nonlinear_temkin: Non-linear Temkin Model

In AdsorpR: Adsorption Isotherm Models

Non-linear Temkin Model

Description

The non-linear Temkin isotherm model accounts for indirect adsorbate–adsorbate interactions on heterogeneous surfaces. It assumes that the heat of adsorption decreases linearly with increasing coverage.

The model is given by:

Q = \frac{RT}{b_T} \cdot \ln(A_T \cdot C_e)

where Q is the amount adsorbed, C_e is the equilibrium concentration, R is the universal gas constant, T is the temperature in Kelvin, b_T is the Temkin constant related to adsorption heat, and A_T is the Temkin equilibrium binding constant.

This function fits the Temkin isotherm using non-linear least squares regression.

Usage

nonlinear_temkin(Ce, Qe, R = 8.314, T = 298)

Arguments

Ce	Numeric vector of equilibrium concentrations.
Qe	Numeric vector of amount adsorbed.
R	Universal gas constant (default is 8.314 J/mol·K).
T	Temperature in Kelvin (default is 298 K).

Value

A named list of Temkin parameters and model details, including estimated parameters, model diagnostics, and a diagnostic plot.

See Also

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

Examples

Ce <- c(0.5, 1.5, 3, 4.5, 6)
Qe <- c(0.7, 1.3, 2.0, 2.4, 2.7)
result <- nonlinear_temkin(Ce, Qe)
print(result$`Temkin A`)
print(result$`Temkin B`)
print(result$AIC)
print(result$`Pseudo R2`)
print(result$Plot)

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