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Hydrodesulfurization of Thiophene over $γ$-Mo2N catalyst
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Catalytic removal of the S-content from thiophene is a central step in efforts aiming to reduce the environmental burdens of transportation fuels. In this contribution, we investigate the hydrodesulfurization (HDS) mechanisms of thiophene (C4H4S) over γ-Mo2N catalyst by means of density functional theory (DFT) calculations. The thiophene molecule preferentially adsorbs in a flat mode over 3-fold fcc nitrogen hollow sites. The HDS mechanism may potentially proceed either unimolecularly (direct desulfurization) or via H-assisted reactions (hydrogenation). Due to a sizable activation barrier required for the first Csingle bondS bond scission of 54.6 kcal/mol, we predict that the direct desulfurization to contribute rather very insignificantly in the HDS mechanism. Transfer of adsorbed hydrogen atoms on the γ-Mo2N surface to the thiophene ring substantially reduces activation barrier required in the Csingle bondS bond scission to only 24.1 kcal/mol in a process that affords an adsorbed C4H6* species and an S atom. Further hydrogenation of the unsaturated C4H6* produces 2-butene. Kinetics and thermodynamics attributes dictate the occurrence of partial rather than full hydrogenation of C4H6*. Calculated rate constants for all individual steps could be utilized to construct a robust kinetic model for the overall HDS process. Estimated conversion values of thiophene predict 50–70% consumption of thiophene at 700 K and low values of gas hourly space velocities. Reaction routes and kinetic parameters provided herein are useful to design stand-alone γ-Mo2N-based catalysts for applications entailing partial hydrogenation and hydrodesulfurization of severely contaminated S-fuels.

Publication Date
Fri Sep 30 2016
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Catalytic Reforming of Iraqi Naphtha over Pt-Ti / HY Zeolite Catalyst
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In the present work, zeolite Y has been synthesized successfully by sol-gel method.Zeolite was synthesized by crystallization of the final gel which consist from seeding and feed stock gels at  85 oC. HY zeolite was prepared by an ion exchange process with ammonium chloride solution and then loaded with different percentages of  platinum and titanium by the wet - impregnation method.

X-ray Diffraction (XRD), X-ray Florescence (XRF), Scanning Electron Microscopy (SEM), BET surface area and, Crushing strength were used to characterize the synthesized and prepared catalysts . Results showed high crystallinity  90%  with silica to alumina ratio 5 for HY, high surface area of 600 m2/g and pore

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Publication Date
Mon Jun 05 2023
Journal Name
Journal Of Engineering
Hydrogenation of Nitrobenzene in Trickle Bed Reactor over Ni/Sio2 Catalyst
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Trickle bed reactor was used to study the hydrogenation of nitrobenzene over Ni/SiO2 catalyst. The catalyst was prepared using the Highly Dispersed Catalyst (HDC) technique. Porous silica particles (capped cylinders, 6x5.5 mm) were used as catalyst support. The catalyst was characterized by TPR, BET surface area and pore volume, X-ray diffraction, and Raman Spectra. The trickle bed reactor was packed with catalyst and diluted with fine glass beads in order to decrease the external effects such as mass transfer, heat transfer and wall effect. The catalyst bed dilution was found to double the liquid holdup, which increased the catalyst wetting and hence, the gas-liquid mass transfer rate. The main product of the hydrogenation reaction of n

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Publication Date
Fri Jan 01 2021
Journal Name
Journal Of Engineering
Catalytic Cracking of Furfural Extract-40 over Ni/HY-Zeolite Catalyst
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Modifying of HY/Zeolite is by loading nickel for applying catalyst in thermal catalytic cracking of furfural extract-40 from the lubricating base oil unit. The study involved the characterizing of HY-zeolite and promoted catalyst with nickel by X-ray diffraction analysis, Scanning electron microscopy (SEM), BET (Brunauer, Emmett, and Teller), and infrared ray analyses FTIR. The catalytic thermal cracking tubular reactor with a fixed bed with two type catalysts; HY/zeolite and Ni HY/zeolite, individually at a temperature of 580oC with LHSV 5h-1 was investigated. The results indicated that increase the conversion of catalytic cracking of furfural extract-40 also increases the yield of useful petroleum

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Publication Date
Sun Jan 01 2017
Journal Name
Catalysis Science & Technology
Mechanisms governing selective hydrogenation of acetylene over γ-Mo<sub>2</sub>N surfaces
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We demonstrate that the selective hydrogenation of acetylene depends on energy profile of the partial and full hydrogenation routes and the thermodynamic stability of adsorbed C2H2 in comparison to C2H4.

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Publication Date
Mon Dec 30 2013
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Kinetic Study and Simulation of Oleic Acid Esterification over Prepared NaY Zeolite Catalyst
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Esterification considers the most important reaction in biodiesel production. In this study, oleic acid was used as a suggested feedstock in order to study and simulate production of biodiesel. The batch esterification reaction of oleic acid was carried out at various operating conditions; temperature from 40 to 70 °C, ethanol to oleic acid molar ratio from 3/1 and 6/1 and a reaction time up to 180 min.
The catalyst used was prepared NaY zeolite, which is added to the reaction mixture as 2, 5 and 10 wt.% of oleic acid.
The results show that the optimum conditions, gives 0.81 conversion of oleic acid, were 6/1 molar ratio of ethanol/oleic acid, 5 wt.% NaY relative to initial oleic acid, 70°C and 60 minutes. The activation energy o

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Publication Date
Mon Mar 23 2020
Journal Name
Journal Of Engineering
Utilization of Glycerol for Glycerol Carbonate Synthesis via Transesterfication Reaction over Bio-Char Catalyst prepared from reed plant
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Biodiesel production process was attracted more attention recently due to the surplus quantity of glycerol (G) as a byproduct from the process. Glycerol Utilization must take in to consideration to fix this issue also, to ensure biodiesel industry sustainability. Highly amount of Glycerol converted to more benefit material Glycerol carbonate (GC) was one of the most allurement compound derived from glycerol by transesterification of glycerol with dimethyl carbonate (DMC). Various parameters have highly impact on transesterification was investigated like catalyst loading (1-5) %wt., molar ratio of DMC: glycerol (5:1 – 1:1), reaction time (30 - 150) min and temperature (40 – 80) ᴼC. The Optimum glycerol carbonate yie

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Publication Date
Mon Mar 30 2009
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Kinetic Studies of Hydrodesulfurization of Vacuum Distillate
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Vacuum gas oil (611-833)K was distilled from Kirkuk crude oil, which was obtained by blending the following fraction,
light vacuum gas oil (611 - 650) K, medium vacuum gas oil (650-690)K, heavy vacuum gas oil (690-727)K and very
heavy vacuum gas oil (727-833)K.
The vacuum gas oil was hydrotreated on a commercial cobalt-molybdenum alumina catalyst presulfied at specified
condition in a laboratory trickle bed reactor. The reaction temperature varied from (583-643)K over liquid hourly space
velocity ranging between (1.5-3.75)h-1 , Hydrogen pressure was kept constant at 3.5 MPa with a hydrogen to oil ratio
of about 250 L/L
The conversion results for desulfurization appeared to obey the second order kinetics. According to

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Publication Date
Sun Dec 30 2001
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Deasphaltening and Hydrodesulfurization of Basrah Vacuum Residue
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Publication Date
Thu Jul 01 2021
Journal Name
Journal Of Physics: Conference Series
Generalized Γ-n-Derivations on Prime Γ-Near-Rings
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Abstract<p>The main purpose of this paper is to define generalized Γ-n-derivation, study and investigate some results of generalized Γ-n-derivation on prime Γ-near-ring G and <italic>K</italic> be a nonzero semi-group ideal of <italic>G</italic> which force G to be a commutative ring.</p>
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Publication Date
Sun Jan 01 2023
Journal Name
Journal Of Interdisciplinary Mathematics
On maps of Γ -period 2 on prime Γ- near-rings
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We present the concept of maps Γ- periodi2 on Γ -near-ring S. Our main goal is to research and explore the presence and mapping traits such as h Γ –hom anti-Γ –hom, Γ –α-derivations of Γ -periodi2 on Γ- near-rings.

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