nonlinear parameter estimation (Volmer model)

Community: MathModDB

computational task

nonlinear task

Available identifiers

MaRDI QIDQ6820978 FDOQ6820978

nonlinear estimation of Volmer affinity constant, named after M. Volmer

Description

This task performs nonlinear parameter estimation using adsorption equilibrium data to determine the Volmer affinity constant. The nonlinear Volmer equation is fitted directly to fractional surface coverage and equilibrium concentration values, capturing the effect of adsorbate mobility on the adsorbent surface. The results quantify adsorption affinity while assuming no lateral interactions among adsorbed molecules. This approach avoids distortions caused by data linearization and is suitable for systems exhibiting mobile monolayer adsorption.

List of contained entities

Volmer affinity constant
Volmer equation	$C_e=\frac{\theta }{d(1-\theta )}\exp (\frac{\theta }{(1-\theta )})$
	$C_e$ represents solute concentration (equilibrium)
	$\theta$ represents fractional surface coverage
	$d$ represents Volmer affinity constant
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 (Volmer model)

Item	Property
Volmer isotherm model	used by

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