Nonlinear parameter estimation (Volmer model) (nonlinear estimation of Volmer affinity constant)

Community: MathModDB

computational task	nonlinear task

Available identifiers

MaRDI QIDQ6820978 FDOQ6820978

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.

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Further items linking to nonlinear parameter estimation (Volmer model)

Item	Property
Volmer isotherm model	used by

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Volmer affinity constant
Volmer equation	$C_{e} = \frac{θ}{d (1 - θ)} \exp (\frac{θ}{(1 - θ)})$
	$C_{e}$ represents solute concentration (equilibrium)
	$θ$ represents fractional surface coverage
	$d$ represents Volmer affinity constant

fractional surface coverage	$θ \equiv \frac{q_{e}}{q_{m}}$	input
	$θ \equiv \frac{V}{V_{m}}$	input
	$θ$ 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)