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. 2019 Jan 25;14(1):e0210694. doi: 10.1371/journal.pone.0210694

Table 3. Kinetic and thermodynamic parameters of the degradation of TP in free form and in complex with β-CD.

Temp. [K] TP TP-β-CD inclusion complex to
(k ±Δk) [s-1] Thermodynamic parameters
(mean ± SD)
(k ±Δk) [s-1] Thermodynamic parameters
(mean ± SD)
RH ~ 76%
303
313
323
333
(3.94 ± 0.52) × 10−6
(4.80 ± 0.40) × 10−6
(5.38 ± 0.38) × 10−6
(6.12 ± 0.42) × 10−6
Ea = 12.07 ± 3.80 (kJ mol-1)
ΔHa = 9.59 ± 6.28 (kJ mol-)
ΔSa = -244.91 ± 209.78 (J K-1 mol-1)
(3.69 ± 0.52) × 10−6
(4.22 ± 0.45) × 10−6
(4.67 ± 0.39) × 10−6
(5.22 ± 0.36) × 10−6
Ea = 9.59 ± 1.18 (kJ mol-)
ΔHa = 7.11 ± 3.66 (kJ mol-)
ΔSa = -244.92 ± 231.91 (J K-1 mol-1)
1.72
2.34
3.14
3.96
RH = 0%
333
343
353
363
(7.64 ± 0.02) × 10−6
(8.39 ± 0.01) × 10−6
(9.42 ± 0.02) × 10−6
(1.09 ± 0.02) × 10−5
Ea = 11.84 ± 4.51 (kJ mol-)
ΔHa = 9.36 ± 6.98 (kJ mol-)
ΔSa = -244.91 ± 205.34 (J K-1 mol-1)
(6.80 ± 0.03) × 10−6
(7.32 ± 0.02) × 10−6
(7.98 ± 0.02) × 10−6
(8.85 ± 0.02) × 10−6
Ea = 8.79 ± 2.73 (kJ mol-)
ΔHa = 6.31 ± 5.21 (kJ mol-)
ΔSa = -244.92 ± 223.55 (J K-1 mol-1)
2.35
3.67
5.02
6.62

Δk = Sa tαf Ea, activation energy; ΔH, enthalpy; ΔS, entropy; Ea = -aR; ΔH = Ea -TR; ΔS = R(ln A ln(kbT)/h where: kB, Boltzmann’s constant (1.3807 10−23 JK-1); h, Planck’s constant (6.626 10-34Js); R, universal gas constant (8.314 K-1mol-1), T, temperature in K; a, vectorial coefficient of the Arrhenius; A, frequency coefficient a calculated for 298 K; t0, parameter of parallelism test, establishing significance of a coefficient of ln(ci) = f(t) plots.