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Catalytic Hydrogenation of <i>p</i>-Chloronitrobenzene to <i>p</i>-Chloroaniline Mediated by γ-Mo<sub>2</sub>N

Promoting the production of industrially important aromatic chloroamines over transition-metal nitrides catalysts has emerged as a prominent theme in catalysis. This contribution provides an insight into the reduction mechanism of p-chloronitrobenzene (p-CNB) to p-chloroaniline (p-CAN) over the γ-Mo2N(111) surface by means of density functional theory calculations. The adsorption energies of various molecularly adsorbed modes of p-CNB were computed. Our findings display that, p-CNB prefers to be adsorbed over two distinct adsorption sites, namely, Mo-hollow face-centered cubic (fcc) and N-hollow hexagonal close-packed (hcp) sites with adsorption energies of −32.1 and −38.5 kcal/mol, respectively. We establish that the activation of nitro group proceeds through direct pathway along with formation of several reaction intermediates. Most of these intermediaries reside in a significant well-depth in reference to the entrance channel. Central to the constructed mechanism is H-transfer steps from fcc and hcp hollow sites to the NO/–NH groups through modest reaction barriers. Our computed rate constant for the conversion of p-CNB correlates very well with the experimental finding (0.018 versus 0.033 s–1 at ∼500 K). Plotted species profiles via a simplified kinetics model confirms the experimentally reported high selectivity toward the formation of p-CAN at relatively low temperatures. It is hoped that thermokinetics parameters and mechanistic pathways provided herein will afford a molecular level understanding for γ-Mo2N-mediated conversion of halogenated nitrobenzenes into their corresponding nitroanilines; a process that entails significant industrial applications.

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Publication Date
Wed May 10 2023
Journal Name
Journal Of Engineering
ADSORPTION STUDY OF HYDRODESULPHURIZATION CATALYST

Physical and chemical adsorption analyses were carried out by nitrogen gas using ASTM apparatus at 77 K
and hydrogen gas using volumetric apparatus at room temperature respectively. These analyses were used for
determination the effect of coke deposition and poisoning metal on surface area, pore size distribution and
metal surface area of fresh and spent hydrodesulphurization catalyst Co-Mo\Al2O3 .
Samples of catalyst (fresh and spent) used in this study are taken from AL-Dura refinery.
The results of physical adsorption shows that surface area of spent catalyst reduced to third compare with
fresh catalyst and these catalysts exhibit behavior of type four according to BET classification ,so, the pores
of these sample

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Publication Date
Wed Dec 26 2018
Journal Name
Iraqi Journal Of Science
Resultant Graphs of Block Designs

In this paper we have made different regular graphs by using block designs. In one of our applicable methods, first we have changed symmetric block designs into new block designs by using a method called a union method. Then we have made various regular graphs from each of them. For symmetric block designs with  (which is named finite projective geometry), this method leads to infinite class of regular graphs. With some examples we will show that these graphs can be strongly regular or semi-strongly regular. We have also propounded this conjecture that if two semi-symmetric block designs are non-isomorphic, then the resultant block graphs of them are non-isomorphic, too.

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Publication Date
Fri Mar 30 2001
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Nucleation Kinetics of Ammonium Perchlorate

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Publication Date
Thu Jun 01 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
A Space of Fuzzy Orderings

In this paper the chain length of a space of fuzzy orderings is defined, and various properties of this invariant are proved. The structure theorem for spaces of finite chain length is proved. Spaces of Fuzzy Orderings Throughout X = (X,A) denoted a space of fuzzy orderings. That is, A is a fuzzy subgroup of abelian group G of exponent 2. (see [1] (i.e. x 2 = 1,  x  G), and X is a (non empty) fuzzy subset of the character group  (A) = Hom(A,{1,–1}) satisfying: 1. X is a fuzzy closed subset of  (A). 2.  an element e  A such that (e) = – 1    X. 3. X :={a  A\ (a) = 1    X} = 1. 4. If f and g are forms over A and if x  D(

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Publication Date
Mon Apr 04 2022
Journal Name
Journal Of Educational And Psychological Researches
Self-Regulation of University Students

The current research aims to identify the self-regulation of university students, as well as to identify the significance of the difference in self-regulation according to the variable of sex (male-female), specialization (scientific-human), and grade (first-fourth). To achieve the research objectives, the two researchers developed a scale of (28) items about self-regulation According to the theory of (Pandora, 1991). The scale was administered to (500) students from the first and fourth stages of Al -Mustansiriyah University who were selected based on the random stratification method for the 2020/2021 academic year. The results showed that university students have a good level of self-regulation. There are no significant differences in

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Micropropagation of kiwi Actinidia chinensis

Shoot tip of Actinidia chinensis plant were excised and sterilized with mercuric chloride (Hgcl2) at concentration 0.1% for 5 min, then cultured on MS medium supplemented with benzeladinine BA at concentration (0.0,0.5,1.0,2.0,2.5) mg/l in multiplication stage Moreover, indole butyric acid IBA at concentration (0.0, 0.5,1.0,2.0,4.0) mg/l and (0.0,0.5,1.0,2.0) mg/l on solid and liquid solution media respectively in rooting stage were studied. All experiments have done under controlled conditions (25 ±2) Cº and 1000Lux light intensity for 16 hrs / day. Results revealed that supplementing the media with BA at concentrations 2.0 and2.5 mg/l was superior to give highest rate of shoot and number of leaves reached 5.8 /explant and 6.0 l

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Publication Date
Thu Dec 01 2011
Journal Name
Journal Of Engineering
SIMULATION OF FLIGHT THROUGH GUST

A flight simulation programme has been developed on a personal computer using Microsoft
FORTRAN to simulate flight trajectories of a light aircraft by using Six-Degree-of-Freedom
equation of motion. The simulation has been made realistic through pre-programmed the input to
the control surfaces, atmospheric gust during the flight mode. The programme plays an important
role in the evaluation and validation of the aircraft design process. A light aircraft (Cessna 182T)
has been tested through free flight, gliding flight, flight with gust. The results show good trend and
show that the programme could be dependent as a realistic flight test programme.

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Publication Date
Sat Oct 01 2016
Journal Name
Al–bahith Al–a'alami
Semiotics of Picture and News

It has become familiar to see alchemy as a methodological approach that combines conscious, diverse, psychological, social, structural, and discrete approaches in the communications technology that Marshall McLuhan found to be able to extend our bodies and senses, The media discourse has a deep and superficial structure produced by the first, with its social, cultural and historical backgrounds, in a context that connects the image with the word, as the "meanings are made" - everywhere, as described by Jonathan ) In fashion, in the arts as a whole, and from its "signs" Our analysis of «meaning», in the media, and communication through advertising, magazines, newspapers, television, and the Internet. Therefore, alchemy is preoccupied wi

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Publication Date
Sat Sep 30 2017
Journal Name
College Of Islamic Sciences
Authorization of women in divorce

The Shari'a of Islam is the end of the laws revealed by God, including the goodness of the servants in the pension and the restored. They are supported by the enemies of Islam, especially in these days when the Islamic Ummah is subjected to a fierce campaign by its enemy to repel it from its religion through what they claim from the rights of women, including the right to equality with men.
      Islam came to announce to all mankind that women are part of life in society without which they can not imagine life for them. Islam did not leave women under the absolute authority of men, but raised their status and worked to liberate them, and these rights are divorced from her husband, does she have the right

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Publication Date
Sun Jul 01 2001
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
CHECK LIST OF IRAQI BRYOFLORA

The pioneer contributions included a sign for Iraqi Bryoflora were those of (Juratzka &
Milde) and Schiffner published at the end of the 19th century i.e. (1870 & 1897) respectively.
However, throughout the whole next century, the 20th, only few papers, by different authors,
have been published separately. They are Schiffner (1913); Handel-Mazzetti (1914); Froelich
(1959); Vondracek (1962 & 1965); Agnew &Townsend (1970); Agnew ( 1973 ) ; Agnew&
Vondracek (1975); Long (1979); Al-Ni’ma (1994). The most comprehensive work among
them was the “Moss Flora of Iraq” by Agnew & Vondracek (1975). It included a description
of 54 genera and 145 species with an identification key in addition to notes

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