Optimization of the adsorption of lead (II) by hydroxyapatite using a factorial design: Density functional theory and molecular dynamics - El Hammari, L.; Hamed, R.; Azzaoui, K.; Jodeh, S.; Latifi, S.; Saoiabi, S.; Boukra, O.; Krime, A.; Boukra, A.; Saoiabi, A.; Hammouti, B.; Khan, M. M.; et al. (Frontiers in environmental science, 2023)
Keywords: Adsorbates; Adsorbents; Adsorption; Aqueous solutions; Chemical synthesis; Chemisorption; Density functional theory; Environmental science; Equilibrium; Factorial design; Fourier transforms; Hydroxyapatite; Infrared analysis; Lead; lead (II); Metals; Molecular dynamics; Optimization; Pollutants; pollution; Regression coefficients; Scanning electron microscopy; Spectrum analysis; Temperature effects; Water treatment; X-ray diffraction