Nonlinear parameter estimation (Fowler-Guggenheim isotherm model)

nonlinear estimation of Fowler–Guggenheim parameters

computational task, nonlinear task

MaRDI QIDQ6820963FDOCommunityMathModDB

Named after

Ralph H. Fowler, Edward A. Guggenheim

Description

This task performs nonlinear parameter estimation using adsorption equilibrium data to determine the Fowler–Guggenheim equilibrium constant and the interaction energy. The nonlinear Fowler–Guggenheim equation is fitted directly to fractional coverage and concentration data, capturing the effect of lateral interactions among adsorbed molecules. The results quantify both adsorption affinity and the magnitude of intermolecular interactions. This provides an accurate description of systems where adsorption behavior depends on the occupancy of neighboring sites.

Contained entities

solute concentration (equilibrium)		input
interaction energy		output
Fowler-Guggenheim equilibrium 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
Fowler-Guggenheim equation	$K_{FG}{C}_e=\frac{\theta }{1-\theta }\exp (\frac{2\theta W}{RT})$
	$K_{FG}$ represents Fowler-Guggenheim equilibrium constant
	$C_e$ represents solute concentration (equilibrium)
	$\theta$ represents fractional surface coverage
	$W$ represents interaction energy
	$R$ represents molar gas constant
	$T$ represents temperature

Further links

Item	Property
Fowler-Guggenheim isotherm model	used by

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