Preferred Language
Articles
/
bsj-7380
Degradation of Indigo Dye Using Quantum Mechanical Calculations
...Show More Authors

The semiempirical (PM3) and DFT quantum mechanical methods were used to investigate the theoretical degradation of Indigo dye. The chemical reactivity of the Indigo dye was evaluated by comparing the potential energy stability of the mean bonds. Seven transition states were suggested and studied to estimate the actually starting step of the degradation reaction. The bond length and bond angle calculations indicate that the best active site in the Indigo dye molecule is at C10=C11.  The most possible transition states are examined for all suggested paths of Indigo dye degradation predicated on zero-point energy and imaginary frequency. The first starting step of the reaction mechanism is proposed. The change in enthalpy, Gibbs free energy and change in entropy of the overall reaction are equal to -548268.223 kcal/mol, 30831.951 kcal/mol and 48.552 cal/mol.deg, respectively. The activation energy is 46176.405 kcal/mol. The reaction rate is equal to .

Scopus Crossref
View Publication Preview PDF
Quick Preview PDF
Publication Date
Thu May 05 2022
Journal Name
Journal Of Taibah University For Science
Innovative economic anthocyanin dye source for enhancing the performance of dye-sensitized solar cell
...Show More Authors

View Publication
Scopus (11)
Crossref (12)
Scopus Clarivate Crossref
Publication Date
Sun Jul 12 2020
Journal Name
Baghdad Science Journal
Spectroscopy Characterization of Ethylene Vinyl Acetate Degradation by Different Kinds of Accelerated Aging
...Show More Authors

            This paper presents a sight about the chemical structure deformation of poly (ethylene-co-vinyl acetate) (EVA) samples according to the change ratio of rate constant values. Spectroscopy kinetics fluorescence curves are fitted for two characteristic wavelength domains of fluorescent intensities. The short wavelengths (320-400 nm) domain show spectra overlapping, while at long wavelengths (400-800 nm) domain spectra are arranged in regular for each specific accelerated aging time. The ratio of kinetics rate constant at long wavelengths to kinetics rate constant of short wavelengths is the criterion of the degree chemical structure deformation. Molar extrin

... Show More
View Publication Preview PDF
Scopus (13)
Crossref (11)
Scopus Clarivate Crossref
Publication Date
Sun Nov 01 2020
Journal Name
Chemosphere
Sorption and degradation of ranitidine in soil: Leaching potential assessment
...Show More Authors

View Publication
Scopus (7)
Crossref (6)
Scopus Clarivate Crossref
Publication Date
Fri Mar 30 2001
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Kinetic Mechanism on Thermal Degradation of a Nitrate Ester Propellant
...Show More Authors

View Publication Preview PDF
Publication Date
Wed Dec 15 2010
Journal Name
Iraqi Journal Of Laser
Photodynamic Inactivation of Candida Albicans Sensitized by Malachite Green
...Show More Authors

The aim of this study is to investigate the ability of malachite green (MG) combined with 650nm diode laser to kill Candida albicans and to spectrally study the MG photodegradation after photodynamic therapy (PDT) spectrally. Cultures of Candida albicans were exposed to 40mW, 650 nm diode laser in the absence of MG. In PDT group, the MG was added to the Candida suspension for 5 min then exposed to diode laser for (5, 10, 15, 20) min at power density of 0.59W/cm2. The absorption spectrum of the photosensitized fungal suspension was obtained. The data were submitted to T-test (p<0.05). A 650nm diode laser in the presence of MG reduced the number of CFU/ml in 98.4%. Laser with 650nm alone and MG alone did not reduce significantly the num

... Show More
View Publication Preview PDF
Publication Date
Wed Jan 02 2019
Journal Name
Pramana
The description of quantum dielectric function for insulators over Bethe surface
...Show More Authors

View Publication
Scopus (4)
Crossref (3)
Scopus Clarivate Crossref
Publication Date
Tue Dec 02 2014
Journal Name
International Journal Of Innovative Science, Engineering & Technology
Structural and Optical Properties of Synthesized Manganese doped ZnS Quantum Dots
...Show More Authors

ZnS:MnP2+P nanoparticles were prepared by a simple microwave irradiation method under mild condition. The starting materials for the synthesis of ZnS:MnP 2+P quantum dots were zinc acetate as zinc source, thioacetamide as a sulfur source, manganese chloride as manganese source (R & M Chemical) and ethylene glycol as a solvent. All chemicals were analytical grade products and used without further purification. The quantum dots of ZnS:MnP 2+P with cubic structure were characterized by X-ray powder diffraction (XRD), the morphology of the film is seen by scanning electron microscopy (SEM) also by field effect scanning electron microscopy (FESEM). The composition of the samples is analysed by EDS. UV-Visible absorption spectroscopy analysis

... Show More
Publication Date
Fri Sep 09 2022
Journal Name
Journal Of Ovonic Research
Confinement factor and carrier recombination of InGaAsP/InP quantum well lasers
...Show More Authors

Low-dimensional materials have attracted significant attention in developing and enhancing the performance of quantum well lasers due to their extraordinary unique properties. The optical confinement factor is one of the most effective parameters for evaluating the optimal performance of a semiconductor laser diode when used to measure the optical gain and current threshold. The optical confinement factor and the radiative recombination of single quantum wells (SQW) and multi-quantum wells (MQW) for InGaAsP/InP have been theoretically studied using both radiative and Auger coefficients. Quantum well width, barrier width, and number of quantum wells were all looked at to see how these things changed the optical confinement factor and

... Show More
View Publication
Scopus (2)
Crossref (1)
Scopus Crossref
Publication Date
Wed Feb 15 2023
Journal Name
Environmental Technology
Bio-synthesis of TiO<sub>2</sub> using grape leaves extract and its application for photocatalytic degradation of ibuprofen from aqueous solution
...Show More Authors

View Publication
Scopus (5)
Crossref (5)
Scopus Clarivate Crossref
Publication Date
Mon Nov 01 2010
Journal Name
Iraqi Journal Of Physics
Preparation of Xerogel Films Doped with R6G Laser Dye using spin coating technique and Study the Spinning parameters Baha T.
...Show More Authors

Spin coating technique has been applied in this work to prepared Xerogel films doped with Rhodamine 6G laser dyes. The solid host of laser dye modifies its spectroscopic properties with respect to liquid host. During the spin coating process the dye molecules suffer from changing their environment. The effects of three parameters were studied here: the spinning speed, multilayer coating and formaldehyde addition

View Publication Preview PDF