linear parameter estimation (Flory-Huggins model)

Community: MathModDB

computational task

linear task

Available identifiers

MaRDI QIDQ6820983

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

Description

This task uses the linearized Flory–Huggins equation to estimate the equilibrium constant and occupation number from transformed equilibrium data. Linear regression provides a straightforward estimation method, but may introduce bias due to logarithmic transformation. The resulting parameters characterize adsorption feasibility and the extent of surface site occupation in the Flory–Huggins model.

List of contained entities

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

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

Item	Property
Flory-Huggins isotherm model	used by
nonlinear parameter estimation (Flory-Huggins model)	linearized by

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