{ "_id": "6a1d5c481d7bb097a0a4898c", "Package": "SHAKTI", "Type": "Package", "Title": "Suite for Heat-Related Adsorption Knowledge and Thermodynamic\nInference", "Description": "A comprehensive framework for quantifying the fundamental\nthermodynamic parameters of adsorption reactions—changes in the\nstandard Gibbs free energy (delta G), enthalpy (delta H), and\nentropy (delta S)—is essential for understanding the\nspontaneity, heat effects, and molecular ordering associated\nwith sorption processes. By analysing temperature-dependent\nequilibrium data, thermodynamic interpretation expands\nadsorption studies beyond conventional isotherm fitting,\noffering deeper insight into underlying mechanisms and\nsurface–solute interactions. Such an approach typically\ninvolves evaluating equilibrium coefficients across multiple\ntemperatures and non-temperature treatments, deriving\nthermodynamic parameters using established thermodynamic\nrelationships, and determining delta G as a\ntemperature-specific indicator of adsorption favourability.\nThis analytical pathway is widely applicable across\nenvironmental science, soil science, chemistry, materials\nscience, and engineering, where reliable assessment of sorption\nbehaviour is critical for examining contaminant retention,\nnutrient dynamics, and the behaviour of natural and engineered\nsurfaces. By focusing specifically on thermodynamic inference,\nthis framework complements existing adsorption isotherm-fitting\npackages such as “AdIsMF”\n\n, and strengthens the\nscientific basis for interpreting adsorption energetics in both\nresearch and applied contexts. Details can be found in Roy et\nal. 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