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. 2023 Aug 10;8(33):30247–30261. doi: 10.1021/acsomega.3c02982

Table 1. Obtained Fitting Theoretical Parameters of the Studied Kinetic, Classic Equilibrium, Advanced Equilibrium, Van’t Hoff Equation, and Release Kinetic Models.

model parameters Mg·HAP β-CD/HAP
Kinetic Models
pseudo-first-order K1 (min–1) 0.415 0.597
  Qe(Cal) (mg/g) 99.0 155.1
  R2 0.88 0.96
  X2 2.75 0.54
pseudo-second-order k2 (g mg–1min–1) 0.0031 0.0038
  Qe(Cal) (mg/g) 124.0 180.4
  R2 0.83 0.89
  X2 4.01 1.68
Isotherm Models
Langmuir Qmax (mg/g) 166.4 267.4
  b (L/mg) 1.17 × 10–7 8.61 × 10–8
  R2 0.99 0.99
  X2 0.146 0.104
  RL 0.99 0.99
Freundlich 1/n 0.36 0.30
  kF (mg/g) 165.1 256.6
  R2 0.99 0.99
  X2 0.027 0.01
D–R model β (mol2/kJ2) 0.02897 0.01165
  Qm (mg/g) 173.28 275.8
  R2 0.99 0.97
  X2 0.31 1.67
  E (kJ/mol) 4.15 6.55
monolayer model of one energy n 3.89 4.45
  Nm (mg/g) 42.4 61.2
  Q(sat) (mg/g) 164.9 272.3
  ΔE (kJ/mol) –7.54 –8.13
Thermodynamics
ΔG° (kJ mol–1) 293.13 –12.83 –14.24
  303.13 –13.14 –14.64
  313.13 –13.30 –15.04
  323.13 –13.27 –15.33
ΔH° (kJ mol–1)   –8.31 –4.23
ΔS° (J K1 mol–1)   15.65 34.3
release kinetics
  determination coefficient
  Mg·HAP
β-CD/HAP
models gastric fluid (pH 1.2) intestinal fluid (pH 7.4) gastric fluid (pH 1.2) intestinal fluid (pH 7.4)
zero-order 0.78 0.89 0.90 0.80
first order 0.93 0.96 0.93 0.98
Higuchi 0.92 0.97 0.98 0.94
Hixson–Crowell 0.99 0.98 0.99 0.99
Korsmeyer–Peppas 0.95 0.98 0.95 0.96
n 0.64 0.73 0.64 0.64