nonlinear parameter estimation (Hill-de Boer model)

Community: MathModDB

computational task	nonlinear task

Available identifiers

MaRDI QIDQ6775822

Hill-de Boer model, named after Jan Hendrik de Boer, Terrell L. Hill

Description

This task performs nonlinear parameter estimation using experimental adsorption equilibrium data. The objective is to determine the Hill–de Boer constant and the interaction energy constant by fitting the nonlinear Hill–de Boer equation directly to measured equilibrium concentration and fractional surface coverage data. The results quantify adsorption affinity and the magnitude of lateral interactions between adsorbed molecules without the distortions introduced by linearization. This approach provides a more accurate representation of nonideal adsorption behavior described by the model.

List of contained entities

Further items linking to nonlinear parameter estimation (Hill-de Boer model)

Item	Property
Hill-de Boer isotherm model	used by

This page was built for task: nonlinear parameter estimation (Hill-de Boer model)

Hill-de Boer equation	$K_{1} C_{e} = \frac{θ}{1 - θ} \exp (\frac{θ}{1 - θ} - \frac{K_{2} θ}{R T})$
	$K_{1}$ represents Hill-de Boer equilibrium constant
	$C_{e}$ represents solute concentration (equilibrium)
	$θ$ represents fractional surface coverage
	$K_{2}$ represents interaction energy constant
	$R$ represents molar gas constant
	$T$ represents temperature

Hill-de Boer equilibrium constant
fractional surface coverage	$θ \equiv \frac{q_{e}}{q_{m}}$	input
	$θ$ represents fractional surface coverage
	$q_{e}$ represents adsorbed solute (equilibrium)
	$q_{m}$ represents maximum monolayer adsorption capacity

interaction energy constant
solute concentration (equilibrium)