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Modeling , Synthesis and Application of Highly Performance Nano-Surface Catalysts towards Degradation of Some Organic Pollutants and Heavy Metals Capture from Industrial Water Drains | Abstract
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Journal of Computational Methods in Molecular Design

Abstract

Modeling , Synthesis and Application of Highly Performance Nano-Surface Catalysts towards Degradation of Some Organic Pollutants and Heavy Metals Capture from Industrial Water Drains

Author(s): Khaled M. Elsabawy and Moamen S. Refat

New series of nano-molecular sieving were designated and visualized using computerized program DIAMOND IMPACT CRYSTAL version 3.2 and MERCURY version 2.3 Germany .The theoretical investigations was succeeded to design Hexa-Alumo-Silicates with chemical formula Na6Al6Si10O32 which has two different sizes of cavities to apply as nano-molecular sieving materials .The synthesized molecular sieving was carefully characterized via XRD and SEM to prove the internal structure of the new molecular sieving material. A kinetic studies were investigated carefully of two types pesticides degradation . H2O2 loaded over molecular sieving materials ( Na6Al6Si10O32 ) was applied as oxidative environmentally friend agent to decompose organic pollutant . The nano-synthesized molecular sieving exhibited very good efficiency towards captures of organic pollutant from industrial water drains such as atrazine herbicides and carbaryl insecticides in presence of hydrogen peroxide . Many of the kinetic parameters were investigated in this article, results obtained indicated that, the rate of oxidative degradation of pesticides (atrazine herbicides and carbaryl insecticides ) were found to be pH-dependent. The mechanism was proposed and the activation parameters were calculated.