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Hydrogenation of pyridine and hydrogenolysis of piperidine over <i>γ-</i>Mo<sub>2</sub>N catalyst: a DFT study
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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.

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Publication Date
Tue May 01 2018
Journal Name
Journal Of Physics: Conference Series
Physical properties of CdS/CdTe/CIGS thin films for solar cell application
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Publication Date
Fri Sep 01 2023
Journal Name
Journal Of Engineering
Dual Stages of Speech Enhancement Algorithm Based on Super Gaussian Speech Models
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Various speech enhancement Algorithms (SEA) have been developed in the last few decades. Each algorithm has its advantages and disadvantages because the speech signal is affected by environmental situations. Distortion of speech results in the loss of important features that make this signal challenging to understand. SEA aims to improve the intelligibility and quality of speech that different types of noise have degraded. In most applications, quality improvement is highly desirable as it can reduce listener fatigue, especially when the listener is exposed to high noise levels for extended periods (e.g., manufacturing). SEA reduces or suppresses the background noise to some degree, sometimes called noise suppression alg

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Publication Date
Mon Feb 01 2021
Journal Name
Journal Of Engineering
The Effecting of Human Body on Slotted Monopole Antenna in Wearable Communications
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In this paper, the characteristics of microstrip monopole antennas are studied firstly in free space. Secondly, the effects of the human body on the studied antenna's performance are investigated for wearable communications. Different patch shapes of microstrip monopole antenna are chosen to operate at two bands: industrial scientific and medical band (ISM) and ultra-wideband (UWB) for wearable applications. The studied antenna consists of a radiating element on one side of the substrate and a partial ground plane on the other side. The antenna is supposed to fabricate on cloth fabric whose relative dielectric constant is Ɛr =1.7. At the same time, the pure copper could be used as the conducting part representing both t

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Publication Date
Wed Oct 01 2025
Journal Name
Water Environment Research
Combining Electro Fenton With Adsorption Processes for Treatment of Petroleum Refinery Wastewater
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ABSTRACT<p> This study investigates the elimination of chemical oxygen demand (COD) from an Iraqi petroleum refinery effluent through a combined electro‐Fenton and adsorption process (EF+AC). Response surface methodology (RSM) with a Box–Behnken design (BBD) was employed to investigate the effects of FeSO <sub>4</sub> concentration, current density, and electrolysis time on the reduction of COD using the EF technique. According to the results of the analysis of variance (ANOVA) for the EF technique, FeSO <sub>4</sub> concentrations, with a contribution of 40.06%, and cur</p> ... Show More
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Publication Date
Sat Aug 01 2020
Journal Name
Journal Of Engineering Science And Technology
Using sustainable material in improvement the geotechnical properties of soft clayey soil
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Publication Date
Sun Apr 28 2019
Journal Name
Civil Engineering Journal
Evaluation the Moisture Susceptibility of Asphalt Mixtures Containing Demolished Concrete Waste Materials
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The distress of moisture induced damage in flexible pavement received tremendous attention over the past decades. The harmful effects of this distress expand the deterioration of other known distresses such as rutting and fatigue cracking. This paper focused on the efficiency of using the waste material of demolished concrete to prepare asphalt mixtures that can withstand the effect of moisture in the pavement. For this purpose, different percentages of waste demolished concrete (0, 10, 20, 30, 50, 70 and 100) were embedded as a replacement for coarse aggregate to construct the base course. The optimum asphalt contents were determined depending on the Marshall method. Then after, two parameters were founded to evaluate the moisture

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Publication Date
Thu May 18 2017
Journal Name
Semiconductor Science And Technology
Improving the optoelectronic properties of titanium-doped indium tin oxide thin films
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Publication Date
Sun Jan 01 2023
Journal Name
Aip Conference Proceedings
Different estimation methods of reliability in stress-strength model under chen distribution
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Publication Date
Fri Jan 01 2016
Journal Name
Aip Conference Proceedings
Application of simulated annealing to solve multi-objectives for aggregate production planning
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Aggregate production planning (APP) is one of the most significant and complicated problems in production planning and aim to set overall production levels for each product category to meet fluctuating or uncertain demand in future. and to set decision concerning hiring, firing, overtime, subcontract, carrying inventory level. In this paper, we present a simulated annealing (SA) for multi-objective linear programming to solve APP. SA is considered to be a good tool for imprecise optimization problems. The proposed model minimizes total production and workforce costs. In this study, the proposed SA is compared with particle swarm optimization (PSO). The results show that the proposed SA is effective in reducing total production costs and req

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Publication Date
Mon Jan 01 2024
Journal Name
Journal Of The College Of Languages (jcl)
Pushkin quotes in the works of Chekhov: Пушкинские цетаты в произведениях чехова
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Pushkin's quotations in Chekhov's works are one of the means of expressing connections between texts, performing the most important constructive role: behind them Chekhov reveals a deep development of the plot-thematic structure, ideas and, more broadly, Pushkin's artistic philosophy.

The scientific relevance of our work is the analysis of the similarities between the literary texts of Pushkin and Chekhov, and touches on quotations in Chekhov's works.

Аннотация

Работа посвящена проблеме функционирования пушкинской традиции в прозе А.П. Чехова . Творчество Чехова занимает уникальное

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