Computational Modeling and Nano-Synthesis of Graphene-Graphite Mixtures for Organic Pollutant Capture from Industrial Water-Drains

摘要

Computational modeling and visualization studies were performed using computerized advanced programs. The theoretical investigations was succeeded to design Graphene-Graphite mixtures nano-surface catalyst to apply as nano-molecular sieving materials.The synthesized molecular sieving was carefully characterized by both of XRD and AFM to prove the internal structure of the new molecular sieving material. Capture efficiency towards some selected organic herbicides (such as carbaryl pesticide) was examined and investigated in presence of H2O2 which loaded over material surface of G1-G2 (Graphene-Graphite mixture). Hydrogen peroxide 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 carbaryl insecticides. Some of the kinetic parameters were investigated in this article, results obtained indicate that, the rate of oxidative degradation of pesticides (carbaryl insecticides) were found to be pH-dependent. The mechanism was proposed and the activation parameters were calculated.