Nonlinear parameter estimation (Kiselev model)

nonlinear estimation of Kiselev model parameters

MaRDI QIDQ6820971FDOCommunityMathModDB

Named after

Description

This task performs nonlinear parameter estimation using adsorption equilibrium data to determine the Kiselev equilibrium constant and the complex formation constant. The nonlinear Kiselev equation is fitted directly to coverage and concentration values to capture the formation of complexes between adsorbed molecules. The results quantify adsorption affinity and the strength of lateral associative interactions. This method avoids potential distortions caused by linearization.

Contained entities

Kiselev equilibrium constant		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
complex formation constant		output
Kiselev equation	$k_{1} C_{e} = \frac{θ}{(1 - θ) (1 + k_{n} θ)}$
	$C_{e}$ represents solute concentration (equilibrium)
	$θ$ represents fractional surface coverage
	$k_{1}$ represents Kiselev equilibrium constant
	$k$ represents complex formation constant

Further links

Item	Property
Kiselev isotherm model	used by

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