kd a t)65 | kd = 0.0755 | ||||||
Without | a = 2.4621 | 26.000 | 0.866 | 0.946 | 0.941 | ||
kd = 0.0381 | |||||||
343 K | With | a = 0.2481 | 1.615 | 0.029 | 0.987 | 0.986 | |
kd = 0.0699 | |||||||
Without | a = 2.4602 | 25.012 | 0.074 | 0.940 | 0.935 | ||
kd = 0.0455 | |||||||
353 K | With | a = 1.4949 | 0.008 | 0.018 | 0.993 | 0.992 | |
kd = 0.0317 | |||||||
Without | a = 2.5047 | 1.545 | 0.070 | 0.971 | 0.968 | ||
kd = 0.061 | |||||||
Diffusion approximation | 333 K | With | a = −0.0267 | 19.713 | 0.053 | 0.971 | 0.970 |
MR = a exp(−kd t) + (1 − a)exp (−K b t)66 | kd = 0.0068 | ||||||
b = 3.0378 | |||||||
Without | a = 1.2767 | 40.000 | 0.866 | 0.889 | 0.879 | ||
kd = 0.0185 | |||||||
b = 0.9013 | |||||||
343 K | With | a = 0.5237 | 0.113 | 0.016 | 0.993 | 0.994 | |
kd = 0.0121 | |||||||
b = 5.343 | |||||||
Without | a = 0 | 0.382 | 0.121 | 0.879 | 0.868 | ||
kd = 0.0219 | |||||||
b = 1.1534 | |||||||
353 K | With | a = 0 | 0.009 | 0.019 | 0.993 | 0.992 | |
kd = 0.0226 | |||||||
b = 1.1859 | |||||||
Without | a = 0.000 | 0.238 | 0.309 | 0.909 | 0.901 | ||
kd = 0.02512 | |||||||
b = 1.3215 | |||||||
Midilli | 333 K | With | a = 0.999 | 0.019 | 0.027 | 0.987 | 0.986 |
MR = a exp(−kd tn) + bt67 | kd = 0.0215 | ||||||
n = 0.741 | |||||||
b = 0.000 | |||||||
Without | a = 1.016 | 8.945 | 0.058 | 0.981 | 0.978 | ||
kd = 1.4169E-7 | |||||||
n = 3.141 | |||||||
b = 0.0001 | |||||||
343 K | With | a = 1.00519 | 0.166 | 0.018 | 0.992 | 0.992 | |
kd = 0.067 | |||||||
n = 0.6978 | |||||||
b = 0 | |||||||
Without | a = 0.9715 | 0.017 | 0.026 | 0.992 | 0.991 | ||
kd = 5.33E-06 | |||||||
n = 4.2102 | |||||||
b = 4.1595E-14 | |||||||
353 K | With | a = 1.0069 | 0.008 | 0.018 | 0.993 | 0.993 | |
kd = 0.07609 | |||||||
n = 1.0598 | |||||||
b = 0.000 | |||||||
Without | a = 0.997 | 0.070 | 0.308 | 0.996 | 0.994 | ||
kd = 7.144E-06 | |||||||
n = 3.4433 | |||||||
b = 0.000107 | |||||||
Verma | 333 K | With | a = 0.604 | 0.017 | 0.025 | 0.989 | 0.988 |
MR = a exp (−kd 0 t) + (1 − a) exp (−kd 1 t)68 | kd 0 = 0.0149 | ||||||
kd 1 = 0.0789 | |||||||
Without | a = 4.823 | 1.075 | 0.866 | 0.878 | 0.867 | ||
kd 0 = 0.00295 | |||||||
kd 1 = 0.0016 | |||||||
343 K | With | a = 0 | 43.971 | 0.536 | 0.775 | 0.761 | |
kd 0 = 0.00295 | |||||||
kd 1 = 0.0016 | |||||||
Without | a = 8.0139 | 0.283 | 0.104 | 0.885 | 0.874 | ||
kd 0 = 0.0094 | |||||||
kd 1 = 0.008007 | |||||||
353 K | With | a = 1.9784 | 0.008 | 0.018 | 0.993 | 0.992 | |
kd 0 = 0.0212 | |||||||
kd 1 = 0.0168 | |||||||
Without | a = 14.6764 | 0.859 | 0.309 | 0.911 | 0.903 | ||
kd 0 = 0.01654 | |||||||
kd 1 = 0.01570 | |||||||
kd 2 = 0.037 |
SS = Sum of squares, RSME = Root mean squared error, R2 = R-squared, Adj R2 = Adjusted R-squared.