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

ORIENTAL JOURNAL OF CHEMISTRY • 2013
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معلومات البحث
المؤلفون A.I. EL-SHENAWY 1,3 *, A.H. ATTA 1,4 , F. A. KORA 1,5 ISSN: 0970-020 X CODEN: OJCHEG 2013, Vol. 29, No. (1): Pg. 01-08 * and KHALED M. ELSABAWY
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المجلة العلمية ORIENTAL JOURNAL OF CHEMISTRY
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publication.type International
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الملخص
Computational modeling and visualization studies were performed using computerized
anced 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 H
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 nanosynthesized
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.
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