International Journal of New Chemistry

140-147

Authors: Zahra Heydari

In this article,the dissolution of Boric acid in different temperature conditions, with density functional theory (DFT) is studied. the Boric acid with chemical formula H3BO3 (sometimes written B(OH)3), and exists in the form of colorless crystals or a white powder that dissolves in water and produces Tetra hydroxy borate with the chemical formula [B(OH)4]− in different conditions of temperature, with density functional theory method were studied. For this purpose, at first the material contained in the both sides of reaction were geometrically optimized, and then the calculation of the thermodynamic parameters performed on all of them. The amount of ∆H, ∆S and ∆G of this reaction at different temperatures in form of sum of parameters discrepancy in the products than reactants is obtained. And finally, the best temperature for the synthesis of explosiveaccording to the obtained thermodynamic parameters were evaluated.

159-171

Authors: Masoud Mohammadi Zeydi; Masoumeh Sedighi Gildeh

In this work, γ-Fe2O3@KSF as a stable heterogeneous and magnetic catalyst was prepared by the successive coating of γ-Fe2O3 shell on KSF core. The prepared reagent was characterized using different methods including FT-IR, XRD, TGA and SEM techniques and used for the one-pot synthesis of pyrano-pyrimidinone derivatives. All reactions were performed under mild conditions, during short reaction times in high yields. The catalyst could be easily recovered by an external magnet and reused several times without any considerable loss of its activity.

181-187

Authors: Elshadi Hegin; Jai Shalini; Alagappan Subramaniyan

Nanocomposites have improved aspect ratio and better mechanical properties when compared to the composites which had structures less than 100nm They are 1000 times tougher compared to conventional composites. Besides mechanical properties, nanocomposites also have improved electrical conductivity, thermal stability, chemically resistant, flame retardant and low permeability. TiO2 finds its best application in the field of photo catalytic activity and it is used in sunscreen lotions since it is resistant to UVA(315-400nm) and UVB(280-315nm). Fe2O3 is used as the pigment in construction of roof tiles, pavers, plaster etc. It is used as a polishing agent for glass, diamonds and it is dental abrasive. It is reported that a nanocomposites of TiO2- Fe2O3 have improved visible water light splitting, and photocatalytic degradation of pollutants.The acute toxicity of the oxide nanoparticles make them suitable for their applications.The objective of the present work is to synthesize composites of titanium dioxide -iron oxide by a simple sol gel route in laboratory scale and to validate them as nanoparticles for preparation of nanofluids.