Nonlinear parameter estimation (Toth model) (nonlinear estimation of Toth model parameters)

Community: MathModDB

computational task

nonlinear task

Available identifiers

MaRDI QIDQ6821163 FDOQ6821163

Named after

József Tóth

Description

This task involves estimating the parameters of the Toth adsorption isotherm model from equilibrium adsorption data. The model is nonlinear in its parameters, so numerical regression techniques are required to obtain optimal values for the maximum adsorption capacity, equilibrium constant, and heterogeneity exponent. The goal is to minimize prediction error between experimental uptake data and the theoretical Toth curve. The task is typically implemented using nonlinear least-squares optimization. Estimated parameters are then used to characterize adsorption behavior on heterogeneous surfaces.

Contained entities

Toth heterogeneity exponent constraint	$0<m_T\le 1$	constraint
	$m_T$ represents Toth heterogeneity exponent
adsorbed solute (equilibrium)
solute concentration (equilibrium)
Toth equilibrium constant
maximum monolayer adsorption capacity
Toth heterogeneity exponent
Toth isotherm equation	$q_e=\frac{q_m{C}_e}{(\frac{1}{K_T}+C_e^{m_T}{)}^{\frac{1}{m_T}}}$
	$q_e$ represents adsorbed solute (equilibrium)
	$C_e$ represents solute concentration (equilibrium)
	$q_m$ represents maximum monolayer adsorption capacity
	$K_T$ represents Toth equilibrium constant
	$m_T$ represents Toth heterogeneity exponent

Computational tasks specializations

nonlinear parameter estimation (Langmuir adsorption model)

Computational Task	Algorithmic Task

Further links

Item	Property
Toth isotherm model	used by

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