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.
Thep resent study was conducted for monitoring of the evaporative cooling tower in methanol production plant using digital computer' visuql Basic computer program was used for the monitoring of the performance of the cooling tower. The structure program consists of sub programs and forms to show all the related variabltes such as temperature, flow rate, pressure ...etc, that affect the cooling tower operation and give alarms and important function informition regarding these variables.
In this paper it is required to enhance the performance of a mechanical system (here: a Hoisting System) where it is preferred to lift a different payloads with approximately the same speed of lifting and keeping at the same time the good performance, and this of course needs some intelligence of the system which will be responsible on measuring the present load and taking into account the speed and performance desired in order to achieve the requirements or the criteria. The process therefore is a Mechatronics System design which includes a measuring system, a control or automation technique, and an actuating system. The criteria built here in this research using a given Hoist system's characteristics and parameters and changing one of
... Show MoreThe State shall comply with the requirements of its members and their general, it cannot be without the state spending Multiple expenses and images formats Affect the interests of society, but it should not ignore the administration
This spending must be surrounded by all legitimate formulas and methods, approved by the legislature, according to the regulations and specific instructions, counting the expenditure is illegal and contrary to laws and regulations the executive branch has assumed responsibility and liability has legal consequences.
In addition, spending must be properly, and corresponds to the economic situation of the country, achieve maximum benefit to all members of society, and not waste public funds in ad
... Show MoreA rapid high sensitive and inexpensive economic method has been developed for the Determination of phenoxazine by using molecular spectrophotometry. The method is based on the oxidation of phenoxazine by potassium (meta)periodate in acidic medium. The oxidation conditions were selected to enhance the sensitivity and the stability of the pink colored species which shows an absorption maximum at 530 nm. The Beer’s law was obeyed for phenoxazine concentration range from 1 to 6 µg mL-1 with 0.003 µg mL-1 detection limit and provided variation coefficients between 0.4 to 1.7 %. This method was successfully applied for the determination of phenoxazine in aqueous samples
Abstract
The current research aims to identify the communicative competence of university students, to identify the levels of communicative competence among university students and which of these levels are more common, and to identify the significance of differences in communicative competence among university students according to the variables of gender and specialization. The study population consisted of (782) male and female students, as the statistical analysis sample was limited to (400) male and female students to extract the psychometric properties of the current research tool. The study sample included (382) male and female students at the University of Baghdad who were chosen by the stratified random
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Toady technology Nano since it launched human Alivia third interest and anticipation unusual and that by the decision-makers in the world's governments and its institutions and research departments productivity, especially after the US Congress enact a law (the National Initiative for Tknlojba nanotechnology in the United States of America) and the allocation of large sums of money To support this initiative, the research aims to shed light on the concept of technology nanotechnology, which is technology atheist and the twentieth century, and reflect its economic importance and in order to reach the objectives of the research has been the division of research into several axes has been allocated
... Show MoreThe management of funds for banks whose bankruptcy is declared and maintained is necessary, as it is a measure that aims primarily to preserve those funds for fear of being smuggled or destroyed, and that constitutes a guarantee of the rights of bank creditors. In his choice to do that task and this person is called in the Iraqi banking law (the judicial guard), which this research was devoted to touch on what is guarding and who is the judicial guard in relation to Iraqi law and other comparative laws and is represented (Lebanese law and Omani law) where the first topic was devoted to a concept to guard Judicial and the appointment mechanism As for the second topic, it has been devoted to talking about the tasks undertaken by the judici
... Show MoreBackground:The document on hypertension in the elderly promoted by the American college of cardiology and the American heart association (ACCF/AHA) was written with the intent to be a complete reference at the time of publication on the topic of managing hypertension in the elderly. More recently, the European society of hypertension (ESH) and the European society of cardiology (ESC) issued the 2013 ESH/ESC Guidelines for the management of arterial hypertension, followed by The 2014 Canadian Hypertension Education Program (CHPE), and the Eighth Report of the Joint National Committee (JNC8), all of which has endorsed specific recommendations for the management of elderly hypertensive patients.
The diverse urban spaces of the streets is an important part of the city's physicist configuration and a link between architectural and civilizational communication through time starting from the historic towns down to the contemporary cities, within the proposals of the future cities. From general observations and literature review a research problem is crystallized as some directions not arbitrary rational when expansion and the growth of cities, and other measures wrong or the existence of some incorrect actions and processes related to the cities planning as a categorizing the goals and priorities in city plan.The streets were constitute a high proportion of the total area of cities, where up to over 30% in major cities. These
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