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.

Contained entities

Computational Task	Algorithmic Task

Further links

Item	Property
Kiselev isotherm model	used by

Edit nonlinear parameter estimation (Kiselev model) item

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

Kiselev equilibrium constant
solute concentration (equilibrium)
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

complex formation constant
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