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.
Study of group action of stone columns using FEM
The humid and warm conditions in greenhouses provide an excellent environment for pests’ living conditions, and therefore, they provide ideal medium for alien introductions. Molluscs are among the most significant pests that infest plastic covered greenhouses. To identify and report their mollusc species, 23 greenhouses in Iraq were surveyed between March 2023 and April 2024. Of these, 11 were found to be infested with snails. A total of 158 specimens were collected and morphologically identified to seven species: Monacha obstructa (L. Pfeiffer, 1842), Eobania vermiculata (O.F. Müller, 1774), Xeropicta krynickii (Krynicki, 1833), Rumina decollata (Linnaeus, 1758), Polygyra cereolus (Megerle Von Mühlfeld, 1818), Cochlicella barba
... Show More
(1)
Insurance Companies perform a prominent role in providing services and bolstering national economy, and they contribute in achieving the aims of the economic development plans in addition to many other social and economic benefits. So it is necessary to evaluate the activity of these companies continuously to define performance level and its nature. Financial analysis is one of the important instruments that helps in analyzing and explanation of data in such a way that enable administration to define performance level and diagnosing strength and weakness points. This study tackles the state of affairs of the Iraqi Insurance Company which is considered as one of the active national institutions, due to its distinguished role in collecting
... Show MoreDesigned Mirrors double and triple package adoption concept heap where they were changing the thickness of the layers within periodic basis of the pile and different ratios (p: q) in addition to change the refractive index of materials within periodic basis and its impact on sites Dhour tops high reflectivity study included spectral region visible and infrared, depending on NdharahFeatured matrix adjusted fall of light close to the vertical arrangement multilayer dielectric materials and thin films homogeneous and uniform
Abstract his study involved evaluation of side effects of two weight reduction pills that had been widely distributed in the last period. Two weight reduction compounds are studied, Reductil (containing chemical substances) and Chinese’s weight reduction herbs (containing natural substances). Two doses for each compound are used in this research; 5mg/ml and 0.5mg/ml for Reductil, while 30mg/ml and 10mg/ml for Chinese weight reduction herbs. To evaluate the toxic effects of these compounds, the following parameters were determined which include mitotic index (cytogenetic analysis), serum FSH and LH hormones level (follicles stimulation hormone/FSH and lutenising hormone/LH) and histological examination of female mice ovaries. Control group
... Show MoreThe present work describes the development of code for trim and longitudinal stability analysis of a helicopter in forward flight. In general, particular use of these codes can be made for parametric investigation of the effects of the external and internal systems integrated to UH-60 helicopters. A forward flight longitudinal dynamic stability code is also developed in the work to solve the longitudinal part of the whole coupled matrix of equations of motion of a helicopter in forward flight. The coupling is eliminated by linearization. The trim analysis results are used as inputs to the dynamic stability code. The forward flight stability code is applied to UH-60 helicopter.
Objective: To determine the prevalence of bullying among primary schools’ children with some associated factors, and resultant effects. Methodology: This cross-sectional study with analytic elements was carried out from February through April 2022. It included a sample of 410 students from six governmental primary schools from both sides of Baghdad city. A self-constructed questionnaire was used. It comprised the following parts: Part (1): socio-demographic data, Part (2): questions that review the students’ exposure to bullying, and Part (3) entails the effects of bullying on those children. Results: The total sample was composed of 410 students; their mean age was 9.51±1.94 years. The prevalence of bullying was 56.34%. Studen
... Show More
(1)
In this research, we introduce and study the concept of fibrewise bitopological spaces. We generalize some fundamental results from fibrewise topology into fibrewise bitopological space. We also introduce the concepts of fibrewise closed bitopological spaces,(resp., open, locally sliceable and locally sectionable). We state and prove several propositions concerning with these concepts. On the other hand, we extend separation axioms of ordinary bitopology into fibrewise setting. The separation axioms we extend are called fibrewise pairwise T_0 spaces, fibrewise pairwise T_1 spaces, fibrewise pairwise R_0 spaces, fibrewise pairwise Hausdorff spaces, fibrewise pairwise functionally Hausdorff spaces, fibrewise pairwise regular spaces, fibrewise
... Show More
(1)