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.
The photoconductivity and its dependence on light intensity have been investigated in a-Ge20Se80 thin films as a function of temperature between (293–323)K. The result showed that the photoconductivity and photosensitivity increase with increase of annealing temperature. This behavior is interpreted in terms of the dispersive diffusion –controlled recombination of localized electrons and holes.
Luffa aegyptiaca is a plant of multi-purpose importance whose usefulness cuts across virtually all areas of life. This study has characterized L. aegyptiaca in Lagos state and determined the mineral, proximate, phytochemical as well as the heavy metal accumulation potential. Samples were collected from the 20 Local Government Areas (LGAs) in Lagos state at 2 samples per location. Genetic similarity and intra-specific variation in 40 samples of L. aegyptiaca were determined using 3 Random Amplified Polymorphic DNA (RAPD) primers which yielded a total of 42 markers of which 25 was polymorphic. The maximum number of bands (14) was produced by OPC4 while the minimum (7) were produced by OPAF20. Percenta
... Show MoreIn this paper a dynamic behavior and control of a jacketed continuous stirred tank reactor (CSTR) is developed using different control strategies, conventional feedback control (PI and PID), and neural network (NARMA-L2, and NN Predictive) control. The dynamic model for CSTR process is described by a first order lag system with dead time.
The optimum tuning of control parameters are found by two different methods; Frequency Analysis Curve method (Bode diagram) and Process Reaction Curve using the mean of Square Error (MSE) method. It is found that the Process Reaction Curve method is better than the Frequency Analysis Curve method and PID feedback controller is better than PI feedback controller.
The results s
... Show MorePolycaprolactone polymer is widely used in medical applications due to its biocompatibility. Electro spinning was used to create poly (ε- caprolactone) (PCL) nanocomposite fiber mats containing hydroxyapatite (HA) at concentrations ranging from 0.05 to 0.4% wt. The chemical properties of the fabricated bio composite fibers were evaluated using FTIR and morphologically using field-emission scanning-electron microscopy (FESEM), Porosity, contact angle, as well as mechanical testing(Young Modulus and Tensile strength) of the nanofibers were also studied. The FTIR results showed that all the bonds appeared for the pure PCL fiber and the PCL/HA nano fibers. The FESEM nano fiber showed that the fiber diameter increased from 54.13 to 155.79 (n
... Show MoreBackground: Spontaneous abortion means that a pregnancy is lost prior to viability, the loss of a fetus weighing less than 500 g, and the loss of an embryo or fetus at 20 weeks gestation or less (WHO, 2001). Glenville, (2001) has reported that suffering a miscarriage is one of the most devastating things that can happen to a woman, and to her husband. Many women conceive easily and are not emotionally or physically prepared for the shock of losing a baby. Objective: To know effects of spontaneous abortion upon physical status and spiritual beliefs , also find out the association between physical status and spiritual beliefs with study variable (demographic & reproductive). Methodology: A descriptive Analytical study was conducted on Non
... Show MoreThis research is an initial attempt to explore the reality of education and its concept in Islam, and to describe the presence of educational practices in the Arab-Islamic heritage. The importance of this research lies in addressing a set of important issues related to the contemporary Islamic educational system. The research revealed the extent of the need for authentic educational values that draw their reference from the origins of Islam, and it emphasized the analysis of the reality of education in the Islamic world and the identification of its problems and the finding of solutions through a quick and comprehensive look at the diverse contributions of Muslimthinkers to Islamic educational thought, and their active ro
... Show MoreBackground: Bilastine (BLA) is a second-generation H1 antihistamine used to treat allergic rhinoconjunctivitis. Because of its limited solubility, it falls under class II of the Biopharmaceutics Classification System (BSC). The solid dispersion (SD) approach significantly improves the solubility and dissolution rate of insoluble medicines. Objective: To improve BLA solubility and dissolution rate by formulating a solid dispersion in the form of effervescent granules. Methods: To create BLA SDs, polyvinylpyrrolidone (PVP K30) and poloxamer 188 (PLX188) were mixed in various ratios (1:5, 1:10, and 1:15) using the kneading technique. All formulations were evaluated based on percent yield, drug content, and saturation solubility. The fo
... Show MoreHeat shock protein 70 (HSP70) is a crucial protein with vital biological tasks in cell continuation of life. The variation of HSP70 activation occurs as a consequence of stress that includes temperature states, toxicity, poisoning with heavy metals, and tumor-related conditions. One of the master jobs of the HSP family is the suppression of caspase-mediated apoptosis signals. A high level of the expression of HSP70 is accountable for tumorigenesis and resistance against chemotherapeutic drugs. For this reason, the detection of HSP70 may help to diagnose cancerous diseases. From the other side, targeting this chaperone might help in treatment by maintaining late caspase-dependent events. This study was conducted to detect the presenc
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