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Theoretical and experimental studies for different compounds to calculate: electronic transfer, energy gap and NLO properties
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This work involves theoretical and experimental studies for seven compounds to calculate the electrons spectrum and NLO properties. The theoretical study is done by employing the Time Depending Density Functional Theory TD-DFT and B3LYP/high basis set 6-311++G (2d,2p), using Gaussian program 09. Experimental study by UV/VIS spectrophotometer device to prove the theoretical study. Theoretical and experimental results were applicable in spectrum and energy gap values, in addition to convergence theoretically the energy gap results from ΔEHOMO-LUMO and UV/VIS. spectrum. Consider the theoretical method very appropriate to compounds that absorb in vacuum UV.

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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
Theoretical Estimation of Electronic Flow Rate at Al-TiO<sub>2</sub> Interfaces System
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Abstract<p>The mechanism of the electronic flow rate at Al-TiO<sub>2</sub> interfaces system has been studied using the postulate of electronic quantum theory. The different structural of two materials lead to suggestion the continuum energy level for Al metal and TiO<sub>2</sub> semiconductor. The electronic flow rate at the Al-TiO2 complex has affected by transition energy, coupling strength and contact at the interface of two materials. The flow charge rate at Al-TiO2 is increased by increasing coupling strength and decreasing transition energy.</p>
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Publication Date
Sat Jan 01 2022
Journal Name
Aip Conference Proceedings
Theoretical calculation of the electronic current at N3 contact with TiO2 solar cell devices
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In this study, a theoretical scenario has been used to calculate the electronic current in sensitizer N3 molecule contact to TiO2 semiconductor for electrons in functional solar cells. It is known to play an important role on the compute the eficiency of solar cell. Some parameters of electronic current such as the transition energy, driving force energy, barrier height coupling overlapping values are determined. Transition energy is a necessary parameter to calculate the electronic current in solar cell with using wide polarity solvents Acetic acid, 2-Methoxyethanol, 1-Butanol, Methyl alcohol, chloroform, N,N-Dimethylacetamide and Ethyl alcohol via the quantum donor-acceptor system. Here, we show the results of transition energy can be var

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Publication Date
Sat Jan 01 2022
Journal Name
Aip Conference Proceedings
Theoretical calculation of the electronic current at N3 contact with TiO2 solar cell devices
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(3) (PDF) Theoretical calculation of the electronic current at N3 contact with TiO2 solar cell devices. Available from: https://www.researchgate.net/publication/362780274_Theoretical_calculation_of_the_electronic_current_at_N3_contact_with_TiO2_solar_cell_devices [accessed May 01 2023].

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Publication Date
Thu Jan 15 2009
Journal Name
Journal Of Kerbala University
Viscosity and Volumetric studies of some amino acids in solutions at different temperatures
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Densities ρ and viscosities η for several concentrations of amino acids (Serine, Cysteine and Threonine) at different temperatures (298.15, 303.15 and 308.15K) have been measured. On the basis of these data, the apparent molal volumes v , partial molal volumes at infinite dilution v , slope Sv , Gibbs free energy of activation for viscous flow of solution ∆G1,2 and Jones – Dole Bcoefficients were calculated the nature of solute-solvent and solute-solute interactions have been discussed in terms of the values of v , v , Sv and B-coefficents

Publication Date
Wed Oct 08 2008
Journal Name
Journal Of Kerbala University
Viscosity and Volumetric studies of some amino acids in solutions at different temperatures.
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Publication Date
Sat Feb 09 2019
Journal Name
Journal Of The College Of Education For Women
A comparative Study to calculate the Runs Property in the encryption systems
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Cryptographic applications demand much more of a pseudo-random-sequence
generator than do most other applications. Cryptographic randomness does not mean just
statistical randomness, although that is part of it. For a sequence to be cryptographically
secure pseudo-random, it must be unpredictable.
The random sequences should satisfy the basic randomness postulates; one of them is
the run postulate (sequences of the same bit). These sequences should have about the same
number of ones and zeros, about half the runs should be of length one, one quarter of length
two, one eighth of length three, and so on.The distribution of run lengths for zeros and ones
should be the same. These properties can be measured determinis

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Publication Date
Tue Jun 30 2020
Journal Name
Membranes
Experimental and Theoretical Analysis of Lead Pb2+ and Cd2+ Retention from a Single Salt Using a Hollow Fiber PES Membrane
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The present work reports the performance of three types of polyethersulfone (PES) membrane in the removal of highly polluting and toxic lead Pb2+ and cadmium Cd2+ ions from a single salt. This study investigated the effect of operating variables, including pH, types of PES membrane, and feed concentration, on the separation process. The transport parameters and mass transfer coefficient (k) of the membranes were estimated using the combined film theory-solution-diffusion (CFSD), combined film theory-Spiegler-Kedem (CFSK), and combined film theory-finely-porous (CFFP) membrane transport models. Various parameters were used to estimate the enrichment factors, concentration polarization modulus, and Péclet number. The pH values signif

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Publication Date
Mon Jan 20 2020
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Effect of Composition and Dielectric Properties for (YBCO) Superconductor Compound in Different Preparation Methods
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     The superconductor compound (YBa2Cu2.8Zn0.2O7+δ) is prepared by solid state reaction (SSR), Sol-gel (SG) and laser Pulse deposition (PLD) methods. We used the X-ray diffraction technique, which shows an orthorhombic crystalline system for all the samples, and increase in the high-phase (Y-123) and decrease in low-phase and vary in proportion according to the method of preparation with the emergence of some impurities. The behavior of the samples in terms of electrical resistance and critical temperature was investigated all samples showed superconducting behavior. The properties of the dielectric (real dielectric constant, imaginary dielectric constant, loss tangent, alternating electrical conductivity) were s

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Publication Date
Sun Feb 05 2023
Journal Name
Engineering, Technology & Applied Science Research
Performance Evaluation of Emulsion Liquid Membrane on Chlorpyrifos Pesticide Removal: Stability, Mass Transfer Coefficient, and Extraction Efficiency Studies
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Emulsion Liquid Membrane (ELM) is an emerging technology that removes contaminants from water and industrial wastewater. This study investigated the stability and extraction efficiency of ELM for the removal of Chlorpyrifos Pesticide (CP) from wastewater. The stability was studied in terms of emulsion breakage. The proposed ELM included n-hexane as a diluent, span-80 as a surfactant, and hydrochloric acid (HCl) as a stripping agent. Parameters such as mixing speed, aqueous feed solution pH, internal-to-organic membrane volume ratio, and external-to-emulsion volume ratio were investigated. A minimum emulsion breakage of 0.66% coupled with a maximum chlorpyrifos extraction and stripping efficiency were achieved at 96.1% and 95.7% at b

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Publication Date
Wed Apr 10 2013
Journal Name
Journal Of Materials Science And Engineering
Energy Transfer of Rhodamine110-Oxazine1 Mixtures Encapsulated in Glass Like Silica Xerogel Matrices
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