Nonlinear parameter estimation (Kiselev model) (nonlinear estimation of Kiselev model parameters)

Community: MathModDB

computational task	nonlinear task

Available identifiers

MaRDI QIDQ6820971 FDOQ6820971

named after Andrey Kiselyov

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.

List of contained entities

Further items linking to nonlinear parameter estimation (Kiselev model)

Item	Property
Kiselev isotherm model	used by

This page was built for task: nonlinear parameter estimation (Kiselev model)

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

Kiselev equilibrium constant
complex formation 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)