Abstract
Study of the effect of some Nano metal oxides MOs as CuO, OCu, ZnO and OZn on some bio-polymers as Cellulose, Chitosan and Sodium Alginate. Thus, model structure of two unit organic polymer Cellulose, Chitosan and Sodium Alginate and they with Nano MOs
as CuO, OCu, ZnO and OZn are suggested. Density functional theory (DFT) conducted to study this effect atB3LYP/LANL2DZ. Computed HOMO-LUMO band gap energy(∆E) and Total dipole moment (TDM) indicated that Cellulose and Chitosan affected by Nano MOs that TDM increased and ∆E decrease while Sodium Alginate has a slight change that has no effect on it. Also, calculated electrostatic potential (ESP) indicated that Cellulose and Chitosan affected by Nano MOs specially with CuO while Sodium Alginate has no effect.
Publisher
AMG Transcend Association
Subject
Molecular Biology,Molecular Medicine,Biochemistry,Biotechnology
Cited by
29 articles.
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