Linear parameter estimation (Hill-de Boer model)

Hill-de Boer model

computational task, linear task

MaRDI QIDQ6775823FDOCommunityMathModDB

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.

Contained entities

interaction energy constant		output
solute concentration (equilibrium)		input
fractional surface coverage	$\theta \equiv \frac{q_e}{q_m}$	input
	$\theta \equiv \frac{V}{V_m}$
	$\theta$ 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
Hill-de Boer equilibrium constant		output
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

Further links

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

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