اسم المؤلف: عمر اياد ياسين القيسي

اسم المشرف: نغم شاكر تركي العوادي

الموضوع العام: علوم الكيمياء

السنة: 2014

الموضوع الدقيق: الكيمياء

الدرجة: دكتوراه

الجامعة: جامعة بغداد

اللغة: الانكليزية

مكان الجامعة: بغداد

الصفحات الاولى:

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

اسم المؤلف: خالدة عبيد سماوي

اسم المشرف: رحاب ماجد كبة

الموضوع العام: علوم الكيمياء

السنة: 2014

الموضوع الدقيق: الكيمياء التحليلية

الدرجة: ماجستير

الجامعة: جامعة بغداد

اللغة: الانكليزية

مكان الجامعة: بغداد

الصفحات الاولى:

المستخلص: 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.

التقدير الطيفي لبعض المركبات العضوية المعوضة والمستحضرات الصيدلانية من خلال الاكسدة بايون السيريوم الرباعي باستخدام المحلل الطيفي الدقيق للتحليل بالحقن الجرياني المستمر (Ayah 3S BGR x3 -3D solar cell) == Spectrophotometric Determination of Some Substituted Organic Compounds And Pharmaceuticals Formulation Via Their Oxidation With Ce(IV) Ion Using Ayah 3SBGRx3 - 3D Solar Cell CFIA Microphotometer

اسم المؤلف: مالك حسين علي العلوش العامري

اسم المشرف: نغم شاكر تركي العوادي

الموضوع العام: علوم الكيمياء

السنة: 2014

الموضوع الدقيق: الكيمياء الفيزيائية

الدرجة: دكتوراه

الجامعة: جامعة بغداد

اللغة: الانكليزية

مكان الجامعة: بغداد

الصفحات الاولى:

المستخلص: تم استخدام حسابات ميكانيك الكم التقريبية شبه التجريبية وفق نموذج الحساب PM3)) وحسابات ميكانيك الكم الاساسية التامة غير التقريبية وفق نظرية دوال الكثافة (DFT) وباسلوب B3LYP وعناصر قاعدة 6 - 311G لحساب جزيئة الفلرين التي امتلكت التماثل Ih مع وحدات بناءها (5 | Semi - empirical quantum mechanical methods (PM3) and Density Functional theory calculations (DFT/ B3LYP/ 6 - 311G) were executed to evaluate the fullerene molecule ,the internal coordinates (bond length and angles) and some physical and energetic properties.Calculations of the geometrical Parameters (bond lengths and bond angles), have shown that the (C=C) bond length is increased with increasing the size of the molecule that increased elasticity especially to fullerene to be like a ball. The (C - C) bond length is decreased with increasing the size of molecule, that means fullerene will be more stable than the other molecules.The energetic values (heat of formation) is found to be increased with the increasing of the size of molecule. The total energy is decreased with increasing size of molecule that means the stability will increase with the increasing of the size of unit construction of fullerene molecule , on the other hand , the energetic difference (E HOMO - LUMO) between the higher level of orbital and the lower level of orbital are decreased with the increasing of the size of molecule ' unit construction reaching to the fullerene molecule. So, this property will increase the significance of fullerene in the industrial and the electrical purposes.The vibrational modes frequencies with ( 3N - 6) whereas N is represented by number of molecule atoms which are evaluated with the absorption intensities of infrared frequencies. symmetrical and coordinated modes were discussed at the equilibrium geometric formation by using the programs MOPAC & Gaussian 05.It is worthy to say that it was not mentioned before that the complementary classification for the vibrated motion modes for such molecules , so our evaluations may considered unique. It is noted , as well , that CH stretching frequency has had fluctuations that means increasing and decreasing in the values of frequencies. In connected with the bending vibrated modes which taking place out of plane of the molecule are decreased with the increasing size of the unit constructions of molecule but it is increased only at the fullerene molecule. Conversely, the bending vibrated modes which are taken place in the plane of molecule are increased with the increasing the size of unit construction of molecule but are decreased at the fullerene molecule.The distribution of the electronic charges density on the atoms of unit construction of fullerene molecule were studied, the results shown the absence of the electronic charge on the atoms of Fullerene molecule and its concentrated at atoms of the outer circumferential edges C - Cc for the aromatic rings in its own unit construction. Semi - empirical methods (PM3) and Density Functional theory calculations (DFT/ B3LYP/ 6 - 311G) were carried out to evaluate the vibration frequencies and infra - red (IR) absorption intensities for equilibrium geometries of construction units of (6,0) zigzag (Mono (D6h), Di (D6d), Tri(D6h), Tetra (D6d)) ring layers SWCNTs and the internal coordinates ( bond length & angles ) at the equilibrium geometric formation symmetrically according to group theory were evaluated. The most important notes were axial bond length C - Ca which is decreased with the increasing of the tube length whether odd or even number of ring layers. The length of these mentioned axial bonds will be longer in the outer layers than the middle layers that means the increasing of stability of the tube with its length increasing , with the ability of replacing the external atoms of the tube because they are connected with longer and weaker bonds. The reverse was found with the circumferential bond lengths C - Cc was as they were increased with the increasing length of the tube whether the tube was odd or even in number of ring layers. Moreover , the lengths of these bonds are decreased in the middle side to the outer one for the odd and even ring layers. This will confirm the stability of the tube with its length increasing. The lengths of outer bonds C - H which are situated on the edges of the tube which were approximately fixed , with exception of the bond length of CH bonds in Mono ring layers which were longer because the large negative charge on carbon to which it is bonded and the large positive charge on it compared with the positive charge on hydrogen atoms of the multi - layers tubes. The heat of formation which was found to be increased with the increasing of the length of the tube , that means increasing of the stability and the aromatic properties , with the increasing of number of tube' layers. This property will increase the importance in the uses of these tubes for the industrial and electrical purposes as semi - conductors.The vibrational modes frequencies with 3N - 6 with the absorption intensities of infrared frequencies were evaluated and classified. These modes were discussed in symmetrical and coordinating manners at the equilibrium geometric formation, by using the programs of MOPAC and Gaussian 05 , with confirming on unavailability of bounded specification for such modes with 3N - 6 in the literature. We have a through our studies that the stretching vibration modes of symmetric and anti - symmetric Carbon - Carbon axial bond (C - Ca) increased with the increasing length of tube , and this will increase the physical properties for electrical conductivity with confirming on the significance of nanotube industrially. For the vibrational bending frequencies which are taking place in plane and out of plane of molecule surface as well as the vibrational stretching for odd number of ring layers (Mono and Tri) fluctuation will be happening in the relations , as all of them will be decreased with the increasing of tube ' length except (C - Caasym, C - Casym , ? CHsciss. , ? ringasym , ? ringsym and ? ringsym ) which be increased with the increasing the length of tube. The vibrational bending frequencies which are taking place in plane and out of plane of molecule surface for the even number of ring layers ( Di and Tetra layers ) will be decreased with the increasing of tube' length except (? CHsciss.) which is increased with the increasing of tube' length. Furthermore , all vibrational modes which are related to the puckering , breathing and bending movements of clockwise and anti - clockwise according to "group theory" were determined in accurate manner to which deformations are related , which are happened in the tubes , as a result of vibration, that may prevent the flow of electrons' movements and their transitions. The numerical values for the vibrational frequencies which are resulted from Semi - empirical methods (PM3) were acceptable in comparing with the strict calculations , hopping to achieve best values and to be close to the values obtained for the strict calculations (DFT) method to be suited with the basis and standards that are depended internationally. Some of these values were corrected by multiplied by constant scaling factors for such molecules. The results of scaling were good and very close to the experimental and calculated values.The distribution of charges' density on units of construction atoms of (6,0) zigzag nanotube SWCNTs also were studied. The results were consistent with the physical and experimental conductivity properties for such calculated tubes , as the intensity of the electronic charge was concentrated on the outer circumferential edges of atoms C - Cc for the aromatic molecules as well as for nanotubes with its disappearing form outer side towards the middle side of multi - ring layers ( Mono , Di , Tri and Tetra ).

تحضير ودراسة مشتقات 2 - امينو - 5 - ثايول - 4,3,1 - ثايادايازول الجديدة == Study And Synthesis of New 2 - Amino - 5 - Thiol - 1,3,4 - Thiadiazole Derivatives

اسم المؤلف: هبه مشتاق احمد علي البدري

اسم المشرف: محمد مهدي صالح الدليمي

الموضوع العام: علوم الكيمياء

السنة: 2007

الموضوع الدقيق: الكيمياء التحليلية

الدرجة: ماجستير

الجامعة: جامعة بغداد

اللغة: العربية

مكان الجامعة: بغداد

الصفحات الاولى:

المستخلص: The project conducted in this research work was carried out from October 2013 to May 2014 which leads to this thesis. It full's into five chapters. All these chapters cover up the survey, the practical part of preparing,manufacturing and testing many designs that have been adopted during this research work, and the results were subjected into various mathematic and data treatment.Chapter One : discuses the light (first part) absorption process and describes FIA in general (second part), it is classification and fundamentally involved ideas , the uses and applications of FIA. Chapter one also reviews the use of Ceric sulfate (third part) as a reagent definition, properties, uses and the applications. This chapter ends with the aim of the project.Chapter Two : In this chapter a complete description of the chemicals, their preparations and, using them throughout this project. This chapter also describes the use of flow system with all it is components (i.e. peristaltic pump, connection tubes, junction(Y - junction), six ports injection valve, reaction coil, and measuring readout system).Chapter Three : consists of three parts. The first part describes the design of Ayah 3SBGRx3 - 3D solar cell CFIA microphotometer. The idea of the use with the application of new flow injection microphotometer was build up to measure the responses. Flow injection microphotometer was made based on the use of a solar silicon cells as a detectors, and LEDs as an irradiation sources.The second part deals with calculation of dilution factor. This study was carried out to evaluate the change in concentration at each location of the designed manifold system via the chasse of an air bubble.The third part deals with the analysis carried out in this research work.Three different phenolic compounds (Pyrocatechol, Resorcinol, and Pyrogallol) were subjected by Ceric sulfate as oxidizing agent. A comprehensive detailed study was carried out using Ayah 3SBGRx3 - 3D solar cell CFIA microphotometer, the linear range, limit of detection (L.O.D) and percentage relative standard deviation for repeatability were 5 - 40 mMol.L - 1 , 36.63 ng/sample and < 1.5% successively for Pyrocatechol, and 5 - 40 mMol.L - 1, 17.17 ng/sample, and < 0.7% respectively for Resorcinol. While 5 - 40 mMol.L - 1, 41.61 ng/sample, and < 2 % for Pyrogallol. The method was applied successfully for determination of the mentioned phenolic compounds in pure samples. A comparison was made between the newly developed method and the classical method (UV - Vis spectrophotometry) at wave length 492, 481, and 438 nm for Pyrocatechol, Resorcinol and pyrogallol espectively of analysis using the standard additions method via the use of aired t - test. The obtained results was treated mathematically, it was noticed hat there was no significant difference between two different methods for analysis of three different organic compounds; in addition to no significant difference in the contribution of the Pyrocatechol, Resorcinol and pyrogallol to the oxidation reaction path, at 95% confidence level.Chapter Four : deals with the analysis of two different drugs (first part : Amiloride, and second part Ciprofloxacin) carried out in this research work using Ceric sulfate as a oxidizing agent. A comprehensive detailed study was carried out by Ayah 3SBGRx3 - 3D solar cell CFIA microphotometer, the linear range, limit of detection (L.O.D) and percentage relative standard deviation for repeatability were 0.0005 - 10 mMol.L - 1, 9.471 ng/sample, and < 1.3% successively for Amiloride. 0.05 - 12 mMol.L - 1, 0.300 ?g/sample, and < 0.6%, for Ciprofloxacin. The method was applied successfully for determination of mentioned drugs in pharmaceuticals formulation. A comparison (forAmiloride ) was made between the newly developed method and the classical method (UV - Vis spectrophotometry at wave length 540nm) of analysis using the standard additions method via the use of paired t - test. It showed that there was no significant difference between the quoted value of each individual company with calculated t - value at 95% confidence interval from developed method, in addition to comparison between two methods and calculate tvalue, it was noticed that there was no significant differences between two methods at 99% but a significant difference at 95% confidence level. A comparison (for Ciprofloxacin) was made between the newly developed method and the classical method (UV - Vis spectrophotometry) at wave length 551nm of analysis using the standard additions method via the use of paired t - test. It showed that there was no significant difference between the quoted values of each individual company with calculated t - value at 95% confidence interval from developed method, in addition to comparison between two methods and calculate t - value, it was noticed that there was no significant difference between two methods at 95%.Chapter Five : This chapter concludes few interesting points based on the obtained results throughout this research work, such as Conclusions and future prospect, Published work, and references.

دراسة فيزيائية لتشخيص سطح البوكسايت والبوكسايت المعدل لامتزاز مادة التتراسيكلين عليهما عند درجات حرارة مختلفة == Physical Study of Bauxite And Modified Bauxite Surfaces Identification For Tetracycline Adsorption On Them At Different Temperatures

اسم المؤلف: اسراء محمد راضي

اسم المشرف: تقي الدين عبد الهادي حمدان

الموضوع العام: علوم الكيمياء

السنة: 2014

الموضوع الدقيق: الكيمياء

الدرجة: ماجستير

الجامعة: جامعة بغداد

اللغة: العربية

مكان الجامعة: بغداد

الصفحات الاولى:

المستخلص: تضمن البحث تحضير وتشخيص استرات وبوليمرات مختلفة جديدة عن طريق تحضير مركبات الكيلية اوروماتية حاملة لمجاميع الهيدروكسيل عن طريق مفاعلة الكليسيرول مع (الريسورسينول , الكاتيكول , الهايدروكوينون ) بشكل منفصل.تم اجراء دراسة نظرية لنواتج الالكلة وبعض نواتج ال | This research includes the synthesis and Identification of new esters and polymers via new alkyl Aromatic containing hydroxyl groups. These compounds was prepared by reacting of glycerol with (resorcinol, catechol, hydroquinone) separately.A theoretical study For the products of alkylation and Polymers was conducted and compared with results.This Work includes the following : - first step : - Alkylation of cyclic compounds (resorcinol, catechol, hydroquinone) with glycerol to produce.2 - (2,4 - dihydroxyphenyl)propane - 1,2,3triol (H1) 2 - (2,5 - dihydroxyphenyl)propane - 1,2,3triol (H2) 2 - (3,4 - dihydroxyphenyl)propane - 1,2,3triol (H3)The resulting compounds were Identified by different techniques (FT - infrared spectra IR, NMR spectrum magnetic (1H - NMR, 13C - NMR) and Elemental analysis (CHN).Some physical properties of these compounds were studied.Step Two : - This step in clndes the preparation of ester compounds (Es1 - Es6) via reacting (H1, H2, H3) with Dicarboxylic Acid (malonic, Succinic) The resulting compounds were identified by different techniques physical properties of these compounds were studied Step Three : - Compounds (H1,H2,H3)were polymerized to produce new polymers (p1 - p9) via reacting with anhydride (maleic , phallic and succinic) by melting reaction (200 - 250) C.These Polymers were studied and Identified by different chniqnes including (FT - infrared spectrum, DSC, DLS, and studying solubility in different organic solvents, and measuring the percentage of swelling.Step Four : - The theoretical simulation of alkylation reaction of compounds (resorcinol, hydroquinone and catechol) with glycerol in existence of silicate aluminum were condncted. The transitional situation of these reactants and estimated energy values that leads to the suggestion interactive pathways, where studied. The prepared compounds (H1, H2, H3) were found haning a low value of total energy ( - 390.240 , - 390.232, - 390.251kCal \ mol), respectively, The study also these compounds possass less ? gab values (1.515,1.23, 0.68ev) respectively which was calculated density function calculations of DFT (minimal - STO - 3G).The comparison between the theoretical and obtained values of these compounds were conducted.The theoretical simulation of polymerization reaction (H1, H2, H3) to produce the polymers (p1,p4,p7)were done.The third is the most possible be cause it has the lowest values of total energy( - 126.625, - 126.491 , - 125.814 kCal\mol), respectively, and also has the lowest ?gab values (8.31,7.03.7.088ev).Polymers (p1,p4,p7) are theoretical produced by ring closure reaction and reaction and the possible energy values of these reactants are ( - 222.444, - 222.443, - 190288.29 kCal \ mol) calculated by semi - empirical calculations PM3.in conclusion, these polymers are formed through condensation reaction but not cyclic closure reaction.

تحضير وتشخيص بعض المشتقات الجديدة للبنزايميدازول المعوضة == Synthesis And Characterization of Some New Substituted Benzimidazole Derivatives

اسم المؤلف: سحر ثامر عداي

اسم المشرف: عبد الامير مطلك فنجان

الموضوع العام: علوم الكيمياء

السنة: 2014

الموضوع الدقيق: الكيمياء التحليلية

الدرجة: ماجستير

الجامعة: جامعة بغداد

اللغة: الانكليزية

مكان الجامعة: بغداد

الصفحات الاولى:

المستخلص: The project conducted in this research work was carried out from December 2013 to June 2014 which leads to this thesis, which are in five chapters. All these chapters cover up the survey, the practical part of preparing, manufacturing and using Atomic force Microscopy that have been adopted during this research work, and the results were subjected into various internationally used mathematical and data treatments.Chapter OneDiscusses the acids, ion exchange, precipitation reaction, crystal growth theories, light scattering, turbidity and describe FIA in general, it is classification and fundamentally involved ideas without forgetting the use and applications of FIA. Chapter one also discusses derivative spectroscopy, definition, classification, the applications. This chapter ends with the aim of the project.Chapter Two : In this chapter a complete description of the chemicals and ion exchange column, their preparations and their use throughout this project. This chapter describes the use of flow system with all it is components (i.e. peristaltic pump, connection tubes, junction(Y - junction), six ports injection valve, ion exchange column and measuring readout system). Chapter Three : Consists of four parts The first part describes the design of Ayah 5SX1 - T - 1D Solar cell CFIA and deals with calculation of dispersion to evaluate the change in concentration ateach location of the designed manifold system via the chasse of an air bubble. The second part deals with the analysis carried out in this research work. Determination of oxonium ion (HClO4, HNO3, H2SO4 and HCl) via turbidity of solution of zinc (II) ion in cation exchange column - K3[Fe(CN)6] system. A comprehensive detailed study was carried out using Ayah 5SX1 - T - 1D Solar cell CFIA microphotometer. The linear range (10 - 100 mMol.L - 1), limit of detection (43.20, 57.14, 30.28, 30.97 ng/sample) for above mentioned acids and percentage of relative standard deviation < 2% for five successive measurement of 20 and 80 mMol.L - 1 for used acids. The method was applied successfully for determination of the mentioned oxonium ion in pure and commercial samples. A comparison was made between the newly developed method and the classical method pH meter using of paired t - test. It was noticed that there was no significant difference between two methods.The third part deals with the analysis carried out in this research work. Determination of oxonium ion (HClO4, HNO3, H2SO4, HCl) via turbidity of solution of copper (II) ion in cation exchange column - K3[Fe(CN)6] system. A comprehensive detailed study was carried out using Ayah 5SX1 - T - 1D Solar cell CFIA microphotometer. The linear range (10 - 100) mMol.L - 1, limit of detection (42.94, 39.14, 20.61, 26.11 ng/sample) for above mentioned acids and percentage of relative standard deviation < 2.5% for five successive measurement of 20 and 100 mMol.L - 1 for used. The method was applied successfully for determination of the mentioned oxonium ion in pure and commercial samples. A comparison was made between the newly developed method and the classical method pH meter using paired t - test. It was noticed that there was no significant difference between two methods.The fourth part deals with the approache that was used through linear array Ayah 5SX1 - T - 1D continuous flow injection analyzer to distinguish between the responses that were obtained i.e. discrimination between the kind signals that were completely different.Chapter FourDeals with studying topography and morphography of the Zn3[Fe(CN)6]2 and Cu3[Fe(CN)6]2 complexes using atomic force microscopy. Chapter Five : This chapter concludes few interesting points based on the obtained results throughout this research work, such as conclusions and future work, Published work, and references. -

دراسة التاكل والحماية من التاكل لسبائك من حديد الفولاذ في ماء البحر باستخدام دقائق اوكسيد الزركونيوم وكربيد السليكون واوكسيد الالمنيوم النانوية == Corrosion And Corrosion Protection Studies of Carbon Steel Alloy In Seawater Using; Zirconia, Silicon Carbide And Alumina Nanoparticles

اسم المؤلف: حيدر عبد الكريم يوسف

اسم المشرف: خلود عبد صالح السعدي

الموضوع العام: علوم الكيمياء

السنة: 2014

الموضوع الدقيق: الكيمياء الفيزيائية

الدرجة: ماجستير

الجامعة: جامعة بغداد

اللغة: الانكليزية

مكان الجامعة: بغداد

الصفحات الاولى:

المستخلص: يعتبر اوكسيد النحاسوز واحدا من المواد ذات الاستخدامات العلمية المتعددة الاغراض وذات الاهمية الصناعية الكبيرة ,ومنها استخدامه كمتحسس للغازات وفي العوامل المساعدة وكذلك في انتاج الواح الطاقة الشمسية ويدخل وبصورة كبيرة كمحطم للصبغات العضوية في مجال الكيمياء | Cuprous oxide (Cu2O) has been extensively studied because of its potential use in several electronic applications, which include solar cells and gas sensors. This Thesis is devoted to the synthesis, characterization of nano - structured cuprous oxide by using a simple electrochemical cell with a potassium chloride solution as an electrolyte, the electro cell contains a two high purity copper electrodes as a sheet form in different areas at varying sizes the area of the cathode was twice of the area of anode , the two electrodes zone were separated using a fine diameter silica diaphragm,Within this broad scope , the Thesis focuses on : • Production of different shape nano - crystals (Cu2O) and investigation of the correlation between experimental parameters and resulting microstructure.• Production of highly purity nano - crystalline Cu2O powder, with the estimation it’s by the available investigation instruments.• Study the different parameters, current density, bath temperature, KCl concentration , types of additives , time of precipitation, and there’s effects on the shape ,quantity ,surface roughness, powder color, on the Cu2O powder. Models have been proposed for the nano - crystal formation validated by several techniques uses such as X - ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM), and Fourier Transform Infra - Red spectroscopy (FTIR). The produced nanocrystals show good crystallinity with Cu2O purity and Copper oxide semiconductor nanoparticles were prepared by electrochemistry using galvanostatic and potentiostatic approaches. The optimum deposition conditions ( electrolyte composition , medium pH , type of additives, electrodes area ,current density , temperature of the electrolyte and applied potential of the cell) , to prepare the Cu2O nano particles have been identified; in particular the conditions that allow getting this product by using KCl ,(PVA ,SDS ,and glycerin as emulsifying agent) have been well identified for the first time. The configuration of deposited Cu2O , purity and amounts. These values depend on the electro deposition conditions such as the pH of the solution, the deposition potential and temperature. Where the study results showed that there is direct effect of these factors, it has been observed that the sizes of the precipitate crystalline decreased with increasing current density and especially at high bath temperatures its ranged about 10 - 20 nm , in addition to the effect of the percentage of additives emulsifier agents the best results at poly vinyl alcohol.. The X - ray diffraction pattern and 2? values reflect that the high purity of the deposit where obtained, without any of the other undesirable products like CuO, CuCl2 and CuCl. Also the FTIR analysis was considered. the effect of additives of the type of emulsifier on the crystalline form of the deposit, the PVA produced of the Star (Branches) crystals shape, the addition of the SDS compound leads to the form of the cubic , and the glycerin product the binary pyramid crystals shape.. Finally the conditions effect on the surface roughness of the precipitated powder also discussed. Depending of the electro - deposition conditions, different surface morphologies with various preferential crystal orientations were obtained for the temperatures of the electro - deposition of 80 °C , pH = 8 - 9 , The influence of several deposition parameters of the Cu2O, such as applied potential, pH, the temperature of the bath , the chemical composition, grain size and orientation parameters of the sample was systematically studied using X - Ray Diffraction , Atomic Force Microscopy, Transmission Electron Microscopy ,Fourier Transmission Infra - Red, and scanning electron microscopy.

دراسات ثرموداينميكية وحركية لفعالية مركبات متعدد الفينولات الطبيعية للوقاية من التسمم بالرصاص == Thermodynamic And Kinetic Studies On The Effectiveness of Nutritional Origin Poly Phenols In Lead Poisoning Protection

اسم المؤلف: نجدت رضا حميد علي الخفاجي

اسم المشرف: الهام مجيد الرفيعي

الموضوع العام: علوم الكيمياء

السنة: 2014

الموضوع الدقيق: الكيمياء

الدرجة: ماجستير

الجامعة: جامعة بغداد

اللغة: الانكليزية

مكان الجامعة: بغداد

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تاثير الصفائح النانوية على الخواص الفيزيائية والكهربائية لبعض المركبات البلورية السائلة == Effect of Nanosheets On The Physical And Electrical Properties of Some Liquid Crystalline Compounds

اسم المؤلف: الاء فاضل سليمان داود

اسم المشرف: عصام عبد الكريم عبد اللطيف | عمار هاني الدجيلي

الموضوع العام: علوم الكيمياء

السنة: 2014

الموضوع الدقيق: الكيمياء

الدرجة: ماجستير

الجامعة: جامعة بغداد

اللغة: الانكليزية

مكان الجامعة: بغداد

الصفحات الاولى:

المستخلص: هذه الاطروحة تمثل سلسلة من دراسات الكم من خلال التركيب الالكتروني للانظمة العضوية الفلزية. تتضمن نتائج الفصول خلاصة عمل تعود لكيمياء الروثينيوم (الفصل الثاني) واستخدام النظريات لتساعدنا على التشخيص التركيبي من خلال اجهزة الطيف الحاسوبية (الفصل الثالث والر | This thesis presents a series of quantum chemical studies into the electronic structure of organometallic systems. All of the results chapters are self - contained, summarising work related to Ruthenium chemistry (Chapter 2) and the use of theory to aid structural identification through computation of spectroscopic parameters (Chapters 3 and 4). Chapter 5 relates to distinct work done concerning to the Topological Analysis of the Electron Density in the dihydried Triruthenium Cluster, but the focus on the question of dihydried triruthenium motif represents a close link to the material covered in Chapters 3 and 4. In Chapter 2, Density Functional Theory (DFT) is used to probe the structures of triruthenium clusters Ru3(CO)12. The researcher shed light on the equilibrium geometries and the best function (PBE1PBE) and basis set (SDD Ru/ SVP on (C, O)) can be used. On the basis of that, the global minimum found for Ru3(CO)12 is an unbridged (1D3) structure. In Chapter 3, DFT with PBE1PBE functional and (SDD Ru/ IGLOIII, TZVP P, H/ SVP on (C, O)) basis sets have been used to identify structures of species observed in hydrogenation reactions of alkynes using catalysts based on Ru3 clusters. The identification of the hydride intermediates observed by NMR spectroscopy is ambiguous, and is generally based only on 1H NMR and JP - H coupling constants for hydrides attached to the ruthenium metal centres. Our calculations propose that the experimentally observed species A and B do not contain the Ru3(? - H)(H) motif, as proposed by Duckett group but have Ru3(? - H)2. In Chapter 4, these studies were extended to the analogous dihydride triruthenium monodentate and bidentate phosphines. By computing energies, 1H chemical shifts, we propose that the experimentally observed species A1 and B1 do not contain the Ru(µ - H)(H) motif, as proposed by Duckett and co - workers, but rather the dibridging Ru(µ - H)2 structures common to A2 and B2. In addition, the results confirm that our methodology is able to model the environment of a terminal hydride correctly.Finally, Chapter 5 describes the Quantum Aim (QTAIM) topological analysis of the electron density in the Picolyl N - Heterocyclic Carbene Triruthenium cluster [Ru3(? - H)2(?3 - ?3C2,NHCpyCH2ImMe)(CO)8] (3 - methylimidazol - 2 - ylidene). However, this cluster has been chosen since, firstly, has Ru3(? - H)2 motif similar to triruthenium core proposed in chapters 3 and 4 , secondly, this particular cluster contains one hydride - unbridged and two hydride bridged Ru - Ru edges and a face - capping ligands with different types of Ru - C and Ru - N bonds , this allowing interesting comparisons between the topological properties of related but different atom - atom interactions, within the same molecule.

دراسة نوعية مياه خزان الحبانية موقعيا والاستشعار عن بعد == Study of The Water Quality In Alhabbaniyah Reservoir In Situ And Remote Sensing

اسم المؤلف: احمد عطا الله حسن الفهداوي

اسم المشرف: عادل مشعان ربيع

الموضوع العام: علوم الحياة

السنة: 2014

الموضوع الدقيق: البيئة المائية

الدرجة: ماجستير

الجامعة: جامعة بغداد

اللغة: الانكليزية

مكان الجامعة: بغداد

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