Advanced Equilibrium Modeling for the Synergetic Effect of β-Cyclodextrin Integration on the Adsorption Efficiency of Methyl Parathion by β-Cyclodextrin/Exfoliated Kaolinite Nanocomposite

Nourhan Nasser; Ahmed Rady; Wail Al Zoubi; Ahmed A Allam; Mostafa R Abukhadra

doi:10.1021/acsomega.3c07088

Advanced Equilibrium Modeling for the Synergetic Effect of β-Cyclodextrin Integration on the Adsorption Efficiency of Methyl Parathion by β-Cyclodextrin/Exfoliated Kaolinite Nanocomposite

ACS Omega. 2023 Dec 8;8(50):48166-48180. doi: 10.1021/acsomega.3c07088. eCollection 2023 Dec 19.

Authors

Nourhan Nasser^{1

2}, Ahmed Rady³, Wail Al Zoubi⁴, Ahmed A Allam⁵, Mostafa R Abukhadra^{1

2}

Affiliations

¹ Geology Department, Faculty of Science, Beni-Suef University, Beni Suef City 62511, Egypt.
² Materials Technologies and Their Applications Lab, Faculty of Science, Beni-Suef University, Beni Suef City 62511, Egypt.
³ Department of Zology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia.
⁴ Materials Electrochemistry Laboratory, School of Materials Science and Engineering, Yeungnam University, Gyeongsan 38541, Republic of Korea.
⁵ Zoology Department, Faculty of Science, Beni-Suef University, Beni-Suef 62511, Egypt.

Abstract

Exfoliated kaolinite nanosheets (EXK) and their hybridization with β-cyclodextrin (β-CD/EXK) were evaluated as potential-enhanced adsorbents of methyl parathion (MP) in synergetic investigations to determine the effects of the different modification procedures. The adsorption behaviors were described on the basis of the energetic steric and energetic factors of the specific advanced equilibrium models (monolayer model of one energy). The functionalization process with β-CD enhanced the adsorption behaviors of MP considerably to 350.6 mg/g in comparison to EXK (291.7 mg/g) and natural kaolinite (K) (244.7 mg/g). The steric studies revealed a remarkable improvement in the quantities of the existing receptors after exfoliation (N_m = 134.4 mg/g) followed by β-CD hybridization (N_m = 162.3 mg/g) as compared to K (75.7 mg/g), which was reflected in the determined adsorption capacities of MP. Additionally, each active free site of β-CD/EXK can adsorb about 3 molecules of MP, which occur in a vertical orientation by types of multimolecular mechanisms. The energetic investigations of Gaussian energy (<8.6 kJ/mol) and adsorption energy (<40 kJ/mol) validate the physical adsorption of MP, which might involve the cooperation of dipole bonding forces, van der Waals, and hydrogen bonding. The properties and entropy values, free enthalpy, and intern energy as the investigated thermodynamic functions declared the exothermic and spontaneous behaviors of the MP adsorption.