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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
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Theoretical Investigations of Vibrational – Rotational Energy of some Hydrogen Halide Molecules

A theoretical study by using computer model is presented to study the energy characteristics of the vibrational – rotational levels as a function of the vibrational and rotational quantum number, respectively. The calculations were based on the basis of a multilevel model taking into account the non-equilibrium population of the rotational levels. The computational investigation has been performed to examine the vibrational-rotational characteristics of some hydrogen halides chemical laser molecules. This program takes into account the various molecules of chemical lasers such as, Hydrogen Fluoride (HF), Deuterium Fluoride (DF), Hydrogen Chloride (HCl), and Deuterium Chloride (DCl). The practical difficulties associated with this

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Publication Date
Wed Mar 01 2023
Journal Name
Al-khwarizmi Engineering Journal
Yearly Energy, Exergy, and Environmental (3E) Analyses of A Photovoltaic Thermal Module and Solar Thermal Collector in Series

The annual performance of a hybrid system of a flat plate photovoltaic thermal system and a solar thermal collector (PVT/ST) is numerically analyzed from the energy, exergy, and environmental (CO2 reduction) viewpoints. This system can produce electricity and thermal power simultaneously, with higher thermal power and exergy compared to conventional photovoltaic thermal systems. For this purpose, a 3D transient numerical model is developed for investigating the system's performance in four main steps: (1) investigating the effects of the mass flow rate of the working fluid (20 to 50 kg/h) on the temperature behavior and thermodynamic performance of the system, (2) studying the impacts of using glass covers on the different parts of the s

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Publication Date
Sun Dec 05 2010
Journal Name
Baghdad Science Journal
Preparation and Study Hardness and Thermal Conductivity (Tc) to Polyester Resin Composite with (Titanium Dioxide, Zinc Oxide, Acrylonitril, Wood Flour Coconut

This study is attempt to improve thermal isolation through measuring thermal conductivity composite of on polyester resin with fillers of (TiO2, ZnO, Acrylonitril, wood flour Coconut (Wf). The grain size of the fillers is 200 µm. The number of samples is (16) in addition to the virgin sample; these samples are prepared by cast molding method for polyester with filler volume fractions (5%, 10%, 15% and 20%). Shore hardness tests were used to measure the hardness and Lee disk method for thermal conductivity. The experimental results showed that the (20% ZnO) sample has the maximum value of thermal conductivity where (20% w.f) has minimum thermal conductivity .on the other hand (15% ZnO) sample give the maximum value of hardness where (20% w

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Publication Date
Wed Dec 13 2017
Journal Name
Al-khwarizmi Engineering Journal
Thermal Behaviour of Paraffin Wax/Poly Vinyl Alcohol Composite Material

Polymer additives binder system provides many properties useful in thermal energy storage (TES) then developed the efficient energy storage materials and green strength bodies system.

This paper studies the thermal energy storage property for polyvinyl alcohol (PVOH) / paraffin wax (WPw) blends. To enhance paraffin wax thermal conductivity, PVOH as a material which high conductivity was employed. A fixed weight of Paraffin wax was dispersed with PVOH heterogeneously at different additive weights ratios of PVOH/Pw (50/50, 67/33, 75/25, and 80/20) wt. ratio respectively. The composite material was prepared using wetted pressing method.

Both base materials (polyvinyl alcohol and paraffin wax) were scanned using differential

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Publication Date
Mon Dec 26 2016
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
ESTIMATION OF THE CHEMICAL COMPONENTS OF WASTES PRESSED GRAPES A STUDY THE EFFECT OF THERMAL EXTRACTS TRANSACTIONS IN INHIBITING THE GROWT OF MICROORGANISMS.: ESTIMATION OF THE CHEMICAL COMPONENTS OF WASTES PRESSED GRAPES A STUDY THE EFFECT OF THERMAL EXTRACTS TRANSACTIONS IN INHIBITING THE GROWT OF MICROORGANISMS.

The chemical composition of wastes of pressed grapes and found that the main components of wastes of pressed grapes, represented by the percentage of moisture was 6.47%, and the proportions are 3.71%. Either carbohydrates amounted to 85.77 %, either in fat models using petroleum ether Petroleum ether) was the increase of 0.27%. estimated the percentage of ash in the sampls was 3.78%, either fiber reached 69.47 %,, in addition to the test extracts towards the growth of seven types of bacteria, which included Bacillus subtilis, Bacillus cereus, Bacillus stearothermophilus, Escherishia coli, Staphylococcus aureus, Salmonella typhimurium and Pseudomonas fluorescens and yeast Candida albicans and Kluyveromyces marxianus, ( diffusion method ).

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Publication Date
Mon Apr 10 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Fabrication of Photodetector and Study of Its Structural and Optical Properties of Cadmium Oxide Thin Films Prepared by Vacuum Thermal Evaporation Method

     The fabricated Photodetector n-CdO /-Si factory thin films Altboukaraharara spatial silicon multi- crystallization of the type (n-Type) the deposition of a thin film of cadmium and at room temperature (300K) and thickness (300 ± 20nm) and the time of deposition (1.25sec) was antioxidant thin films cadmium (Cd) record temperature (673k) for one hour to the presence of air and calculated energy gap optical transitions electronic direct ( allowed ) a function of the absorption coefficient and permeability and reflectivity by recording the spectrum absorbance and permeability of the membrane record within the wavelengths (300 1100nm). was used several the bias ranged between 1-5 Volts. The results showed that this

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Publication Date
Tue Jan 01 2019
Journal Name
Advances On Computational Intelligence In Energy
A Theoretical Framework for Big Data Analytics Based on Computational Intelligent Algorithms with the Potential to Reduce Energy Consumption

Within the framework of big data, energy issues are highly significant. Despite the significance of energy, theoretical studies focusing primarily on the issue of energy within big data analytics in relation to computational intelligent algorithms are scarce. The purpose of this study is to explore the theoretical aspects of energy issues in big data analytics in relation to computational intelligent algorithms since this is critical in exploring the emperica aspects of big data. In this chapter, we present a theoretical study of energy issues related to applications of computational intelligent algorithms in big data analytics. This work highlights that big data analytics using computational intelligent algorithms generates a very high amo

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Publication Date
Tue Dec 01 2009
Journal Name
Iraqi Journal Of Physics
Study of the heat treatment effect on electrical and porosity of Cermet Coating layers (Zro2 – Y2O3) prepared by Thermal Spraying

The technical of Flame Thermal Spray had been used in producing a cermet
composite based on powders of stabilized zirconium oxide containing amount of
Yatteria oxide (ZrO2- 8Y2O3) reiforced by minerals powders of bonding material
(Ni-Cr- Al- Y) in different rates of additions (25, 35, 50) on stainless steel base type
(304) after preparing it by the way of Grit Blasting.
Before heat treatment, the coated cermet layers were characterized for porosity
and electric resistivity. All samples were heat treated in vacuum furnace at different
temperature and times. The physical tests had been operated after heat treatment
and gave best results especially porosity, which found to be reduced dramatically
and producing hig

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Publication Date
Sat Mar 01 2008
Journal Name
Al-khwarizmi Engineering Journal
Study the Effect of Carbon Fiber Volume Fraction and their Orientations on the Thermal Conductivity of the Polymer Composite Materials.

      The effect of fiber volume fraction of the carbon fiber on the thermal conductivity of the polymer composite material was studied. Different percentages of carbon fibers were used (5%, 10%, 15%, 20%, and 25%). Specimens were made in two groups for unsaturated polyester as a matrix and carbon fibers, first group has parallel arrangement of fibers and the second group has perpendicular arrangement of fibers on the thermal flow, Lee's disk method was used for testing the specimens. This study showed that the values of the of thermal conductivity of the specimens when the fibers arranged in parallel direction was higher than that when the fibers arranged in the perpendicular direction  

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Study the effect of fish on the optical properties of CuO membranes prepared in a way that thermal spraying chemical

In this research study the effect of fish on the properties optical films thickness 1200-1800 and calculated energy gap Basra direct transport permitted and forbidden to membranes and urged decreasing values ??of Optical Energy Gap increase fish included accounts optical also calculate the constants visual as factories winding down and the refractive index and reflectivity membranes also by real part and imaginarythe dielectric constant

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