nonlinear_langmuir: Non-linear Langmuir Model

In AdsorpR: Adsorption Isotherm Models

Non-linear Langmuir Model

Description

The non-linear Langmuir isotherm model describes monolayer adsorption onto a surface with a finite number of identical sites. It assumes uniform adsorption energies and no interaction between adsorbed molecules.

The model is defined as:

Q = \frac{Q_{\max} \cdot K_L \cdot C_e}{1 + K_L \cdot C_e}

where Q is the amount adsorbed, C_e is the equilibrium concentration, Q_{\max} is the maximum adsorption capacity, and K_L is the Langmuir constant.

This function fits the model using non-linear least squares (nls) regression.

Usage

nonlinear_langmuir(Ce, Qe)

Arguments

Ce	Numeric vector of equilibrium concentrations.
Qe	Numeric vector of amount adsorbed.

Value

A named list of Langmuir parameters and model details, including estimated parameters, model statistics, and a diagnostic plot.

See Also

Other nonlinear models: nonlinear_bet(), nonlinear_freundlich(), nonlinear_temkin()

Examples

Ce <- c(1, 2, 4, 6, 8, 10)
Qe <- c(0.9, 1.6, 2.3, 2.7, 2.9, 3.0)
result <- nonlinear_langmuir(Ce, Qe)
print(result$`Langmuir Qmax (mg/g)`)
print(result$`Langmuir KL (L/mg)`)
print(result$AIC)
print(result$`Pseudo R2`)
print(result$Plot)

AdsorpR documentation built on April 12, 2025, 1:23 a.m.