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.
Production of fatty acid esters (biodiesel) from oleic acid and 2-ethylhexanol using sulfated zirconia as solid catalyst for the production of biodiesel was investigated in this work.
The parameters studied were temperature of reaction (100 to 130°C), molar ratio of alcohol to free fatty acid (1:1 to 3:1), concentration of catalyst (0.5 to 3%wt), mixing speed (500 to 900 rpm) and types of sulfated zirconia (i.e modified, commercial, prepared catalyst according to literature and reused catalyst). The results show the best conversion to biodiesel was 97.74% at conditions of 130°C, 3:1, 2wt% and 650 rpm using modified catalyst respectively. Also, modified c
... Show MoreThe purpose of this paper is to give the definition of projective 3-space PG(3,q) over Galois field GF(q), q = pm for some prime number p and some integer m.
Also, the definition of the plane in PG(3,q) is given and state the principle of duality.
Moreover some theorems in PG(3,q) are proved.
Let
be an
module, and let
be a set, let
be a soft set over
. Then
is said to be a fuzzy soft module over
iff
,
is a fuzzy submodule of
. In this paper, we introduce the concept of fuzzy soft modules over fuzzy soft rings and some of its properties and we define the concepts of quotient module, product and coproduct operations in the category of
modules.
The notion of a Tˉ-pure sub-act and so Tˉ-pure sub-act relative to sub-act are introduced. Some properties of these concepts have been studied.
Throughout this paper S will be denote a monoids with zero. In this paper, we introduce the concept of En- prime subact, where a proper subact B of a right S- act As is called En- prime subact if for any endomorphism f of As and a As with f(a)S⊆ Bimplies that either a B or f(As) ⊆ B. The right S-act As is called En-prime if the zero subact of As is En-prime subact. Some various properties of En-prime subact are considered, and also we study some relationships between En-prime subact and some other concepts such as prime subact and maximal subact.
Mobile ad hoc network is nothing but the temporary network which is having the collection of mobile nodes. Routing and broadcasting are major operations of MANET network. The major operation in ad hoc mobile network is the broadcasting which sometime results to storm problem of the broadcast if the forwarding mechanism is not properly designated. Thus the challenges in the MANET are to reduce the broadcasting redundancy and under high transmission error rate provides high delivery ratio. Hence in our proposed research, we are introducing and investigating the new mechanism of broadcasting called Dual Covered Broadcast. This method takes the broadcast redundancy advantage order to improve packet delivery ratio especially under environments w
... Show MoreThe hydroconversion of Iraqi light straight run naphtha was studied on zeolite catalyst. 0.3wt.%Pt/HMOR catalyst was prepared locally and used in the present work. The hydroconversion performed on a continuous fixed-bed laboratory reaction unit. Experiments were performed in the temperature range of 200 to 350°C, pressure range of 3 to 15 bars, LHSV range of 0.5-2.5h-1, and the hydrogen to naphtha ratio of 300.
The results show that the hydroconversion of Iraqi light straight naphtha increases with increase in reaction temperature and decreases with increase in LHSV.
High octane number isomers were formed at low temperature of 240°C. The selectivity of hydroisomerization improved by increasing reaction pressu
... Show MoreThe catalytic activity of faujasite type NaY catalysts prepared from local clay (kaolin) with different Si/Al ratio was studied using cumene cracking as a model for catalytic cracking process in the temperature range of 450-525° C, weight hourly space velocity (WHSV) of 5-20 h1, particle size ≤75μm and atmospheric pressure. The catalytic activity was investigated using experimental laboratory plant scale of fluidized bed reactor.
It was found that the cumene conversion increases with increasing temperature and decreasing WHSV. At 525° C and WHSV 5 h-1, the conversion was 42.36 and 35.43 mol% for catalyst with 3.54 Si/Al ratio and Catalyst with 5.75 Si/Al ratio, respectively, while at 450° C and at the same WHSV, the conversion w
Two methods were established to separate cobalt from the spent catalyst CoMo which also contain Co, Al and Fe. The first method was the precipitation technique by controlling the pH. At pH 5, 76% of the cobalt which was collected with 1.4% Al and 0.5% Fe as contaminants. The second method was the anion exchange by using Amberlite 400 resin, 100% of the cobalt and was collected with 99.46% purity.The only contaminant was Fe with 0.54% with no Al. For a large scale production of cobalt from this spent catalyst, a batch process was designed with a production of 80 grams per batch by using the anion exchange technique. Kilograms quantities of Co were collected.
Internet of Things (IoT) is one of the newest matters in both industry and academia of the communication engineering world. On the other hand, wireless mesh networks, a network topology that has been debate for decades that haven’t been put into use in great scale, can make a transformation when it arises to the network in the IoT world nowadays. A Mesh IoT network is a local network architecture in which linked devices cooperate and route data using a specified protocol. Typically, IoT devices exchange sensor data by connecting to an IoT gateway. However, there are certain limitations if it involves to large number of sensors and the data that should be received is difficult to analyze. The aim of the work here is to implement a self-
... Show More
(5)
(3)