linear parameter estimation (Hill-de Boer model)

Community: MathModDB

computational task

linear task

Available identifiers

MaRDI QIDQ6775823

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

Description

This task performs linear 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 linearized Hill–de Boer equation to measured equilibrium concentration and fractional surface coverage data. The resulting parameters describe adsorption affinity and the strength of lateral interactions among adsorbed molecules.

List of contained entities

Hill-de Boer equilibrium constant
fractional surface coverage	$\theta \equiv \frac{q_e}{q_m}$	input
	$\theta$ represents fractional surface coverage
	$q_e$ represents adsorbed solute (equilibrium)
	$q_m$ represents maximum monolayer adsorption capacity
interaction energy constant
linear Hill-de Boer equation	$\ln (\frac{C_e(1-\theta )}{\theta })-\frac{\theta }{1-\theta }=-\ln K_1-\frac{K_2\theta }{RT}$
	$C_e$ represents solute concentration (equilibrium)
	$\theta$ represents fractional surface coverage
	$K_1$ represents Hill-de Boer equilibrium constant
	$K_2$ represents interaction energy constant
	$R$ represents molar gas constant
	$T$ represents temperature
solute concentration (equilibrium)

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

Item	Property
Hill-de Boer isotherm model	used by
nonlinear parameter estimation (Hill-de Boer model)	linearized by

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