nonlinear parameter estimation (Frumkin model)

Community: MathModDB

computational task

nonlinear task

Available identifiers

MaRDI QIDQ6821333 FDOQ6821333

nonlinear estimation of Frumkin isotherm parameters

Description

This task performs nonlinear parameter estimation using experimental adsorption equilibrium data. The objective is to determine the Frumkin equilibrium constant and the lateral interaction parameter by fitting the nonlinear Frumkin isotherm equation to measured solute concentration and fractional surface coverage data. The task captures deviations from ideal Langmuir behavior arising from attractive or repulsive interactions among adsorbed molecules. Nonlinear fitting preserves the thermodynamic structure of the model and avoids distortions introduced by linearization. The resulting parameters characterize both adsorption affinity and interaction effects on the adsorbent surface.

List of contained entities

Frumkin adsorption equation	$C_e=\frac{\theta }{K_F(1-\theta )}{e}^{-f\theta }$
	$C_e$ represents solute concentration (equilibrium)
	$\theta$ represents fractional surface coverage
	$K_F$ represents Frumkin equilibrium constant
	$f$ represents Frumkin interaction parameter
Frumkin equilibrium constant
Frumkin interaction parameter
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)

Computational tasks specializing nonlinear parameter estimation (Frumkin model)

nonlinear parameter estimation (Langmuir adsorption model)

Further items linking to nonlinear parameter estimation (Frumkin model)

Item	Property
Frumkin isotherm model	used by

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