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bsj-2619
Theoretical Study of Thermal Cracking For Acenaphthylene Molecule
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Density Functional Theory (DFT) calculations were carried out to study the thermal cracking for acenaphthylene molecule to estimate the bond energies for breaking C8b-C5a , C5a-C5 , C5-C4 , and C5-H5 bonds as well as the activation energies. It was found that for C8b-C5a , C5-C4 , and C5-H5 reactions it is often possible to identify one pathway for bond breakage through the singlet or triplet states. The atomic charges , dipole moment and nuclear – nuclear repulsion energy supported the breakage bond .Also, it was found that the activation energy value for C5-H5 bond breakage is lower than that required for C8b-C5a , C5a-C5 , C5-C4 bonds which refer to C5-H5 bond in acenaphthylene molecule are weaker than C8b-C5a , C5a-C5 , C5-C4 bonds .It is reasonable to presume that C5-H5 bonds are broken first when a acenaphthylene molecule is exposed to thermal cracking. It seems that the characteristic planarity for the polyaromatic hydrocarbons is an important factor to acquire the molecule structure of the required stability along the reaction path . The trends in the bond energies and the configuration structures are discussed .

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Publication Date
Wed Jun 30 2010
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Characterization and Cracking Activity of Zeolite Prepared from Local Kaolin
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The synthesis of zeolite NaX from locally available kaolin has been studied. The operating conditions for zeolite NaX production from kaolin with good crystallinity were as follows; a gel formation step of metakaolin in alkaline medium in presence of additional silica to crystallize the zeolite was achieved at 60 oC for 1 hr,and with stirring. In ageing step of the reactants at room temperature for 5 days and crystallization step at 87±2 oC for 24 hr. The catalytic activity of catalyst prepared from local kaolin was studied by using cumene cracking as a model for catalytic cracking and compared with standard HY zeolite and HX zeolite catalysts. The activity test was carried out in a laboratory continuous flow unit with fixed bed reactor

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Publication Date
Wed Dec 01 2010
Journal Name
University Of Baghdad
Catalytic cracking of cumene in fluidized bed reactor with zeolite
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Publication Date
Fri Sep 01 2006
Journal Name
Journal Of Engineering
Effect of Transverse Base Width Restraint on the Cracking Behavior of Massive Concrete
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The effect of considering the third dimension in mass concrete members on its cracking behavior is investigated in this study. The investigation includes thermal and structural analyses of mass concrete structures. From thermal analysis, the actual temperature distribution throughout the mass concrete body was obtained due to the generation of heat as a result of cement hydration in addition to the ambient circumstances. This was performed via solving the differential equations of heat conduction and convection using the finite element method. The finite element method was also implemented in the structural analysis adopting the concept of initial strain problem. Drying shrinkage volume changes were calculated using the procedure suggested

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Publication Date
Sat Jul 22 2023
Journal Name
Journal Of Engineering
Effect of Transverse Base Width Restraint on the Cracking Behavior of Massive Concrete
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The effect of considering the third dimension in mass concrete members on its cracking behavior is investigated in this study. The investigation includes thermal and structural analyses of mass concrete structures. From thermal analysis, the actual temperature distribution throughout the mass concrete body was obtained due to the generation of heat as a result of cement hydration in
addition to the ambient circumstances. This was performed via solving the differential equations of heat conduction and convection using the finite element method. The finite element method was also implemented in the structural analysis adopting the concept of initial strain problem. Drying shrinkage volume changes were calculated using the procedure sug

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Publication Date
Thu Feb 08 2024
Journal Name
Engineering, Technology & Applied Science Research
Mitigating Reflection Cracking in Asphalt Concrete Overlays with ECC and Geotextile
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The rehabilitation of deteriorated pavements using Asphalt Concrete (AC) overlays consistently confronts the reflection cracking challenge, where inherent cracks and joints from an existing pavement layer are mirrored in the new overlay. To address this issue, the current study evaluates the effectiveness of Engineered Cementitious Composite (ECC) and geotextile fabric as mitigation strategies. ECC, characterized by its tensile ductility, fracture resistance, and high deformation capacity, was examined in interlayer thicknesses of 7, 12, and 17 mm. Additionally, the impact of geotextile fabric positioning at the base and at 1/3 depth of the AC specimen was explored. Utilizing the Overlay Testing Machine (OTM) for evaluations, the research d

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Publication Date
Wed Jun 01 2022
Journal Name
Iranian Journal Of Chemistry And Chemical Engineering
The Thermal Pre-processing Technique of the Bio-waste for Contaminated Water Treatment: Histological and Experimental Study
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The current study suggested a thermal treatment as a necessary proactive step in improving the adsorption capacity of bio-waste for contaminants removal in wastewater. This approach was based on the experimental and histological investigation of biowaste pods shell. This investigation showed that these shells compose of parenchyma cells that store secondary metabolites compounds produced from cells were exhibited in present study. The results also reported that these compounds are extracted directly from the cells as soon as they are exposed to an aqueous solution, hampering their use as an adsorbent material. The increase in the weight of bio-waste adsorbent at unit liquid volume increases the production of secondary metabolites compounds

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Publication Date
Fri Jan 30 2026
Journal Name
Iraqi Journal Of Science
Theoretical Study of Positive and Negative Parity Coulomb Transitions in 40,48Ca
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Hsieh-Wildenthal (HW) and G-matrix PF1, (GXPF1) interactions for 40Ca and 48Ca, respectively. The 40Ca was considered to be consisted of 32S as a core and 1d3/21f7/2 subshells as a model space. The 48Ca was considered to be consisted of 40Ca as a core and 1f7/22p3/21f5/2 2p1/2 subshells as a model space. The obtained one body-density matrix elements (OBDME) for both interactions for the studied Coulomb transitions:  For 40Ca, the three non-normal parity transitions (C3): ,  and  and one C5 transitions,  .  For 48Ca, the two C2 transitions:  and  and one C4 transitions  were used in parallel with the transformed harmonic-oscillator basis to compute charge density, elastic electron scattering differential cross-section and ela

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Publication Date
Sun Sep 02 2012
Journal Name
Baghdad Science Journal
Study Of Factors Affecting The Thermal Conductivity Of Iraqi Bentonite
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Thermal conductivity of compacted bentonite is one of the most important properties where this type of clay is proposed for use as a buffer material. In this study, Lee's disc method was used to measure the thermal conductivity of compacted bentonite specimens. The experimental results have been analyzed to observe the three major factors affecting the thermal conductivity of bentonite buffer material. While the clay density reaches to a target value, the measurement is taken to evaluate the thermal conductivity. By repeating this procedure, a relationship between clay dry density and thermal conductivity has been established in specimens after adjusting the water contents of the bentonite by placing its specimens in a drying oven for diffe

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Publication Date
Sun Jun 05 2016
Journal Name
Baghdad Science Journal
Synthesis and Characterization of Cu(I)-Folic Acid Complex A Theoretical and Experimental Study
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Copper (I) complex containing folic acid ligand was prepared and characterized on the basis of metal analyses, UV-VIS, FTIR spectroscopies and magnetic susceptibility. The density functional theory (DFT) as molecular modeling calculations was used to determine the donor atoms of folic acid ligand which appear clearly at oxygen atoms binding to hydrogen. Detection of donation sights is supported by theoretical parameters such as geometry, mulliken population, mulliken charge and HOMO-LUMO gap obtained by DFT calculations.

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Publication Date
Mon Jun 19 2023
Journal Name
Journal Of Engineering
Theoretical Study of the Effect of Permeability Tensor upon Drainage of Soils
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the influence of permeability tensor upon drainage of anisotropic soils under ponded water and steady recharge (rainfall) is theoretically investigated. Tensorial permeability has led to the formulation of mixed type partial differential equations. Since there is no analytical solution to this problem, the formulation is therefore solved numerically by the method of finite elements. The finite element formulation is implemented into a computer model which can be applied to any problem of seepage under steady state
conditions. Two different example problems representing two different flow conditions under full anisotropy have been studied. Results of the model for the isotropic case were checked against exact mathematical solutions de

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