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.
Abstract :
In view of the fact that high blood pressure is one of the serious human diseases that a person can get without having to feel them, which is caused by many reasons therefore it became necessary to do research in this subject and to express these many factors by specific causes through studying it using (factor analysis).
So the researcher got to the five factors that explains only 71% of the total variation in this phenomenon is the subject of the research, where ((overweight)) and ((alcohol in abundance)) and ((smoking)) and ((lack of exercise)) are the reasons that influential the most in the incidence of this disease.
The art of batik is one of the ancient arts that has a long history in East Asian countries, especially in Indonesia, where it was considered a traditional craft with which many Indonesian tribes lived. This art began to move to other continents and develops and progresses due to the artist’s connection to the surrounding technological and intellectual development, as art became more outgoing and liberated, it helped the artist to create and innovate in his designs. In this research, he focuses on modern performance methods through which print paintings can be produced through design elements, especially calligraphy, to create aesthetic and creative effects in the productive work. The current research aims to identify the various perfo
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Abstract
The aim of this research is to formulate a proposed strategy for developing graduate studies at King Khalid University to support the achievement of the Kingdom's vision (2030). The research used the descriptive survey approach. The research community consisted of all graduate students at King Khalid University. The research was conducted on a random sample included (623) Male and female students, this research relied on the questionnaire as the main tool for collecting its data. The results revealed that the research sample believes that all the proposals included in this research are very important for the development of postgraduate studies at King Khalid University to support the achievement of the K
... Show MoreAn approach is depended in the recent years to distinguish any author or writer from other by analyzing his writings or essays. This is done by analyzing the syllables of writings of an author. The syllable is composed of two letters; therefore the words of the writing are fragmented to syllables and extract the most frequency syllables to become trait of that author. The research work depend on analyzed the frequency syllables in two cases, the first, when there is a space between the words, the second, when these spaces are ignored. The results is obtained from a program which scan the syllables in the text file, the performance is best in the first case since the sequence of the selected syllables is higher than the same syllables in
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In this paper we deal with the problem of ciphering and useful from group isomorphism for construct public key cipher system, Where construction 1-EL- Gamal Algorithm. 2- key- exchange Algorithm
Our critical history is marked by the presence of eminent poets who have tried to read, as for their texts, such as Al-Mutanabbi, Ibn Abd Rabu and Ibn Arabi. As for the texts of others, such as Al-Farazdaq, Jarir, and Omar bin Abi Rabi'a, and what is distinctive in their readings was that they were texts corresponding to the reading text, then the reading of Jarir Naqdah and Omar bin Abi Rabi`a was an opposition and Ibn Abd Rabu was scrutinized and Ibn Arabi was an interpretation and al-Mutanabi an explanation, and I found that these in their readings constitute a specificity that must be revealed The way of this research (constructive critical reading by the Arab poet - a critical study -) their poor are critical because criticism is pr
... Show MoreIn this work copper nanopowder was created at different liquid
medias like DDDW, ethylene glycol and Polyvinylpyrrolidone
(PVP). Copper nanopowder prepared using explosion wire process
and investigated the effects of the exploding energy, wire diameter,
the type of liquid on the particle size, and the particles size
distribution. The nanoparticles are characterized by x-ray diffraction,
UV-visible absorption spectroscopy and transmission electron
microscopy (TEM). The x-ray diffraction results reveal that the
nanoparticles continue to routine lattice periodicity at reduced
particle size. The UV-Visible absorption spectrum of liquid solution
for copper nanoparticles shows sharp and single surface Plasmon
r
(2)
This work addressed the assignment problem (AP) based on fuzzy costs, where the objective, in this study, is to minimize the cost. A triangular, or trapezoidal, fuzzy numbers were assigned for each fuzzy cost. In addition, the assignment models were applied on linguistic variables which were initially converted to quantitative fuzzy data by using the Yager’sorankingi method. The paper results have showed that the quantitative date have a considerable effect when considered in fuzzy-mathematic models.
(5)
(2)
تهدف هذه الدراسة إلى بحث ظاهرة الاغتراب في رواية " ديك الفداء " لايلي عامير ، لأن هذه الظاهرة تبدو أكثر وضوحا في هذه الرواية ، وتمثل تیارا مسيطرة على معطياتها واتجاهاتها الفكرية والفنية، خاصة أن الكاتب استطاع أن يجسد هذه الظاهرة المحورية تجسيدا فنيا متميزا ، وكشف عن طبيعة العلاقة بين عالم الواقع وعالم الحلم لدى الشخصيات، وعما تتسم به من تناقض و تعارض وتصادم و شعور بالإحباط والضياع والاغتراب. وقد اشتملت ال
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