The increasing need for sustainable methods to remove pharmaceutical contaminants like cephalexin and improve water desalination is critical. This study explores ZnO/nZVI nanoparticles synthesized with Jackfruit peel extracts as eco-friendly, cost-effective adsorbents, enhancing water purification in solar desalination systems. This work used a matte black paint coating within a double slope U-shaped solar distiller (DSUD) in a discontinuous experimental setting to examine potential improvements in solar distillation performance. Activated carbon (AC) and bioactive powdered nanoparticles of ZnO/nZVI (nano zerovalent iron), produced from jackfruit peel extracts (JP) were combined in a synergistic way. The effectiveness of cephalexin removal was assessed taking into account the JPAC solution parameters, reaction duration, ZnO/nZVI concentrations in the nanocomposite dosage, and initial nanocomposite concentration. The best conditions for cephalexin adsorption were found to be pH 5 and reaction time of 50 min, which resulted in high absorption efficiencies of 94.74% (nZVI) and 97.53% (ZnO) at room temperature with a JPAC dose of 2.50 g L⁻1. The efficiency of the eco-friendly adsorbent in getting rid of cephalexin was calculated using “pseudo-second-order kinetics” for nanocomposites, which is consistent with the “Langmuir” isothermal absorption process. The nanocomposites as absorbent materials in solar thermal desalination processes, efficient heat transmission and energy storage have been established. JPAC and the addition of steel balls (S) with a silver hue to the DSUD improved the internal heat transfer mechanisms. Thermodynamic of Gibbs free energy and the Laplacian method (TGL), two thermodynamic concepts, were used to extensively study the temperature dynamics of the DSUD with SJPAC components. For ZnO/JPAC, an exceptional distillate production rate was noted from 8:00 to 18:00, with a noteworthy 4.932 L/m2 output in winter and 5.833 L/m2 per day in summer. Using silver balls, ZnO/JPAC generated significant yields over a 24-h period: 8.957 L/m2 in summer and 7.253 L/m2 in winter, with an ideal energy efficiency of 51.05%. The unique advancements in TGL procedures and their environmental consequences are presented in this paper. The field of thermal energy transduction will advance if silver balls are used in DSUD for the synthesis of JPAC, ZnO/JPAC, and nZVI/JPAC, as supported by the theoretical insights presented here.