Abstract

Green routes for remediation of heavy metals are worldwide challenges to overcome pollution problems on one hand and control the adverse impact of chemicals on the other hand. Biosorption is one of the most effective methods for removing lower level of heavy metals. The idea to apply natural resources as a green method for removal of heavy metals, this route has no adverse impacts on the environment. This study investigated the ability of chemically modified Ziziphus spina-christi stones (ZSCs) as agriculture by-products to perform the biosorption of Pb(II), Zn(II) and Cd(II) ions from wastewater in a single and ternary metal system. The characteristic functional groups of chemically modified ZSCs were analyzed by Fourier transform infrared. In comparison with acidic ZSCs, alkali-modified ZSCs by KOH was more effective and enhanced the removal efficiency of ZSCs. Using Langmuir isotherm, the maximum adsorption capacity on the modified ZSCs for Pb(II) was 9.06 mg/g, for Zn(II) obtained by using ZSC–citric acid was 4.19 mg/g and 5.38 mg/g for Cd(II) as obtained by using ZSC–H2O2. The molecular electrostatic potential, which was calculated at B3LYP/6-31G(d,p), indicated that each metal is di-hydrated, forming a complex with two units of amino acids. This mechanism demonstrated the uptake process by ZSCs.

Highlights

  • Green routes for remediation of heavy metals are worldwide challenges to overcome pollution problems on one hand and control the adverse impact of chemicals on the other hand

  • The high affinity of biosorbents towards metal ions is owed to their surface chemistry, which consists of many reactive functional groups characterized by their unique hydrogen bonding, which is the effective tool for remediation heavy metals from w­ astewater[6,7]

  • Fourier transform infrared (FTIR) analysis was applied to raw and chemically modified Ziziphus spina-christi stones (ZSCs) in order to characterize the chemical functional groups that are responsible for the removal process

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Summary

Introduction

Green routes for remediation of heavy metals are worldwide challenges to overcome pollution problems on one hand and control the adverse impact of chemicals on the other hand. The high affinity of biosorbents towards metal ions is owed to their surface chemistry, which consists of many reactive functional groups characterized by their unique hydrogen bonding, which is the effective tool for remediation heavy metals from w­ astewater[6,7]. Those dealing with environmental ­interactions[31,32] This paves the way toward, applying molecular modeling to investigating the mechanism of interaction between heavy metals and modified ZSCs. the present work is conducted in order to enhance the capacity of a green route based on natural material (ZSCs) which modified by different chemical modifying agents for the biosorption of Pb(II), Zn(II) and Cd(II) ions from aqueous solution in single and ternary metal systems. The active sites of interaction are indicated in terms of the electrostatic potential (ESP) and studied with the B3LYP/6-31G(d,p) molecular modeling approach

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