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Hydrogenation of pyridine and hydrogenolysis of piperidine over $γ$-Mo2N 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.

Publication Date
Wed Jan 01 2020
Journal Name
International Journal Of Computing
Twitter Location-Based Data: Evaluating the Methods of Data Collection Provided by Twitter Api
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Twitter data analysis is an emerging field of research that utilizes data collected from Twitter to address many issues such as disaster response, sentiment analysis, and demographic studies. The success of data analysis relies on collecting accurate and representative data of the studied group or phenomena to get the best results. Various twitter analysis applications rely on collecting the locations of the users sending the tweets, but this information is not always available. There are several attempts at estimating location based aspects of a tweet. However, there is a lack of attempts on investigating the data collection methods that are focused on location. In this paper, we investigate the two methods for obtaining location-based dat

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Publication Date
Mon Jun 19 2023
Journal Name
Journal Of Engineering
Heave Behavior of Granular Pile Anchor-Foundation System (GPA-Foundation System) in Expansive Soil
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Granular  Pile  Anchor  (GPA)  is  one  of  the  innovative  foundation  techniques,  devised  for mitigating heave of footing resulting from the expansive soils. This research attempts to study the heave behavior of (GPA-Foundation System) in expansive soil. Laboratory tests have been conducted on an experimental model in addition to a series of numerical modeling and analysis using the finite element package PLAXIS software. The effects of different parameters, such as (GPA) length (L) and diameter (D), footing diameter (B), expansive clay layer thickness (H) and presence of non-expansive clay are studied. The results proved the efficiency of (GPA) in reducing the heave of exp

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Publication Date
Sun Dec 02 2012
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Estimation of the Rock Mechanical Properties Using Conventional Log Data in North Rumaila Field
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Hydrocarbon production might cause changes in dynamic reservoir properties. Thus the consideration of the mechanical stability of a formation under different conditions of drilling or production is a very important issue, and basic mechanical properties of the formation should be determined. There is considerable evidence, gathered from laboratory measurements in the field of Rock Mechanics, showing a good correlation between intrinsic rock strength and the dynamic elastic constant determined from sonic-velocity and density measurements. The values of the mechanical properties determined from log data, such as the dynamic elastic constants derived from the measurement of the elastic wave velocities in the material, should be more accurate t

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Publication Date
Sun Mar 17 2019
Journal Name
Biochemical & Cellular Archives
EVALUATION OF THE POTASSIUM AVAILABILITY IN THE SALINE SOILS USING THE TRADITIONAL CHEMICAL CRITERION
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Publication Date
Thu Dec 31 2015
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Simulation the Radiation Zone of Al-Mussaib Power Plant by Using Monte Carlo Method
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The temperature distributions are to be evaluated for the furnace of Al-Mussaib power plant. Monte Carlo simulation procedure is used to evaluate the radiation heat transfer inside the furnace, where the radiative transfer is the most important process occurring there. Weighted sum of gray-gases model is used to evaluate the radiative properties of the non gray gas in the enclosure. The energy balance equations are applied for each gas, and surface zones, and by solving these equations, both the temperature, and the heat flux are found.

   Good degree of accuracy has been obtained, when comparing the results obtained by the simulation with the data of the designing company, and the data obtained by the zonal method. In

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Publication Date
Sun Sep 04 2011
Journal Name
Baghdad Science Journal
Approximate Solution of Delay Differential Equations Using the Collocation Method Based on Bernstien Polynomials???? ???????? ????????? ????????? ????????? ???????? ?????????? ???????? ??? ??????? ???? ?????????
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In this paper a modified approach have been used to find the approximate solution of ordinary delay differential equations with constant delay using the collocation method based on Bernstien polynomials.

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Publication Date
Wed Jul 01 2015
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
PARASITIC HELMINTHS OF THE STARLING STURNUS VULGARIS LINNAEUS, 1758 IN BAGHDAD CITY, CENTRAL IRAQ
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    Twenty-two of the Starling Sturnus vulgaris Linnaeus, 1758 were collected in Baghdad city during the period from January to September, 2014, and examined for endoparasites. Ten (45.45%) were found infected with either the cestode Passerilepis crenata (Goeze, 1782) (31.81%) or the nematode Dispharynx nasuta (Rudolphi, 1819) (13.63 %). Morphometric and meristic features for these worms were expressed. D. nasuta is recorded here for the first time from S. vulgaris for Iraq.

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Publication Date
Wed Dec 16 2020
Journal Name
Electronics
Downlink Training Design for FDD Massive MIMO Systems in the Presence of Colored Noise
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Massive multiple-input multiple-output (MaMi) systems have attracted much research attention during the last few years. This is because MaMi systems are able to achieve a remarkable improvement in data rate and thus meet the immensely ongoing traffic demands required by the future wireless networks. To date, the downlink training sequence (DTS) for the frequency division duplex (FDD) MaMi communications systems have been designed based on the idealistic assumption of white noise environments. However, it is essential and more practical to consider the colored noise environments when designing an efficient DTS for channel estimation. To this end, this paper proposes a new DTS design by exploring the joint use of spatial channel and n

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Publication Date
Tue Feb 12 2019
Journal Name
Iraqi Journal Of Laser
Propanol Vapor Sensor Utilizing Air-Gap as Sensing Part of the Mach-Zehnder Interferometer
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The purpose of this study is to demonstrate a simple high sensitivity vapor sensor for propanol ((CH3)2CHOH). A free space gap was employed in two arms of a Mach-Zehnder interferometer to serve as the sensing mechanism by adding propanol volume (0.2, 0.4, 0.6, 0.8, and 1) ml and to set the phase reference with a physical spacing of (0.5, 1, 1.5, and 2) mm. The propagation constant of transmitted light in the Mach-Zehnder interferometer’s gap changes due to the small variation in the refractive index inside sensing arm that will further shift the optical phase of the signal. Experimental results indicated that the highest sensitivity of propanol was about 0.0275 nm/ml in different liquid volume while highest phase shift was 0.182×103 i

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Publication Date
Tue Jun 30 2020
Journal Name
Pakistan Journal Of Phytopathology
PROTECTIVE EFFECT OF OLIVE POLYPHENOLS ON WATERMELON AGAINST FUSARIUM OXYSPORUM F. SP. NIVEUM INFECTION
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