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دراسة مقارنة ترددات الاهتزاز والصفات الفيزياوية والطاقية لوحدات بناء جزيئة الفلرين و(ZigZag) (SWCNT) باستخدام طريقة ميكانيك الكمي == Comparative Study of Vibrational Frequencies, Physical And Energetic Properties For Units Construction of Fullerene Molecule And (ZigZag) (SWCNTs) Using Quantum Mechanical Method

Author name: خالدة عبيد سماوي
Supervisor name: رحاب ماجد كبة
General topic: Chemistry
Specific topic: Analytical Chemistry
Degree: Master
University: University of Baghdad - College Of Science - Chemistry Department
Language: English
University location: Baghdad
First pages: 25T1466 - p.pdf
Abstract: Chapter one : Includes an introduction of the light scattering, types of light scattering and its relation ship to the size of precipitate particles which causing the scatter of light. It also involves an introduction to the concept of turbidity and nephelometry for the scattering of incident light, units of both these, as well as an introduction of light emitting diode. This chapter also describes an introduction to flow injection analysis, its principles of the FIA, dispersion, diffusion law , kinds and application and finally followed with the aims of the project.Chapter two : Comprises a complete description for the chemicals used, their preparations in addition to describe the components of flow injection system.Chapter three : consists of two parts : First part : Describes the design of Ayah 6SX1 - T - 2D solar cell CFI Analyser. Also, a full well clear representation of the expected echanism of what might be happened inside the measuring cell for what was measured whether turbidity solutions (measured reflection of incident light by the presence of precipitate particles surface) or a coloured transparent solutions will act normally as absorbance measurement. In second part : A description for the calculation of dilution factor toevaluate the designed manifold system in continuous flow injection analysis via the chasse and following an air bubble through the whole design. Chapter four : Describes the efficiency and its capability of Ayah 6SX1 - T - 2D solar cell CFI Analyser in distinguishing between precipitated and coloured transparent solutions.For precipitate reaction product gives a positive responses by the effect of reflection , this method is used to determine Cd(II) ion. A method is based on the formation of a yellowish white precipitate for the complex Cd3[Fe(CN)6]2.The linearity of Cd (II) ion is ranged from 0.05 to 12 mmol.L - 1, with correlation coefficient r= 0.9951, limit of detection (LOD) 25.29 ng/sample (3SB)(S/N=3) and the percentage relative standard deviation for 4 and 8 mmol.L - 1 less than 1 % (n=5). This method has been applied successfully to determine a Cd (II) ion in a random river samples. Also provided a comparison between the new method with the classical method (HANNA instrument for turbidity measurement) using the standard additions method via the use of ANOVA - treatments. It was noticed that there is a significant difference at ?=0.05 between the two methods at level < 0.05 was obtained.On that basis the new method can be accepted as an alternative analytical method.While a coloured transparent solutions gives a negative responses, this idea is applied for the determination of vanadium (V) ion. This method is based on oxidation of pyrogallol by vanadium (V) ion in acidic meadium to form color species. The linear dynamic range for the instrument response versus vanadium(V) concentration was 1 - 200 mg.L - 1 with correlation coefficient r = 0.9920. The limit of detection (S/N=3) was 70 ng/ sample from the step wise dilution for the minimum concentration in the linear dynamic range of the calibration graph with RSD % for the repeatability lower than 1% for 90 mg.L - 1 (n=5) concentration of vanadium(V). The method was applied successfully for the determination of vanadium (V) in three river samples. A comparison was made between : two methods proposed method with classical method (UV - Vis spectrophotometry at wave length 427 nm) using the standard addition method via the use of paired t - test. It was noticed that there was no significant difference betweentwo methods at 95 % confidence level. Chapter five : Metronidazole (MTZ) and Mebeverine hydrochloride (MVH) are determined in pharmaceutical preparation as alternative analytical procedures. That were developed by continuous flow injection analysis via turbidimetric (T0 - 180 o).For metronidazole (MTZ), the developed method was based on the formation a greenish yellow precipitate as an ion pair complex by reaction between phosphomolybdic acid with metronidazole in aqueous medium. Linear dynamic of metronidazole is ranged from 0.05 - 8 mmol.L - 1,with correlation coefficient r = 0.9821. The limit of detection (S/N= 3 )(3SB)=171.15 ng/sample from the step wise dilution for the minimum concentration in the linear dynamic ranged of the calibration graph with RSD% lower than 0.5% for 4, 4.5 mmol.L - 1 (n=5) concentration of metronidazole. The method was applied successfully for the determination of metronidazole in three pharmaceutical drugs. A comparison was made between the newly developed method analysis with the classical method (HANNA instrument for turbidity measurement) using the standard additionmethod via the use of t - test. It was noticed that there was no significant difference between two methods at 95 % confidence level. For mebeverine hydrochloride (MVH) is determined by formation of a pinkish banana color precipitate as an ion pair complex between Phosphotungstic acid with mebeverine hydrochloride in aqueous medium.The linearity is ranged form 0.05 to 12.5 mmol.L - 1, with correlation oefficient r=0.9966, limit of detection (S/N=3)(3SB)= 521.92 ng/sample and RSD% (n=6) at 2 and 6 mmol.L - 1 MVH concentration less than 1% was obtained. The method was applied successfully for the determination of mebeverine hydrochloride in three pharmaceutical drugs using standard addition method. A comparison was made between the quoted value and the practically found values for three different kinds of drug by t - test. It showedthat there was no significant difference between the quoted value of each individual company with calculated t - value at 95% confidence interval from developed method.Chapter Six : Summarizes a set of conclusions based on the results of this research work which relates to the use of new patterns and methods for the determination of some analytical species by the developed FIA technique, as well as, some future prospects for the homemade FIA system.
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