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Theoretical Study of Thermal Cracking For Acenaphthylene Molecule

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
Thu Jun 01 2023
Journal Name
Iraqi Journal Of Physics
Testing the MODIS Thermal Modes for Dust Storms Monitoring

Climate change is one of the global issues that is receiving wide attention due to its clear impact on all living organisms. This is essential for Iraq since it was classified as the fifth most vulnerable country to climate change. One of the manifestations of these changes in Iraq is the increasing frequency and severity of dust storms. In this study, the Normalized Difference Dust Index (NDDI) spectral index for Moderate Resolution Imaging Spectroradiometer (MODIS) sensor bands was used to measure and track the dust storm that occurred on May 16, 2022, as well as to test the validity of one of the daily products of this sensor, MOD11A1, to measure surface temperature and emissivity before and after the storm. It was found that the MOD0

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Publication Date
Thu Jan 31 2019
Journal Name
Journal Of Engineering
Thermal Simulation for Unconditioned Single Zone with Modified Roof

Roof in the Iraqi houses normally flattening by a concrete panel. This concrete panel has poor thermal properties. The usage of materials with low thermal conductivity and high specific heat gives a good improvements to the thermal properties of the concrete panel, thus, the indoor room temperature improves. A Mathcad program based on a mathematical model employing complex Fourier series built for a single room building. The model input data are the ambient temperature, solar radiation, and sol-air temperature, which have been treated as a periodic function of time. While, the room construction is constant due to their materials made of it, except the roof properties are taken as a variable generated practically from the

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Publication Date
Thu Dec 29 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Theoretical Study to Fatigue Crack Growth to Duplex Steel Alloy byGeneralized Paris Equation

  A theoretical study was done in this work for Fatigue , Fatigue Crack Growth (FCG) and stress factor intensity range for steel .       It also includes Generalized Paris Equation and the fulfillment of his equation which promises that there is a relation between parameters C and n .          Usig Simple Paris Equation through which we concluded the practical values of C and n and compared them with the theoretical values which have been concluded by Generalized Paris Equation .           The value of da/dN and ∆K for every material and sample were concluded and compared with the data which was used in

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Publication Date
Sun Jan 30 2022
Journal Name
Heat Transfer
Theoretical and experimental investigation of a heat pipe heat exchanger for energy recovery of exhaust air

Heat pipes and two‐phase thermosyphon systems are passive heat transfer systems that employ a two‐phase cycle of a working fluid within a completely sealed system. Consequently, heat exchangers based on heat pipes have low thermal resistance and high effective thermal conductivity, which can reach up to the order of (105 W/(m K)). In energy recovery systems where the two streams should be unmixed, such as airconditioning systems of biological laboratories and operating rooms in hospitals, heat pipe heat exchangers (HPHEs) are recommended. In this study, an experimental and theoretical study was carried out on the thermal performance of an air‐to‐air HPHE filled with two refrigerants as working fluids, R22 and R407c. The heat pipe he

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Publication Date
Sun Jul 30 2023
Journal Name
Al-rafidain Journal Of Medical Sciences
Correlation of Kidney Injury Molecule-1 and Nephrin Levels in Iraqi Patients with Diabetic Nephropathy

Diabetic nephropathy is characterized by persistent microalbuminuria and metabolic changes that decline renal functions. Researchers have been prompted to explore new biomarkers such as KIM-1 and nephrin that may enhance the identification of disease. Objective: To Evaluate biomarker levels of kidney injury molculre-1 (KIM-1) concentration and nephrin as early and sensitive markers of nephropathy in type 2 diabetic patients. Method: One hundred T2DM patients were included in a cross-sectional study at the specialized center for endocrinology and diabetes, Baghdad. The first group includes 50 diabetic nephropathy (DN) patients, and the second group includes 50 T2DM patients without DN. Biochemical and clinical parameters were reported for pa

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Publication Date
Mon Jan 29 2018
Journal Name
Iraqi Journal Of Science
Study the Effect of Temperature on Structural, Mechanical and Thermal Properties of PVC/CaCO3 Composite

In the present study, the structural properties which included the X-rays diffraction, and DSC, the mechanical properties, which include tensile test, threepoint bending test (Bending Test), hardness test and thermal conductivity of the polymers reinforced with calcite (PVC/CaCO3) at different temperature (25-40-80-
120-160-200-220) °C. The research results showed that the XC degree of X-ray diffraction decreased at high temperatures (220 ˚C), while the inter-polymerized polymer (PVC / CaCO3) increased at high temperatures. The DSC test results showed that the degree of crystallinity (XC) decreases at high temperatures (220 ˚C). The mechanical test results, their values were found to decrease at (

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Publication Date
Sun Dec 17 2017
Journal Name
Al-khwarizmi Engineering Journal
Experimental Study Using the Passive Solar Chimney for Evaporative Cooling With PCM and CFM as a Thermal Energy Storage

 

      In this work, a test room was built in Baghdad city, with (2*1.5*1.5) m3  in dimensions, while the solar chimneys (SC) were designed with aspect ratio (ar) bigger than 12. Test room was supplied by many solar collectors; vertical single side of air pass with ar equals 25, and tilted 45o double side of air passes with ar equals 50 for each pass, both collectors consist of flat thermal energy storage box collector (TESB) that covered by transparent clear acrylic sheet, third type of collector is array of evacuated tubular collectors with thermosyphon in 45o instelled  in the bottom of TESB of vertical SC. The TESB was

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Publication Date
Fri May 01 2020
Journal Name
Iop Conference Series: Materials Science And Engineering
A review of ultra-high temperature materials for thermal protection system
Abstract<p>Ultra-High Temperature Materials (UHTMs) are at the base of entire aerospace industry; these high stable materials at temperatures exceeding 1600 °C are used to manage the heat shielding to protect vehicles and probes during the hypersonic flight through reentry trajectory against aerodynamic heating and reducing plasma surface interaction. Those materials are also recognized as Thermal Protection System Materials (TPSMs). The structural materials used during the high-temperature oxidizing environment are mainly limited to SiC, oxide ceramics, and composites. In addition to that, silicon-based ceramic has a maximum-use at 1700 °C approximately; as it is an active oxidation process o</p> ... Show More
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Publication Date
Wed Apr 19 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
A Theoretical Study of Charge Transport y at Au/ ZnSe and Au/ZnS Interfaces Devices

  A quantum mechanical description of the dynamics of  non-adiabatic electron transfer in metal/semiconductor interfaces  can be achieved using simplified models  of the system. For this system we can suppose two localized quantum states donor state |D› and acceptor state |A› respectively. Expression of rate constant of electron transfer for metal/semiconductor system derived upon quantum mechanical model and perturbation theory for transition between |𝐷〉 and |𝐴〉 state when the coupling matrix element coefficient is smaller than 0.025eV. The rate of electron transfer for  Au/ ZnSe and Au/ZnS interface systems is evaluated with orientation free energy using a Matlap program. The

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Publication Date
Sun Jan 13 2019
Journal Name
Iraqi Journal Of Physics
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