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.
Clarity and Visual Ratios of the Vibrant Place Making
Chemical pesticides have an impact on other living organisms in addition to their intended target organisms. Any chemical pesticide is therefore made safe for use by examining its biological characteristics and side effects. The present study was aimed at determining the resistance efficiency of six bacterial isolates obtained from malathion-contaminated soils. Bacteria were isolated from soil samples collected in Adhamiya, Baghdad, Iraq. Biochemical tests and VITEK 2 compact equipment were used to identify the bacterial isolates. Primary and secondary screening tests were conducted on the bacterial isolates for resistance against malathion pesticides. The optimal bacterial growth conditions were determined in malathion-contaminated media.
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In the nineteenth century, a new type of cities appeared, known as new cities located on the edges of major cities, and these cities began to decentralization, urban studies turned to this type of cities to find out the most important reasons for the emergence of new cities and find out what those cities will become . Therefore, we will discuss in this research how the urban emergence of these cities (edge cities) occurs, so the research formulates its problem : The need to know the stages that edge cities go through, ending with their emergence, and the mechanisms that cities take within their context ( regeneration or adaptation ), Assuming that edge cities are a
... Show MoreIn this paper, A.C conductivity of micro and nano grain size- TiO2 filled epoxy composites is measured. The dielectric material used is epoxy resin, while micro and nano-sized titanium dioxide (TiO2) of grain size (1.5μm, and 50nm) was used as filler at low filler concentrations by weight (3%, and 5%). Additionally the effect of annealing temperature range (293-373)º K and at a frequency range of 102-106 Hz on the A.C conductivity of the various specimens was studied.
The result of real permittivity for micro and nanocomposite show that the real permittivity increases with decreasing frequency at range of 102-106Hz. The micron-filled material has a higher real relative permittivity than the nano-filled this is true at all the temper
Solar module operating temperature is the second major factor affects the performance of solar photovoltaic panels after the amount of solar radiation. This paper presents a performance comparison of mono-crystalline Silicon (mc-Si), poly-crystalline Silicon (pc-Si), amorphous Silicon (a-Si) and Cupper Indium Gallium di-selenide (CIGS) photovoltaic technologies under Climate Conditions of Baghdad city. Temperature influence on the solar modules electric output parameters was investigated experimentally and their temperature coefficients was calculated. These temperature coefficients are important for all systems design and sizing. The experimental results revealed that the pc-Si module showed a decrease in open circuit v
... Show MoreAn electrochemical sensor based on manganese dioxide nanorodMnO2and Graphene oxide (GO) functionalized with 4-amino, 3-substituted 1H, 1, 2, 4 Triazole 5(4H) thion (FGO)/MnO2Nanocompositewas developed for voltammetric determination of Tetracycline (TET).The working electrode WE of SPCE was modified bya drop casting method. X-ray powder diffractometer (XRD), scanning electron microscopy (SEM) and FT-IR were employed to characterize the synthesized FGO/MnO2. The determination of TET at the modified electrode was studied by cyclic voltammetry (CV) and differential pulse voltammetry (DPV) in the phosphate buffer solution (PBS).TET show sharp increase in the oxidation peaks in the pH 2.Voltammetric characteristics of TET (Epa, Ipa) were estimate
... Show MoreObjective: This study aims to analyze the role of the People's Republic of China in the 1955 Bandung Conference and assess its contributions to international cooperation and peace. It specifically examines how China's participation aligns with the United Nations Sustainable Development Goals (SDGs), particularly Goal 16. Theoretical Framework: The research is grounded in a structuralist approach to international relations, focusing on the agency of developing nations in shaping a post-colonial global order. It considers concepts such as peaceful coexistence, national sovereignty, and South-South cooperation. Method: A historical-analytical method is employed, tracing China’s diplomatic trajectory from the 1954 Colombo and Bo
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This study was focused on biotreatment of soil which polluted by petroleum compounds (Diesel) which caused serious environmental problems. One of the most effective and promising ways to treat diesel-contaminated soil is bioremediation. It is a choice that offers the potential to destroy harmful pollutants using biological activity. The capability of mixed bacterial culture was examined to remediate the diesel-contaminated soil in bio piling system. For fast ex-situ treatment of diesel-contaminated soils, the bio pile system was selected. Two pilot scale bio piles (25 kg soil each) were constructed containing soils contaminated with approximately 2140 mg/kg total petroleum hydrocarbons (TPHs). The amended soil: (contaminated soil with the a
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