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Validity of pseudo first order (PFO) approximation of binary adsorption kinetics

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ADmix2isLin.m is a MATLAB function that gives the outcome 1 if modeling of binary adsorption kinetics by using the pseudo first order (PFO) approximation is appropriate, zero otherwise. Input parameters are parameters of reaction rate equation: ka1 ka2 kd1 kd2 No1 No2 M where ka refers to rate constant of adsorption, kd refers to rate constant of desorption No refers to the overall number of adsorbate molecules in the system M is the number of adsorption centers on the surface Reaction rate equations are N1'=ka1*No1*(M-N1-N2)-kd1*N1 N2'=ka2*No2*(M-N1-N2)-kd2*N2 The solutions to RRE are N1=Ne1+Nt11*exp(-t/tau1)+Nt12*exp(-t/tau2) N2=Ne2+Nt21*exp(-t/tau1)+Nt22*exp(-t/tau2) Steady state values Ne1 and Ne2 are outcome of the function STEADY_mix2lin.m Transient amplitudes Nt,ij are the outcome of the function TRANSmix2lin.m Time constants are the outcome of the function TAUmix2lin.m
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2019-11-05
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