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# CITATION file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
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cff-version: 1.2.0
message: 'To cite package "SHAKTI" in publications use:'
type: software
license: GPL-3.0-only
title: 'SHAKTI: Suite for Heat-Related Adsorption Knowledge and Thermodynamic Inference'
version: 0.1.0
doi: 10.32614/CRAN.package.SHAKTI
abstract: 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>
  <https://doi.org/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) <https://doi.org/10.1007/s11270-025-07963-7>.
authors:
- family-names: Roy
  given-names: Arkaprava
- family-names: Rakshit
  given-names: Debopam
  email: rakshitdebopam@yahoo.com
- family-names: Datta
  given-names: Siba Prasad
- family-names: Manjaiah
  given-names: Kanchikeri Math
- family-names: Barman
  given-names: Mandira
- family-names: Mandal
  given-names: Debashis
repository: https://cran.r-universe.dev
commit: 2cceaf64847f034b1fff6ca4249e2c6eea3e9228
date-released: '2025-12-03'
contact:
- family-names: Rakshit
  given-names: Debopam
  email: rakshitdebopam@yahoo.com