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. 2022 Dec 5;27(23):8574. doi: 10.3390/molecules27238574

Table 1.

Common models for fitting the experimental sorption data (isotherms, kinetic and column).

Fitting Models Nonlinear Linear Parameters
Isotherms
Langmuir qe=qmKLCe1+KLCe Ceqe=Ceqm+1KLqm qe (mg/g) = sorbed amount at equilibrium;
Ce (mg/L) = equilibrium concentration;
qm (mg/g) = maximum sorbed amount.
KL (L/mg) = Langmuir adsorption constant;
KF = Freundlich constant;
1/n = parameter related to surface heterogeneity;
aS (L/mg) = Sips adsorption constant.
Freundlich qe=KFCe1/n lnqe=lnKF+1nlnCe
Sips qe=aSCe1/n1+aSCe1/n 1nlnCe=ln(aSqe)+lnaS
Kinetics
Pseudo-first-order (PFO) qt=qe(1ek1t) ln(qeqt)=lnqek1t qe (mg/g) = sorbed amount at equilibrium;
qt (mg/g) = sorbed amount at time t;
k1 (min−1) = PFO model rate constant;
k2 (g/mg∙min) = PSO model rate constant;
t (min) = time.
Pseudo-second-order (PSO) qt=k2qe2t1+k2qet 1qt=1k2qe2+1qe
Column experiments
Thomas CtC0=11+exp[(kTHq0mQ)kTHC0t] ln(C0/Ct–1) = (kTH∙q0∙m)/Q-kTH∙C0∙t C0 (mg/L) = initial concentration;
Ct (mg/L) = concentration at time t;
Ce (mg/L) = equilibrium concentration;
q0 (mg/g) = maximum sorption capacity;
Q (mL/min) = flow rate.
kTH (L/mg∙min) = Thomas rate constant;
kYN (mL/mg∙min) = Yoon–Nelson rate constant;
τ (min) = time required to reach 50% breakthrough;
t (min) = time.
Yoon–Nelson CtC0=11+exp[(kYN(τt))] ln[Ce/(C0–Ce)] = kYN∙t-τ∙kYN