Nonlinear parameter estimation (Volmer model)

nonlinear estimation of Volmer affinity constant

computational task, nonlinear task

MaRDI QIDQ6820978FDOCommunityMathModDB

Named after

Max 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.

Contained entities

Volmer affinity constant		output
solute concentration (equilibrium)		input
fractional surface coverage	$\theta \equiv \frac{q_e}{q_m}$	input
	$\theta \equiv \frac{V}{V_m}$
	$\theta$ 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
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

Further links

Item	Property
Volmer isotherm model	used by

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