nonlinear parameter estimation (Temkin isotherm model)

Community: MathModDB

computational task

nonlinear task

Available identifiers

MaRDI QIDQ6820956

nonlinear estimation of Temkin isotherm parameters, named after Mikhail Temkin

Description

This task performs nonlinear parameter estimation using adsorption equilibrium data based on the Temkin isotherm model. It determines the Temkin equilibrium constant and the adsorption-energy variation by fitting the nonlinear Temkin equation directly to measured adsorbate concentrations and fractional coverage values. Nonlinear regression provides unbiased estimates by avoiding distortions introduced through logarithmic linearization. The resulting parameters describe how adsorption energy decreases with increasing surface coverage. This method is commonly applied in environmental chemistry and materials analysis for systems involving significant adsorbate–adsorbent interactions.

List of contained entities

Temkin equilibrium constant
Temkin isotherm equation	$\theta =\frac{RT}{\Delta Q}\ln (K_0{C}_e)$
	$\theta$ represents fractional surface coverage
	$C_e$ represents solute concentration (equilibrium)
	$K_0$ represents Temkin equilibrium constant
	$\Delta Q$ represents adsorption energy variation
	$T$ represents temperature
	$R$ represents molar gas constant
adsorption energy variation
fractional surface coverage	$\theta \equiv \frac{q_e}{q_m}$	input
	$\theta$ represents fractional surface coverage
	$q_e$ represents adsorbed solute (equilibrium)
	$q_m$ represents maximum monolayer adsorption capacity
solute concentration (equilibrium)

Further items linking to nonlinear parameter estimation (Temkin isotherm model)

Item	Property
Temkin isotherm model	used by

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