Nonlinear parameter estimation (Hill-de Boer model)

Hill-de Boer model

computational task, nonlinear task

MaRDI QIDQ6775822FDOCommunityMathModDB

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.

Contained entities

interaction energy constant		output
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
solute concentration (equilibrium)		input
Hill-de Boer equilibrium constant		output
Hill-de Boer equation	$K_1{C}_e=\frac{\theta }{1-\theta }\exp (\frac{\theta }{1-\theta }-\frac{K_2\theta }{RT})$
	$K_1$ represents Hill-de Boer equilibrium constant
	$C_e$ represents solute concentration (equilibrium)
	$\theta$ represents fractional surface coverage
	$K_2$ represents interaction energy constant
	$R$ represents molar gas constant
	$T$ represents temperature

Further links

Item	Property
Hill-de Boer isotherm model	used by

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