Catalytic removal of the S-content from thiophene is a central step in efforts aiming to reduce the environmental burdens of transportation fuels. In this contribution, we investigate the hydrodesulfurization (HDS) mechanisms of thiophene (C4H4S) over γ-Mo2N catalyst by means of density functional theory (DFT) calculations. The thiophene molecule preferentially adsorbs in a flat mode over 3-fold fcc nitrogen hollow sites. The HDS mechanism may potentially proceed either unimolecularly (direct desulfurization) or via H-assisted reactions (hydrogenation). Due to a sizable activation barrier required for the first Csingle bondS bond scission of 54.6 kcal/mol, we predict that the direct desulfurization to contribute rather very insignificantly in the HDS mechanism. Transfer of adsorbed hydrogen atoms on the γ-Mo2N surface to the thiophene ring substantially reduces activation barrier required in the Csingle bondS bond scission to only 24.1 kcal/mol in a process that affords an adsorbed C4H6* species and an S atom. Further hydrogenation of the unsaturated C4H6* produces 2-butene. Kinetics and thermodynamics attributes dictate the occurrence of partial rather than full hydrogenation of C4H6*. Calculated rate constants for all individual steps could be utilized to construct a robust kinetic model for the overall HDS process. Estimated conversion values of thiophene predict 50–70% consumption of thiophene at 700 K and low values of gas hourly space velocities. Reaction routes and kinetic parameters provided herein are useful to design stand-alone γ-Mo2N-based catalysts for applications entailing partial hydrogenation and hydrodesulfurization of severely contaminated S-fuels.
In this paper we introduce the basic of definitions of groups for geometric figures; we describe some of geometric figures by using the properties of groups. The classification of some geometric figures by using the properties of some algebraic structures.
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
A 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
Diyala Governorate was recently exposed to high flood waves discharged from Hemrin Dam. Since the dam was at its full capacity during the flood period, these waves were discharged to the Diyala River. Because of the reduction in Diyala River capacity to 750m3/s, the cities and villages on both sides of the river banks were inundated. Thus, the study's objective is to design a flood escape out of the Diyala River, to discharge the flood wave through it. The flood escape simulation was done by using HEC- RAS software. Two hundred twenty-three cross sections for the escape and 30 cross-sections of the Diyala River were used as geometric data. Depending on the geological formation that the escape passed t
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In this paper we define and study new generalizations of continuous functions namely, -weakly (resp., w-closure, w-strongly) continuous and the main properties are studies: (a) If f : X®Y is w-weakly (resp., w-closure, w-strongly) continuous, then for any AÌX and any BÌY the restrictions fïA : A®Y and fB : f -1(B)®B are w-weakly (resp., w-closure, w-strongly) continuous. (b) Comparison between deferent forms of generalizations of continuous functions. (c) Relationship between compositions of deferent forms of generalizations of continuous functions. Moreover, we expanded the above generalizations and namely almost w-weakly (resp., w-closure, w-strongly) continuous functions and we state and prove several results concerning it.
in this worl three types of complexed phenolic resins were prepared using various additives such as and improving the aim of this work higher mechanical properties this work is done
