Exploring statistical physics principles for superior Pefloxacin extraction from water via halloysite nanotubes: Stereographic and topographic evaluation

Abstract

This novel research incorporates statistical physics methodologies to microscopically scrutinize and interpret the retention dynamics of Pefloxacin from aqueous solutions via Halloysite Nanotubes (HNTs) for water detoxification. Measurement points were matched under the scope of four distinct statistical isotherm frameworks: the single-energy monolayer, dual-energy monolayer, tri-energetic monolayer, and dual-energy bilayer. An error quantification approach, incorporating R², reduced Chi-Square, RSS, and R²_adj, identified the dual-energy bilayer as the most suitable model. Rooted in the more realistic scenario, stereographic, energetic and thermodynamic parameters in addition to the pore size distribution (PSD) and adhesion energy distribution (AED) functions have been successfully developed and applied to examine the intricate details of the docking mechanisms. Stereographic examination unveiled that the linking cavities preferentially capture a majority of the attached species with n > 1 at specific temperatures indicating a specific-anchorage mechanism with substantial aggregation. Statistical thermodynamic exploration evidenced that the retention operation in this study is entropy-driven, and endothermic. Combining temperature and concentration impacts gives entropy a more complex behavior. Finally, the PSD and AED assessments revealed the mesoporous geometric size and energetic surface heterogeneity confirming the endothermic nature and physisorption-dominated mechanism (<25 kJ/mol) of the Pefloxacin/HNTs area-anchoring.