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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
Sun Jul 09 2023
Journal Name
Journal Of Engineering
Performance Analysis of Four Conceptual Designs for the Air Based Photovoltaic / Thermal Collectors

The  thermal  and  electrical  performance  of  different  designs  of  air  based  hybrid photovoltaic/thermal collectors is investigated experimentally and theoretically. The circulating air is used to cool PV panels and to collect the absorbed energy to improve their performance. Four different collectors have been designed, manufactured and instrumented namely; double PV panels without cooling (model I), single duct double pass collector (model II), double duct single pass (model III), and single duct single pass (model IV) . Each collector consists of: channel duct, glass cover, axial fan to circulate air and two PV panel in parallel connection. The temperature of the upper and

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Publication Date
Fri Apr 21 2023
Journal Name
Aip Conference Proceedings
Study the contrast of thermal expansion behavior for PMMA denture base, single and hybrid reinforced using the thermomechanical analysis technique (TMA)

This research investigated the effect of adding two groups of reinforcement materials, including bioactive materials Hydroxyapatite (HA) and halloysite nanoclay and bioinert materials Alumina (AL2O3) and Zirconia (ZrO2), each of them with various weight ratios (1,2,3,4 &5)% to the polymer matrix PMMA. The best ratios were selected, and then a hybrid was preparing Composite red from the best ratios from each group. Thermal properties, including thermal conductivity and Thermomechanical Analysis (TMA) technology, have been studied. The results showed that adding 3% Hydroxyapatite (HA) and 5% halloysite nanoclay to the polymethacrylate (PMMA) mer leads to an increase in thermal conductivity. It was also found from the Thermomechanical Analysis

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Publication Date
Wed Sep 01 2021
Journal Name
Iraqi Journal Of Physics
Study the Effect of Graphene on the Contact Angle, Water Absorption and Thermal Stability ( TGA ,DSC) for Blend (Epoxy & Repcoat ZR)

In this study, polymeric coating was developed by incorporating nano graphene in the polymer blend with applications to oil storage tanks. The oil storage tanks samples were brought from the oil Pipeline Company / Doura refinery in Baghdad. The coating polymer was formed with a blend (epoxy resin and repcoat ZR). The proportion of mixing the mixture was 3:1:1 epoxy resin 21.06 gm: repcoat ZR 10.53 gm: hardener 10.53 gm. The blend/graphene was prepared using in stui-polymerization method with different weight percentage 1, 3, 5, and 7 wt % added to blend. The resulting solution was put in a glass tube on a magnetic stirrer for one hour at a temperature of 40 °C. The result of contact angle and wate

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Publication Date
Sat Dec 30 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
IR and Uv-Visible Study of the Thermal Stabilization for pvc Stabilized with ( Ho,Tb and Dy ) Stearate and Synergistic Mixtures

Three  types of  metal  carboxylates  (Ho,Tb  and  Dy) stearates were LLSed  as thennal stabi lizers for PVC. Infrared spectra (1500-1900

 

)

 

cm.1

 

were   studied   for  PVC   films   stabilized   with   these   metal

 

carboxylatcs.  Two types of oxygen  were round -containing  products that were formed during  the thermal degradation  .On the other hand , the  presence &nb

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Publication Date
Sun Mar 03 2019
Journal Name
Diyala Journal For Pure Scince
Study influence of thickness and electrode mater on some electrical properties for ZnSe thin films prepared by thermal evaporation in vacuum

Thin films of Zinc Selenide ZnSe have been prepared by using thermal evaporation in vacuum technique (10-5Torr) with thickness (1000, 2700, 4000) A0 and change electrode material and deposited on glass substrates with temperature (373K) and study some electrical properties at this temperature . The graphs shows linear relation between current and voltage and the results have shown increases in the value of current and electrical conductivity with increase thickness and change electrode material from Aluminum to Copper

Publication Date
Sun Aug 06 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study of Optical Properties of CdS Films Prepared by Thermal Evaporation in Vacuum

CdS films were prepared by thermal evaporation at pressure (10-6torr) of 1μm thickness onto glass substrate by using (Mo) boat. The optical properties of CdS films, absorbance, transmittance and reflectance were studied in wavelength range of (300-900)nm. The refractive index, extinction coefficient, and absorption coefficient were also studied. It's found that CdS films have allowed direct and forbidden transition with energy gap 2.4eV and 2.25eV respectively and it also has high absorption coefficient (α >104cm-1).

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Publication Date
Sat Jan 01 2011
Journal Name
Al-mustansiriyah Journal Of Science
TMA and DSC study of molded and annealed polyester: a thermal expansion and crystallization evaluation

Thermomechanical analysis (TMA) and differential scanning calorimetry (DSC) are used to investigate the effect of molding and annealing of polyester on the behavior of thermal expansion and crystallization since these factors play role in the reprocessing or recycling of the polymer. The dynamic mode of the TMA provides enhanced characterization information about the polyester since it separates the transitions into reversible and irreversible signals, and also reveals the progress of the amorphous regions as the polyester loses strength with the increasing temperature approaching melting. Slow cooling after annealing brings crystallization that may be attributed to molecular chain straightening due to orientation.

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Publication Date
Sun Apr 16 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Theoretical Calculations For Sputtering Yield of Iron Bombarding by (H, D, T, He) Ions

Extended calculations for  sputtering yield   through bombed Iron – target   by ( H,D ,T ,He )  ions plasma are accomplished .The calculations include changing the  input    parameters  :    the energy  of ( H,D ,T ,He ) ions plasma, the hit target angle of Iron, change  atomic   mass  of incident ion. The program TRIM is used to accomplish these calculations. The results     show   that   sputtering   yield is   directly   dependent   on   these parameters. It can   change the incident angle of ( H,D ,T ,He ) ions   and energy&n

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Publication Date
Fri Mar 15 2019
Journal Name
Al-khwarizmi Engineering Journal
Experimental and Theoretical Study of the Energy Flow of a Two Stages Four Generators Adsorption Chiller

This work is concerned with a two stages four beds adsorption chiller utilizing activated carbon-methanol adsorption pair that operates on six separated processes. The four beds that act as thermal compressors are powered by a low grade thermal energy in the form of hot water at a temperature range of 65 to 83 °C.  As well as, the water pumps and control cycle consume insignificant electrical power. This adsorption chiller consists of three water cycles. The first water cycle is the driven hot water cycle. The second cycle is the cold water cycle to cool the carbon, which adsorbs the methanol. Finally, the chilled water cycle that is used to overcome the building load. The theoretical results showed that average cycle cooling power

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Publication Date
Sat Apr 01 2017
Journal Name
Journal Of Economics And Administrative Sciences
Risks That Facing Tourism And The Managing Methods In The contemporary Challenges Theoretical study

Tourist business organizations face a challenging and the risks dynamic environment reflected its impact on the community and generate extra under pressure in the responsibilities and burdens of exceptional and affected much of factors, accidents and risks as a result of the actions and attitudes of disasters variety may exceed the geography of States border, which requires the absorption of risks facing the tourism and how to manage and deal with them scientific and reasonable grounds for the diagnosis and treatment of risk and how to reduce the aggravation and the different kinds.

As risks affecting the most important and vital to organizations as a tourist aspects of the market share and styles tourist

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