International Journal of Modern Chemistry
ISSN: 2165-0128 (online)Search Article(s) by:
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Current Issue: Vol. 10 No. 2or Keyword in Title:
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Table of Content for Vol. 10 No. 2, 2018

Theoretical Evaluation of Pyrazolo[3,4-d]pyrimidine-thiones Analogues as Corrosion Inhibitors for Carbon Steel in Hydrochloric Acid
OYEBAMIJI Abel Kolawole, LASISI Bukola Mary, OYEBAMIJI Esther Opeyemi, ADEGOKE Adesina Kayode, SEMIRE Banjo and ADELEKE Babatunde Benjamin
 PP. 138 - 153
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ABSTRACT: Quantum chemical calculations via B3LYP/6-31G(d,p) level was carried out on pyrazolo[3,4-d]pyrimidine-thiones derivatives and these were used as corrosion inhibitors. The calculated descriptors such as EHOMO and ELUMO energies, band-gap, dipole moment, chemical potential (μ), chemical hardness (ղ) and global nucleophilicity (ɷ) were reported. The descriptors were discussed in connection to the experimental inhibitory efficiency. The developed quantitative structure activity relationship (QSAR) model showed that three quantum chemical descriptors (dipole moment, solvation energy and lipophilicity) perfectly describe the inhibitory efficiency of pyrazolo[3,4-d]pyrimidine-thiones derivatives.

Bioavailability and Plants Uptake of Selected Heavy Metals (Pb, Zn, Cr, Cd, Ni, As and Hg) in Akwana Mining Sites and Environs, Wukari, Taraba State. Nigeria
B. N. Hikon, G. O. Egah, G. S. Ngantem, and D. D Bwede
 PP. 154 - 171
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ABSTRACT: The concentration of heavy metals determined were within the maximum permissible limits of soil except for Arsenic in the mining site that is slightly above the permissible limits (0.21mg/kg). This could be attributed to the mining activities, transport mechanism, agricultural activities and atmospheric depositions on the site. The percentage bioavailability of all the metals analyzed were higher than 50% and above in all the sites with the exception of Cr (49.50%) in the control site. This indicates that the metals are mobile and hence bioavailable to plants. From the results of this analyses, there is a strong positive correlation (ρ≈0.93) between the plants and soil obtained from the mining sites, also a strong positive correlation between the maize grains obtained from the mining and control sites (ρ≈ 0.84) and between the maize grains and soil obtained from the control site (ρ≈0.61). This indicates that as the concentration of the heavy metals increases in soil the more the rate at which plants absorb and store these metals. The transfer factors (tf) for the metal in the soil obtained from the mining site were significantly different from those for control site and according to the type of plants. The highest transfer factor values are 0.171; 0.097, 0.161; 0.102, 0.032; 0.029 and 0.096; 0.054 for Zn, Cd, As and Hg in the maize grains obtained from the mining and control site, though less than unity, (this implies that the concentrations of heavy metals in plants are less than the concentration in soils) but the concentration of Pb, Cd, As and Hg in maize grains grown in the mining site were found to be higher and slightly above the permissible limit (0.01, 0.01, 0.01 and 0.001mg/kg).

Photocatalytic Activity of Nano Modified ZnO
S. A. El-Hakam, H. Z. El-Shenawy, A. G. Abd-El-Hameed, Z. A. El-Samia
 PP. 172 - 184
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ABSTRACT: In this work, ZnO photocatalyst and ZnO with different percentage of MCM-41 (1 wt. %, 3 wt. %, 5 wt. % and 8wt. %MCM-41) was synthesized by precipitation method. The photocatalytic activity of ZnO loaded MCM-41 was studied by the degradation of methylene blue in presence of UV/visible mercury lamp. The effects of preparation conditions such as MCM-41 weight percentage of MCM-41/ZnO nanocomposites and calcination temperature on the photocatalytic activity of % MCM-41/ZnO nanocomposites were examined. In addition to the influences of UV light irradiation time, pH of dye solution, dye initial concentration and % MCM-41/ZnO amount as well as organic dyes on the photocatalytic degradation were also investigated. Kinetic study indicates that the photocatalytic degradation of methylene blue by MCM-41/ZnO nanocomposites is pseudo-first order reaction.

Preparation, Characterization and Potentiometric Studies on N-P-Tolylacrylamide (TAA)
L.A. Elatwy
 PP. 185 - 194
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ABSTRACT: N-P-Tolylacrylamide (PTAA) was prepared and characterized using different spectroscopic techniques. Four different compositions of copolymers of N-P-Tolylacrylamide (TAA) with methyl methacrylate (MMA) covering the entire composition range were prepared and characterized. The reactivity ratios of copolymerization were determined using 1H-NMR techniques. The proton-ligand dissociation constants of N-P-Tolylacrylamide (PTAA) and its metal stability constants with (Mn2+, Co2+, Ni2+ and Cu2+) have been determined potentiometrically in monomeric and polymeric forms using 2,2"-azobisisobutyronitrile as initiator. The potentiometric studies were carried out in 0.1 (KCl) and 10 % (by volume) methanol-water mixture. The effect of temperature was studied at (298, 308 and 318 K) and the corresponding thermodynamic parameters (ΔG, ΔH and ΔS) were derived and discussed. The dissociation process is non-spontaneous, endothermic and entropically unfavorable. The formation of the metal complexes has been found to be spontaneous, endothermic and entropically favorable.

Adsorption, Equilibrium and Kinetic Studies on the Removal of Methyl Orange Dye from Aqueous Solution by Using of Copper Metal Organic Framework (Cu-BDC)
Reda S. Salama, Sohier A. El-Hakam, Salem. E. Samra, Shady M. El-Dafrawy and Awad I. Ahmed
 PP. 195 - 207
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ABSTRACT: Metal organic framework (MOF) materials that are based on cupper -benzenedicarboxylates was prepared by solvothermal treatment and then characterized by XRD, TEM, SEM and FT-IR. Cu-BDC was applied to the adsorption of methyl orange (MO) from aqueous solution. It was shown that by increasing pH value of the methyl orange solution the adsorbed amounts of MO reduced, which reveals that the mechanism may be the charge interactions between the adsorbents and methyl orange dye. Adsorption isotherms and kinetics were determined from the experimental data and the results displayed that Langmuir adsorption isotherm and pseudo 2nd order kinetic model matched well for the adsorption of MO onto Cu-BDC.