Slope_Intercept

Generates slope and intercept values from temperature-dependent lnKd data using linear regression, and the corresponding coefficient of determination (\(R^2\)) values. These coefficients form the basis for calculating the thermodynamic parameters, providing a simple and transparent bridge between experimental equilibrium measurements and thermodynamic interpretation.

A comprehensive framework for quantifying the fundamental thermodynamic parameters of adsorption reactions—changes in the standard Gibbs free energy (delta G), enthalpy (delta H), and entropy (delta S)—is essential for understanding the spontaneity, heat effects, and molecular ordering associated with sorption processes. By analysing temperature-dependent equilibrium data, thermodynamic interpretation expands adsorption studies beyond conventional isotherm fitting, offering deeper insight into underlying mechanisms and surface–solute interactions. Such an approach typically involves evaluating equilibrium coefficients across multiple temperatures and non-temperature treatments, deriving thermodynamic parameters using established thermodynamic relationships, and determining delta G as a temperature-specific indicator of adsorption favourability. This analytical pathway is widely applicable across environmental science, soil science, chemistry, materials science, and engineering, where reliable assessment of sorption behaviour is critical for examining contaminant retention, nutrient dynamics, and the behaviour of natural and engineered surfaces. By focusing specifically on thermodynamic inference, this framework complements existing adsorption isotherm-fitting packages such as “AdIsMF” <https://CRAN.R-project.org/package=AdIsMF> <doi:10.32614/CRAN.package.AdIsMF>, and strengthens the scientific basis for interpreting adsorption energetics in both research and applied contexts. Details can be found in Roy et al. (2025) <doi:10.1007/s11270-025-07963-7>.

Debopam Rakshit

SHAKTI

Suite for Heat-Related Adsorption Knowledge and Thermodynamic
Inference

Arkaprava Roy

Siba Prasad Datta

Kanchikeri Math Manjaiah

Mandira Barman

Debashis Mandal

Slope_Intercept function

<dl><dt>lnKd</dt>
<dd>Natural logarithm of distribution coefficient</dd>
<dt>Temp</dt>
<dd>Temperature in Kelvin</dd></dl>

Arguments

Estimation of Slope and Intercept — Slope_Intercept

<dl>

<dt>lnKd</dt>
<dd>Natural logarithm of distribution coefficient</dd>


<dt>Temp</dt>
<dd>Temperature in Kelvin</dd>

</dl>

Slope_Intercept: Estimation of Slope and Intercept

Description

Usage

Value

Arguments

References

Examples