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.
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
... Show MoreDuring 2019-2020, the experiment was conducted in the laboratory of the Department of Field Crop Sciences, Faculty of Agricultural Engineering Sciences - Baghdad University, to investigate the impact of soaking wheat seeds produced during the 2016 agricultural season with three plant extracts (licorice root extract 2%, 4% and 6%, Acadian and Humic(500, 1000, & 1500 mg L-1). Aside from the two control treatments (soaking in distilled water with dried seeds). The results show that the soaking treatment with licorice root extract outperformed the other therapies in conventional laboratory germination, root length, and seedling vigor index (95 percent and 3.42 cm 1207) compared to the two control treatments (soaking with distilled w
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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.
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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 MoreElectrospinning is a novel technique that can be used to produce highly porous fibers with highly tunable properties. In this research, this technique is adopted to prepare the electrospun nanofiber membrane for membrane distillation application. A custom-built electrospinning setup was made to prepare the nanofibers membrane. Polyvinylidene fluoride (PVDF) polymer was used in the electrospinning process due to its high hydrophobicity. Electrospun (PVDF) nanofibers were tested in direct contact membrane distillation (DCMD) process using 0.6 M sodium chloride as a feed solution. The resulting nanofiber membrane exhibited high performance in DCMD (i.e. relatively high water flux and high salt rejection). It has been found
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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
This research intends to reveal a vital and vital aspect of the linguistic, multifaceted aspect of linguistic concern of Dr. Ahmed Maatoub, may God have mercy on him. In spite of the large number of what has been written about the deceased in various activity trends Rhetorical, literary and monetary and linguistic, and despite the excellence lesson terminological has a diversity and abundance, did not find the summarized research in absorbs the ions Tnzirath him and its applications in various branches of science or Oferdh a comprehensive study explores Fraidha. I resolved to undertake this task; In the service of knowledge first, and the elimination of a debt owed to the deceased in our necks, we must broadcast his knowledge and show hi
... Show Morein this work many amide polymers were prepared according to the modification reaction of polyacryloyl chloride or poluacrulic acid with different primary amines to mesuringninizing hormone were investgaited prior tq surgery in 10 postmenopaisal women with benign and 10 postmenopausal women with maliganant healthy
MM Al-Waiz, AA Al-Nuaimy, HA Aljobori, MJ Abdulameer, Annals of Saudi Medicine, 2006 - Cited by 1
In 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
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