Nonlinear parameter estimation (Temkin isotherm model)

nonlinear estimation of Temkin isotherm parameters

MaRDI QIDQ6820956FDOCommunityMathModDB

Named after

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.

Contained entities

adsorption energy variation		output
fractional surface coverage	$θ \equiv \frac{q_{e}}{q_{m}}$	input
	$θ \equiv \frac{V}{V_{m}}$
	$θ$ represents fractional surface coverage
	$q_{e}$ represents adsorbed solute (equilibrium)
	$q_{m}$ represents maximum monolayer adsorption capacity
	$V$ represents adsorbed gas volume (equlibrium)
	$V_{m}$ represents maximum monolayer adsorption volume

solute concentration (equilibrium)		input
Temkin equilibrium constant		output
Temkin isotherm equation	$θ = \frac{R T}{Δ Q} \ln (K_{0} C_{e})$
	$θ$ represents fractional surface coverage
	$C_{e}$ represents solute concentration (equilibrium)
	$K_{0}$ represents Temkin equilibrium constant
	$Δ Q$ represents adsorption energy variation
	$T$ represents temperature
	$R$ represents molar gas constant

Further links

Item	Property
Temkin isotherm model	used by

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