nonlinear parameter estimation (Flory-Huggins model)

Community: MathModDB

computational task

nonlinear task

Available identifiers

MaRDI QIDQ6820982

nonlinear estimation of Flory–Huggins parameters, named after Maurice Loyal Huggins, Paul Flory

Description

This task fits the nonlinear Flory–Huggins equation to adsorption data to estimate the Flory–Huggins equilibrium constant and the occupancy number. It uses experimental initial and equilibrium concentrations and measured uptake to directly obtain parameter estimates without data linearization. The outputs quantify the effective site occupancy per adsorbate and the equilibrium parameter used to evaluate spontaneity.

List of contained entities

Flory-Huggins equation	$\frac{\theta }{C_0}=K_{FH}(1-\theta {)}^{n_m}$
	$C_0$ represents initial solute concentration
	$\theta$ represents degree of surface coverage
	$K_{FH}$ represents Flory-Huggins equilibrium parameter
	$n_m$ represents Flory-Huggins occupancy number
Flory-Huggins equilibrium parameter
Flory-Huggins occupancy number
degree of surface coverage	$\theta \equiv 1-\frac{C_e}{C_0}$	input
	$C_0$ represents initial solute concentration
	$C_e$ represents solute concentration (equilibrium)
	$\theta$ represents degree of surface coverage
initial solute concentration

Further items linking to nonlinear parameter estimation (Flory-Huggins model)

Item	Property
Flory-Huggins isotherm model	used by

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