Increasing demands on producing environmentally friendly products are becoming a driving force for designing highly active catalysts. Thus, surfaces that efficiently catalyse the nitrogen reduction reactions are greatly sought in moderating air-pollutant emissions. This contribution aims to computationally investigate the hydrodenitrogenation (HDN) networks of pyridine over the γ-Mo2N(111) surface using a density functional theory (DFT) approach. Various adsorption configurations have been considered for the molecularly adsorbed pyridine. Findings indicate that pyridine can be adsorbed via side-on and end-on modes in six geometries in which one adsorption site is revealed to have the lowest adsorption energy (–45.3 kcal/mol). Over a nitrogen hollow site adsorption site, initial HDN steps proceed by the stepwise hydrogenation of pyridine into piperidine followed by the Langmuir–Hinshelwood mechanism. The obtained findings are the first to theoretically model the hydrogenation pathways of pyridine to form piperidine and then the hydrogenolysis of piperidine producing C5H12 and NH3 over metal nitride. These paved the way for further investigations to better understanding such an important nitrogen removal reactions.
Background: The presence of cancer has a profound psychological impact on the quality of life of patients and their families, on family and social relationships, and on role functioning.
Aim of the study: Assess the impact of childhood cancer on patients and their families.
Subjects and methods: A Prospective questionnaire-based study, for 151 patients, had malignancy identified by tumor registry of Children Welfare Teaching Hospital. The information was taken from the parent(s) in the presence of the patient who sometimes answered some questions during the interview.
Result: There was an interview with 151 families of children with cancer in t
... Show MoreThe theatrical performance has an aesthetic, artistic, technical and intellectual vision presented by the theatrical director according to the dualities of theatrical form and content, which depend on the uniformity and interconnection of theatrical elements, as the vision is integrated through the harmony and fusion of these elements and the flow of their coordination with an aesthetic system within the framework of the aesthetic space of the theatrical performance, and when the heritage is presented in the performance, as there will certainly be different readings of that heritage and moving away from the iconization of the event and highlighting it in a manner that is in line with the spirit of the age.
the (researcher) tries, t
Objective: The present study aims at identifying the dimensions behind juvenile delinquency, and to identify their
socio-demographic characteristics of gender, age, and type of delinquency.
Methodology: A descriptive study was conducted in correctional schools in Baghdad City to identify the
behavioral, psychological, and social dimensions contributed to juvenile delinquency. The study sample consisted
of (50) juvenile delinquents, of them, 27 males, and 23 females whose ages range from (12 - 20) years. Those
delinquents live in males’ correctional school in Al-Shalichia, and females’ correctional school in Al-Karradah, in
Baghdad City. The study sample was selected in purposively. The study questionnaire was design
The present research focuses on the study of the effect of mass transfer resistance on the rate of heat transfer in pool boiling. The nucleate pool boiling heat transfer coefficients for binary mixtures (ethanol-n-butanol, acetone-n-butanol, acetone-ethanol, hexane-benzene, hexane-heptane, and methanol-water) were measured at different concentrations of the more volatile components. The systems chosen covered a wide range of mixture behaviors.
The experimental set up for the present investigation includes electric heating element submerged in the test liquid mounted vertically. Thermocouple and a digital indictor measured the temperature of the heater surface. The actual heat transfer rate being obtained by multiplying the voltme
... Show MoreSimplifying formulas that are used for calculations and design are the aim of researchers. For present work, the approach to distinguish the flow under sluice gate was conducted in a laboratory. The extensive experimental program was done to collect fifty-four data points for both free and submerged flow conditions. The data included different discharges, gate openings, flow depths at upstream as well as the flow depths represent a tail water and at a contracted section for downstream. The collected data are analyzed according to a problematic that may encounter in the field, to present a more straightforward (but with acceptable accurate) practical features equations and charts. Based on the proposed formulas, five meth
... Show MoreEntropy generation was studied for new type of heat exchanger (shell and double concentric tubes heat exchanger). Parameters of hot oil flow rate, temperature of inlet hot oil and pressure drop were investigated with the concept of entropy generation. The results showed that the value of entropy generation increased with increasing the flow rate of hot oil and when cold water flow rate was doubled from 20 to 40 l/min, these values were larger. On the other hand, entropy generation increased with increasing the hot oil inlet temperature at a certain flow rate of hot oil. Furthermore, at a certain hot oil inlet temperature, the entropy generation increased with the pressure drop at different hot oil inlet flow rates. Final
... Show MoreIn the present work, 9-fluorenone-2-carboxylic acid methyl ester (1) was prepared from 9-fluorenone-2-carboxylic acid and then converted into the acid hydrazide (2). Compound (2), is the key intermediate for the synthesis of several series of new compounds such as substituted 1,3,4-oxadiazole derivatives (3-6) were synthesized from the condensation of different substituted benzoic acids with compound (2) using POCl3 as condensing agent. Treatment of compound (2) with formic acid gave the N-formyl hydrazide (7), which upon refluxing with phosphorous pentoxide in benzene yielded the corresponding 5-(9-fluorenone-2-yl)-1,3,4-oxadiazole (8). Reaction of hydrazide (2) with phenyl isocyanate to give N-phenyl semicarbazide derivative (9), then thi
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