Density functional theory (DFT) calculations have been performed to calculate the optimized geometries of stepwise fluorinated methylenecyclopentanes and 1-methylcyclopentenes. Increasing the number of fluorine atoms caused a destabilization of methylenecyclopentane. Perfluorinat...
Open access
Research Article10.9734/IRJPAC/2016/28775
Aim: To synthesize alkyd resin from sandbox seed oil and characterize the alkyd based on the physicochemical and structural properties. Place and Duration of Study: Department of Polymer and Textile Engineering, and Department of Soil Science Technology, both at Federal Universit...
Open access
Research Article10.9734/IRJPAC/2016/28997
Cellulose is an inexpensive, renewable, bio-based and an abundant raw material suitable for the development of filter membranes for water purification. This is because it has numerous functional groups that afford ease of modification to create active surfaces upon chemical modif...
Open access
Research Article10.9734/IRJPAC/2016/28548
Isothermal kinetics of exchange of absorbed water with ethanol in poly(acrylic acid) hydrogel was investigated at different temperatures: 295 K, 303 K and 313 K. By applying isoconversional and model-fitting methods it was found that the exchange of absorbed water with ethanol i...
Open access
Research Article10.9734/IRJPAC/2016/27998
A theoretical study was performed on the methylenecyclobutane and 1-methylcyclobutene in the gas and aqueous phases using PM3 and DFT calculations. Methylenecyclobutane was found to be more stable than 1-methylcyclobutene in the gas and aqueous phases according to PM3 calculation...
Open access
Research Article10.9734/IRJPAC/2016/28006
The disposal of a large amount of polymer waste is one of the major challenges of this century. Use of bio-degradable polymers obtained from sustainable sources presents a solution to this problem. Poly lactic acid (PLA), a bio-degradable polymer, can be synthesized from sustaina...
Open access
Research Article10.9734/IRJPAC/2016/27469
It has recently been shown that nitrogen radicals electrochemically deposited on carbon nanotube paper can catalyze reactions at the cathode of fuel cells. Density functional theory (DFT) is used to show that O2 and HO2 could adsorb on nitrogen radicals such as N2-, N4-, and N8-....
Open access
Research Article10.9734/IRJPAC/2016/27627
A suggested procedure was studied for recovering of uranium selectively from the Abu Zaabal impure phosphoric acid assaying about 46% P2O5 and about 3% iron. This procedure involves the application of an alcoholic precipitation step for most impurities by using isopropyl alcohol...
Open access
Research Article10.9734/IRJPAC/2016/27448
Millet starch (MS) was extracted from millet grains and modified using a physical method (pre-gelatinization). The corrosion inhibition effectiveness of millet starch on mild steel corrosion in 0.5 M H2SO4 solution was investigated using weight loss measurement, potentiodynamic p...
Open access
Research Article10.9734/IRJPAC/2016/27881
Sorption studies of copper (II) phthalocyanine tetrasulfonic sodium acid (CuPc) was done using a batch method with TiO2 powder as the adsorbent, and several variables such as initial concentration of the dye, contact time and TiO2 loading was determined. The sorption data were an...
Open access
Research Article10.9734/IRJPAC/2016/26179
In this study the reactivity of 3-nitrofuran acting as electrophile in their reactions with different dienes, was analyzed in theoretical form. Specifically, the mechanism of each DA reaction was explored. Moreover, considering the polar character of this type of cycloaddition re...
Open access
Research Article10.9734/IRJPAC/2016/27380
Aims: To synthesize some isoniazid-derived imines by the condensation of isoniazid (INH) with some substituted benzaldehydes as well as pyridine carboxaldehydes and to determine their structures by spectroscopic methods. Methodology: Isoniazid was mixed with equimolar amounts of...
Open access
Research Article10.9734/IRJPAC/2016/27100
A portion of neem oil was epoxidized using per acid generated in-situ. Polyesterification of crude neem oil (CNO) and epoxidized neem oil (ENO) was carried out using glycerol and phthalic anhydride to synthesize two different alkyd resins; crude neem oil modified alkyd resin (CNO...
Open access
Research Article10.9734/IRJPAC/2016/26098
This study is aimed at preparing collagen fiber from cow hide and to utilize it as cheap, effective and alternative adsorbent against the more expensive and relatively less effective techniques for the removal of Cu(II) ion from aqueous solution and to find a suitable pH, equilib...
Open access
Research Article10.9734/IRJPAC/2016/23392
Although Emodin is a well-known natural antioxidant, not much is documented on how the cleavage of its free O-H bond (non-hydrogen bond donor) is affected by solvation. Herein, we report on a Density Functional Theory (DFT) study of solvent effects on the enthalpy of homolytic an...
Open access
Research Article10.9734/IRJPAC/2016/27385