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Fabricating nano-sized BiVO4/InVO4/g-C3N4 photocatalysts for efficient degradation of Acid Blue 92 azo dye

Posted on 31. August, 2018.

Photocatalysis using semiconductors has received considerable interest in both the scientific and engineering areas. Especially, metal oxide semiconductor photocatalysts have been widely studied for environmental applications such as cleaning of air and the removal of hazardous compounds from wastewater. 

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Effect of the gas-phase reaction on hydrogen microcombustion in a Pt/γ-Al2O3 catalytic plane channel with detailed chemical kinetic mechanisms

Posted on 11. February, 2015.

Micro-combustors are emerging as a powerful tool for the portable production of energy. The combustion-based micro-power generation systems may eventually replace environmentally non-benign and expensive lithium batteries in many devices due to the high energy density of hydrocarbon fuels (40 for hydrocarbon fuels versus 0.5 MJ kg-1 for lithium batteries).

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Towards understanding the role of Lewis acid on the regioselectivity and mechanism for the acetylation reaction of 2‑benzoxazolinone with acetyl chloride: a DFT study

Posted on 15. January, 2015.

This paper in Progress in Reaction Kinetics and Mechanism is a theoretical study of the role of the Lewis acid on the regioselectivity in the acylation reaction of 2‑benzoxazolinone with acetyl chloride and has been carried out through DFT calculations at the B3LYP/6-31G** level of theory. 

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Quantum mechanical study on the rate determining steps of the reaction between 2-aminopyrimidine with dichloro-[1-methyl-2-(naphthylazo) imidazole] palladium(II) complex

Posted on 4. December, 2014.

In this work, using quantum mechanics, the mechanism of reaction between 2-aminopyrimidine with dichloro-[1-methyl-2-(naphthylazo) imidazole] palladium(II) complex was investigated. The reaction produces two five-coordinated intermediates which are converted into final products through two possible pathways (nucleophile-dependent pathway and solvent-dependent pathway).

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Efficient heterogeneous catalyst for biodiesel production from soybean oil over modified CaO

Posted on 14. November, 2014.

To solve environmental pollution and the depletion of fossil resources in the world, biodiesel is viewed as a renewable and economic fuel. Fatty acid methyl esters, as biodiesel, derived from seed oils or animal fats, have already been found to be an attractive alternative fuel in diesel engines.

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Photocatalytic degradation kinetics of Congo Red dye in a sonophotoreactor with nanotube TiO2

Posted on 17. September, 2014.

Nanotechnology can been used to improve textile properties giving them multi-functional characteristics. Thus, the application of nanoparticles on textile materials has been the object of much research, producing finished fabrics with different functional performances.

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Mechanism of the water-catalysed addition between melamine and formaldehyde: a theoretical investigation

Posted on 18. August, 2014.

The nucleophilic addition reactions of carbonyl compounds with water and amines are of fundamental importance in organic chemistry. The reaction between water and formaldehyde is a simple and typical example of hydration of carbonyl compounds. Theoretical studies have been carried out on this reaction aiming to find those details that cannot be observed by experimental methods.

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Kinetic and mechanistic aspects of ligand substitution on cis- diaqua (cis-1,2-diaminocyclohexane)platinum(II) with three glycine-containing dipeptides

Posted on 7. August, 2014.

The discovery of cisplatin as an anticancer agent marks the beginning of the upsurge of interest in the use of metal complexes in cancer chemotherapy. However, cisplatin has a narrow spectrum of activity, and its clinical use is limited by undesirable side effects, including nephrotoxicity, ototoxicity, neurotoxicity, nausea, vomiting, and myelosuppression.

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Computational mechanistic study of the gas phase oxidation of methanol with ozone

Posted on 31. July, 2014.

One important aim of modern combustion chemistry is to design and analyse possible new forms of non-petroleum-based fuel or fuel components for use in combustion engines.Methanol can be considered as one of the simplest oxygenated hydrocarbon compounds in this regard.

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