nonlinear parameter estimation (Fowler-Guggenheim isotherm model)

Community: MathModDB

computational task

nonlinear task

Available identifiers

MaRDI QIDQ6820963

nonlinear estimation of Fowler–Guggenheim parameters, named after Edward A. Guggenheim, Ralph H. Fowler

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.

List of contained entities

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
Fowler-Guggenheim 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
solute concentration (equilibrium)

Further items linking to nonlinear parameter estimation (Fowler-Guggenheim isotherm model)

Item	Property
Fowler-Guggenheim isotherm model	used by

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