In this study, B12N12 Nano ring has been selected because it consist of four 6-side rings and polar bonds B-N which in comparison with non-polar bonds C-C, is more suitable for the study of the absorption of other compounds. So reactivity and stability of Benzene alone and in the presence B12N12 nano ring field checked. To determine the non-bonded interaction energies between Benzene and B12N12...

This paper focuses on the effects of the addition of an ionic liquid, 1-Allyl-3-butylimidazilium bis(trifluoromethane sulfonyl)imide ([ABIM]TFSI), which has a high affinity for benzene, into the poly(vinyl chloride) (PVC) membrane on the pervaporation characteristics of the removal of benzene from aqueous solutions of dilute benzene. When aqueous solutions of 100～500 ppm benzene were permeated ...

The stepwise hydrogenation of the C=C bond and C=O group of acrolein on Au3 and Au5 model systems is investigated using the density functional theory(DFT) PW91 functional. Our results show that the C=C hydrogenation is more favorable than that of C=O bond on Au3 with the barriers of the rate-determining step being 0.35 and 0.62 eV respectively. On the other hand, the C=O reduction is preferred ...

The recent wave of detections interstellar aromatic molecules has sparked interest in the chemical behavior under astrophysical conditions. In most cases, these have been made through chemically related molecules, called proxies, that implicitly indicate presence a parent molecule. this study, we present results theoretical evaluation hydrogenation reactions different (benzene, pyridine, pyrrol...

The kinetics of toluene hydrogenation over Ni-supported catalysts with various supports was investigated under the wide range of conditions as 130 to 210 °C reaction temperature, 2.6×10-5 to 5.9×10-5 atm partial pressure of hydrogen and 1.4×10-9 to 3.7×10-8 atm partial pressure of toluene. For more study, two kinetics models were also selected and studied to describe the kinetics of this proces...

Alkenes that normally do not react with LiAlH4 (3-hexene, cyclohexene, 1-Me-cyclohexene), can be reduced to the corresponding alkanes by a mixture of and Fe0 (the iron was activated Metal-Vapour-Synthesis). This alkene-to-alkane conversion stoichiometric quantity LiAlH4/Fe0 does need quenching water or acids, implying both H's originate from LiAlH4. The combination is also remarkably potent coo...

Well-distributed Ru nanoparticles (Ru-NPs) were produced over Al(2)O(3) supports modified with covalently anchored imidazolium ionic liquids (ILs) containing different anions and cation lateral alkyl chain lengths by simple sputtering from a Ru foil. These Ru-NPs were active catalysts for the hydrogenation of benzene. Furthermore, depending on the nature of the IL used to modify the support (hy...