FEDERAL UNIVERSITY OF RESOURCES EFFURUN

COLLEGE OF SCIENCE

DEPARTMENT

POSTGRADUATE CURRICULUM (M.Sc., Ph.D.)

2018/2019 ACADEMIC SESSION

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MASTER OF SCIENCE (M.Sc.) CHEMISTRY PHILOSOPHY The motives for taking on a postgraduate degree are sundry and usually driven by personal needs and desires. These include expanding knowledge of a specific subject, improving career progression, increasing the chances of getting a graduate job, a love of the subject and to enable lifestyle changes by raising salary. Having a passion for your subject is possibly the best reason to go into postgraduate education, as long as you have a sensible idea of where it might lead you professionally once you have finished. If you aspire to a career in academia, it is essential to start with a masters degree, and a strong interest in pursuing research would also be an asset. The M.Sc Chemistry programme of FUPRE is designed primarily as a training course in advanced work, expanding the knowledge of chemistry and improving career progression. The candidate learns the fundamentals of research in an area of Chemistry and acquires skills in new chemical techniques. The candidate must undertake an original investigation but this would normally be more limited in scope than for a Ph.D. Candidates develop mastery of appropriate methodology and learn the fundamentals of research.

AIMS/OBJECTIVES The specific objectives of the M.Sc. Chemistry programme are:  To prepare the students for higher education (Doctorate) in Chemistry.  To equip the students to perform functions that demand higher competence in the industry, academia, research and development (R&D), national/international organizations and Government agencies.  To train the students in scientific research.  To help the students find meaning in life by broadening their field of vision.

Learning outcomes The M.Sc. Chemistry candidates should have the following learning outcomes: Knowledge  extensive knowledge in the basic areas of chemistry (inorganic, organic, physical, analytical and industrial)  in-depth knowledge in at least one specialized field of chemistry  substantial research experience in his/her specialization of chemistry

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Skills  the ability to read, understand, use and communicate scientific information  acquire the expertise required to carry out independent research in her/his field of specialization.  become proficient in his/her specialized area and be ready for further scientific studies.  can accomplish research projects under guidance chemistry-related fields of science and technology.  can apply their knowledge in chemistry to solve problems in other natural sciences

RATIONALE/JUSTIFICATION Chemistry can save lives, create jobs, and change the world for the better. Chemistry is a wide occupational field that encompasses research and product development. manipulate chemicals to produce better products or create new ones. The chemical industry comprises the companies that produce industrial chemicals. Central to the modern world economy, it converts raw materials(oil, natural gas, air, water, metals, and minerals) into more than 70,000 different products. As a result, Chemists are increasingly in demand in many industries. FUPRE’s M.Sc. Chemistry graduates are prepared for careers in the chemical industry in such areas as petroleum, biotechnology, chemical analysis and fine chemicals; they also have improved career prospects in academics, government and business locally and abroad.

ACADEMIC STAFF INFORMATION S/N Names Qualifications Designation Area of Specialization 1. Prof. M. O. Edema B.Ed., M.Sc., Professor Organic/MedicinalChemistry Ph.D., 2. Prof. O. K. Abiola B.Sc., M.Sc., Professor Inorganic/Industrial Ph.D. Chemistry 3. Prof T. O. Egbuchunam B.Ed., M.Sc., Professor Materials Chemistry Ph.D., 4. Dr. K. A. Ibe B.Sc., M.Sc., Associate Analytical/ PhD. Professor 5. Dr. A. Ogunsipe B.Sc., M.Sc., Associate Physical Inorganic Ph.D. Professor Chemistry; 6. Dr. D. F. Ogeleka B.Sc., M.Sc., Associate Analytical / Environmental Ph.D. Professor Chemistry 7. Dr. W. Ivwurie B.Sc.(Ed), Senior Industrial Chemistry M.Sc., Ph.D. Lecturer

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ADMISSION REQUIREMENT

In addition to the relevant general regulations of the College of Post-graduate Studies, admission into the M.Sc Chemistry programme shall be subject to the followings:  B.Sc (Hons) in Chemistry, with a minimum of Second Class (Lower Division) from FUPRE or any other recognized University  P.G.D Petroleum Chemistry & Petrochemicals of FUPRE, or P.G.D Chemistry from a recognized University (with at least a Credit Pass).  Holders of B.Sc , , and & Technology, may also be considered  Candidates with at least a third class degree or HND and university PGD with CGPA of 3.0/.5.0 may be considered for admission into academic Master’s degree Programmes.  Notwithstanding the above conditions, candidates may be required to undergo a Departmental selection process.

COURSE CONTENT

The M.Sc. (Chemistry) programme has two components: i. Coursework - 24 units (minimum) . Compulsory courses CHM 801 – Advanced Applied - 4 units CHM 802 – Separation & Purification Techniques - 2 units . Core courses in an area of specialization - 6 units . Elective courses in the area of specialization - 6 units . Elective courses outside area of specialization - 6 units ii. Research project& Report (CHM 899) - 6 units Total - 30 units

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COURSES General Compulsory Courses Course Code Course Title No. of Units First Semester CHM 801 Advanced Applied Spectroscopy 4 CHM 802 Separation & Purification Techniques 2 Second Semester CHM 899 Research Project & Report 6

Analytical/ Option Course Code Course Title No. of Units Status First Semester CHM 811 Classical Methods of Chemical Analysis 3 C CHM 812 Environmental Chemistry & Chemical Pollution 3 C CHM 813 Electrochemical & Thermal methods 3 E CHM 814 Radioanalytical & Atomic Spectrometric Methods 3 E Second Semester CHM 821 Applied 3 E CHM 822 Quality Assurance/Control & Chemometrics 3 E CHM 823 Environmental Management 3 E CHM 824 Principles & Concept of Environmental Impact 3 E Assessment

Industrial Chemistry Option Course Code Course Title No. of Units Status First Semester CHM 835 Advanced Industrial Chemical Processes & 3 C Technology CHM 836 Advanced Mineral Processing & Chemical 3 C CHM 837 Advanced Heat & Mass Transfer 3 E CHM 838 Advanced Materials Chemistry 3 E CHM 839 Advanced Corrosion Chemistry 3 E Second Semester CHM 841 Homogeneous & Heterogeneous CHM 843 Fluid Mechanics & Separation Processes 3 E CHM 844 Reactor Technology 3 E CHM 845 Household & Industrial Chemicals 3 E CHM 846 Wood Chemistry & Pulping Science 3 E CHM 847 Brewery Science & Technology 3 E

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Inorganic Chemistry Option Course Code Course Title No. of Units Status First Semester CHM 831 Advanced 3 C CHM 832 Kinetics & Mechanisms of Inorganic Reactions 3 C CHM 833 Advanced 3 E CHM 834 Bio-inorganic Chemistry 3 E Second Semester CHM 841 Homogeneous & Heterogeneous Catalysis 3 E CHM 842 Solid State & 3 E

Organic Chemistry Option Course Code Course Title No. of Units Status First Semester CHM 851 Advanced Organic Synthetic Methods 3 C CHM 852 Natural Products & Biopolymers 3 C CHM 853 Advanced Heterocyclic Chemistry 3 E Second Semester CHM 861 Physical 3 E CHM 862 Organic 3 E CHM 863 & Drug Design 3 E

Petroleum Chemistry Option Course Code Course Title No. of Units Status First Semester CHM 854 Petrochemistry & Oil Refining 3 C CHM 855 Petroleum Geochemistry 3 C CHM 856 Petroleum Systems Analyses 3 E CHM 857 Advanced Petrochemical Science 3 E Second Semester CHM 864 Pollution in Petroleum Industries 3 E CHM 865 Geochemical Biomarkers 3 E CM 866 Petroleum in Marine Environment 3 E CHM 867 Organic Geochemistry 3 E

Physical Chemistry Option Course Code Course Title No. of Units Status First Semester CHM 871 Advanced 3 C CHM 881 Advanced 3 C CHM 873 3 E Second Semester CHM 872 Advanced 3 E CHM 882 & Group Theory 3 E CHM 883 3 E CHM 884 3 E 6

GRADUATION REQUIREMENT

To obtain an M.Sc. Chemistry, a candidate must i) Engage in a three-semester (maximum of five semesters) full-time studies ii) Pass a minimum of 24 units in coursework (comprising of 12 credit units of the core Chemistry courses and 12 credit unit of Electives. iii) Carry out research in a relevant area of specialization; present (at least) one seminar, and submit an acceptable thesis (6 credit units) which must be defended before a panel of external and internal examiners iv) Satisfy all other requirements as stipulated by the College of Post-graduate Studies The degree of M.Sc. Chemistry may be awarded in two categories:  Pass (GPA between 3.00 and 4.49)  Distinction (GPA of 4.50 and above)

COMPULSORY COURSES

CHM 801: Advanced Applied Spectroscopy 4 Units Principles & Theory, instrumentation and applications of: Resonance Spectroscopy (NMR & ESR); Rotational Spectroscopy (Microwave); Vibrational Spectroscopy (Infrared & Raman); Electronic Spectroscopy (UV-Vis & Fluorescence); Mass Spectroscopy; X-ray Spectroscopy

CHM 802: Separation & Purification Techniques 2 Units Solvent Extraction: Principle and techniques. Distribution ratio and distribution coefficient. Factors affecting extraction efficiency: association complexes, chelation, synergistic extraction, pH. Numericals based on multiple extractions. Role of chelating ligands, crown ethers, calixarenes and cryptands in solvent extraction. Introduction to Solid phase extraction (SPE) and Microwave assisted extraction (MAE). Applications. : Classification, Principles, Techniques and Applications; Electrophoresis.

CHM 899: Research Project & Report 6 Units A systematic investigation carried out on an approved advanced topic. Students shall submit a project research report, and shall be subjected to a viva voce examination.

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ANALYTICAL/ENVIRONMENTAL CHEMISTRY COURSES

CHM 811: Classical Methods of Chemical Analysis 3 Units Reaction chemistry of selected elements. Aqueous and non-aqueous acid-base titrimetry, redox titrimetry, complexometric , precipitation titrations. Gravimetry: - types, process, PFHS and contamination. Seminars on applications of classical techniques.

CHM 812: Environmental Chemistry & Chemical Pollution 3 Units Structure, terminologies and methods of investigation in environmental studies. The main sources, chemistry, sinks and methods of measurement of pollutants Chemical analysis: Procedure, preservation of sample, sampling characterization of waste water, analysis of DO, COD, BOD, Arsenic, Mercury, Chromium-hexavalent, Lead cyanide, total suspended solids. Land pollution: concepts of advanced waste treatment, pesticide residues, nuclear waste occurrence and disposal. Water pollution: types and qualities of effluents, biological effects of water pollution, biological wastewater treatment. Air pollution: Suspended particulate matter, aerosol, generation, hazards and control of SOx, NOx, COx, air monitoring equipments, health hazards associated with aeronomic pollutants, Air pollution problems in Nigeria and quality criteria

CHM 813: Electrochemical & Thermal Methods 3 Units Voltammetry and polarographic methods of analysis. Voltammetry and polarography, electrodes, polarographic principles, Ilkovic Equation, factors affecting on polarographic wave, pulse polarography, differential pulse polarography, square wave polarography, Voltammeric principle, cyclic Voltammetry, criteria of reversibility of electrochemical reactions, quasi-reversible and irreversible processes, qualitative and quantitative analysis by these techniques. Stripping Voltammetry: Adsorptive stripping Voltammetry and electrogravimetry. Coulometry: Instrumentations, coulometric titrations, advantages and limitations. Amperometry: Principle, Instrumentation, typical applications, amperometric titrations, chrono-amperometry and chrono- potentiometry. Introduction to different thermal methods, Thermogravimetry (TG and DTG), Static thermogravimetry, quasistatic thermogravimetry and dynamic thermogravimetry, Instrumentation-Balances, X-Y recorder, Stanton-Redcroft TG-750, Thermogram, Factors affecting thermogram, Applications of thermogravimetry, Differential Thermal Analysis (DTA)- Theories, DTA curves, Factors affecting DTA curve, Applications of DTA, simultaneous

8 determination in thermal analysis, Differential Scanning (DSC)- Introduction, Instrumentation, DSC curves, factors affecting DSC curves, applications, Thermogravimetric -Theory, Instrumentation and applications.

CHM 814: Radioanalytical & Atomic Spectrometric Methods 3 Units Radioactivity-Radiation-Units-Curie, Becquerel, Gray, Rad, Sievert, RBE, REM, Half life, mixed half life, branching decay, different types of radiations and their interactions with matter, radioactive equilibrium, Elementary principles of GM and proportional counters, Gamma Ray Spectrometer, calibration using standard sources, resolution, numericals. Preparation of some commonly used radioisotopes, Use of radioactive isotopes in analytical and physicochemical problems, Industrial applications, Neutron sources, Neutron Activation Analysis, Isotope Dilution Analysis, Radiometric titrations (Principle, Instrumentation, applications, merits and demerits), Radiochromatography, Carbon dating, Numericals based on above. Principles of AAS. Atomic energy levels. Grotrian diagrams. Population of energy levels. Instrumentation. Sources: Hollow cathode lamp and electrodeless discharge lamp, factors affecting spectral width. Atomizers: Flame atomizers, graphite rod and graphite furnace. Cold vapour and hydride generation techniques. Beam modulation. and sensitivity. Interferences and their removal. Comparison of AAS and flame emission spectrometry. Applications of AAS.

CHM 821: Applied Analytical Chemistry 3 Units Analysis of Pesticides and Fertilizers - Pesticides: General introduction, analysis of pesticides in general with reference to DDT, Dieldrin, Malathion, Parathion, BHC by different analytical methods such as titrimetric, colorimetric, chromatography and electroanalytical methods. Fertilizers: Sampling and sample preparation, determination of water, total nitrogen, urea, total phosphates, potassium, acid or base forming quality. - Introduction. Classification of poisons on the basis of physical states, mode of action and chemical properties with examples of each type. Methods of administration. Action of poisons in body. Factors affecting poisoning. Study of some common poisons used for suicide. Signs and symptoms of As, Pb, Hg and cyanide poisoning. Poisonous effects of kerosene and cooking gas. Analysis of petroleum and petroleum products - Introduction, determination of flash and fire point, Pensky Marten’s apparatus, cloud and pour point, aniline point, drop point, viscosity and viscosity index, Redwood and Saybolt viscometer, API specific gravity, water and sulphur in petroleum

9 products, carbon residue, corrosion stability, decomposition stability, emulsification, neutralization and saponification number. Analysis of alloys - Definition of alloy. Iron-carbon phase diagram. Types of steel: hypoeutectic, hypereutectic steels, mild steel, and stainless steel. Uses of steel. Composition and uses of brass, bronze and soldering alloy. Analysis of iron, nickel, chromium and manganese in steel. Analysis of copper in brass, zinc in bronze and lead in soldering alloy. Industrial applications of alloys.

CHM 822: Quality Assurance/Control & Chemometrics 3 Units Introduction to quality, Process control, TQM, Cost of quality, Quality of design, Probability, Supplier quality, Acceptance sampling, Quality, planning and improvement, Reliability, Frequencing distribution, Variable control charts. Statistics for measurement methods: reminders of Metrology (error types, quantification of error uncertainty, error propagation), variance components estimation by ANOVA, control charts, simple linear calibration. Experimental design in product and process development: Methodology, multiple regression and multiple response optimization, factorial designs and derivatives, screening designs, response surface designs, mixture designs and optimal designs. Multivariate statistical methods in chemistry: principal component analysis, partial least squares (PLS), clustering, discriminant analysis and its application to multivariate calibration in analytical chemistry.

CHM 823: Environmental Management 3 Units Measurement of environmental effects, solid waste water treatment, industrial waste water treatment, landfills, sources of hazardous wastes, effects, treatment and disposal. Waste reduction and minimization, water recycling, biodegradation and bioremediation, contaminated soil management,

CHM 824: Principles and Concept of Environmental Impact Assessment 3 Units Assessment, development and the environment. Guideline procedures, methods of application of Environmental Impact Assessment. Preparation of EIA reports

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INORGANIC/INDUSTRIAL CHEMISTRY COURSES

CHM 831: Advanced Inorganic Chemistry 3 Units Structures and Isomers of Coordination Complexes: Nomenclature, Isomerism, Coordination Numbers and Structures, Symmetry Considerations. Bonding in Coordination Complexes: Valence Bond Theory, Crystal Field Theory, Molecular- Orbital Theory. Electronic Spectra of Coordination Complexes: Ligand Field Theory – Origins of d-Orbital Splitting, Multielectron and Term Symbols, Selection Rules for Electronic Transitions, Orgel Diagrams, Tanabe-Sugano Diagrams, The Spectrochemical Series, Charge-Transfer Spectra. Periodicity, General properties of lanthanides and actinides; Comparison of spectral and magnetic properties of lanthanide and actinide complexes- separation of lanthanides – use of lanthanide compounds as shifting agents- The transactinide elements- Extraction details of cerium, thorium and uranium – Chemistry of their important compounds: Oxides, nitrates and sulfates. Transition metal complexes & catalysis: Introduction, General Principle; Catalysis by transition metal complexes; Hydrocarbons Oxidation by Molecular oxygen, olefin Oxidation, olefin polymerization, olefin hydrogenation; Arene reactions catalyzed by metal complexes; Catalysis of condensation polymerization reaction; Current and feature trend in catalysis. Applications of Coordination Complexes

CHM 832: Kinetics and Mechanisms of Inorganic Reaction 3 Units Reaction mechanisms of transition metal compounds: Structures, conformations and oxidation states; Ligand substitution reactions in square planar, octahedral and other geometries; Factors affecting the rate of substitution, nature of the ligands and metal in the complex; Oxidation/reduction reactions: Classification, outer spheres electron transfer theory, differentiation of inner and outer sphere mechanisms, bridging ligand effect in inner sphere reactions, intervalence electron transfer; The kinetics of trans and cis effect, trans effect of entering and leaving ligands, metal complexation, stereochemistry of the products; Mechanisms of selected inorganic reactions in the atmosphere; Drug synthesis and other industrial products. Photochemical reactions: Prompt and delayed reactions; d-d and charge-transfer reactions; transitions in metal- metal bonded systems.

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CHM 833: Advanced Organometallic Chemistry 3 Units Metallocenes, Electronic Structure and Bonding in Ferrocene, Synthesis and Physical and Spectroscopic properties of metallocenes, Reactions and Applications of Metallocenes. Multi decker sandwitch complexes. Applications of Metallocenes in polymers, non linear optics, medicines, molecular recognition, Catalysis. d- and f-block Organometallic Compounds - Bonding: Valence Electron Count; Oxidation numbers and formal ligand charges; d-block carbonyls: Carbon monoxide as a ligand, synthesis, structure, properties and reactions; Other organometallic Compounds: Hydrogen and open-chain hydrocarbon ligands, Cyclic polyene complexes, Reactivity of early d-metal and f- metalorganometallic compounds; Metal-metal bonding and metal clusters: Structure, Synthesis, Reactions. Catalysis by Organometallic Compounds - Homogeneous and heterogeneous organometallic catalysis- hydrogenation using Wilkinson catalyst, Tolman catalytic loops; -Reactions of carbon monoxide and hydrogen-the water gas shift reaction, the Fischer-Tropsch reaction(synthesis of gasoline); Hydroformylation of olefins using cobalt or rhodium catalyst. Polymerization by organometallic initiators and templates for chain propagation- Ziegler Natta catalysts; Carbonylation reactions-Monsanto acetic acid process, carbonylation of butadiene using

Co2(CO)8 catalyst in adipic ester synthesis; Olefin methathesis-synthesis gas based reactions, photodehydrogenation catalyst (“Platinum Pop”). Palladium catalysed oxidation of ethylene-the Wacker process. Organometallic Polymers - Polymers with organometallic moieties as pendant groups, polymers with organometallic moieties in the main chain, condensation polymers based on ferrocene and on rigid rod polyynes, polymers prepared by ring opening polymerization, organometallic dendrimers.

CHM 834: 3 Units Inorganic elements in biological systems, cells, biologically important compounds amino acids, proteins, nucleotides, carbohydrates and lipids, basic bioenergetics, classification of enzymes. Biochemistry: Distribution, biological roles, active transport of cations across membranes, the sodium pump, biology of calcium carriers, role in muscle contraction, enzyme stabilization, blood clotting and biological calcification. Metalloporphyrins: Structure and optical spectra; heme proteins: magnetic susceptibility, epr and electronic spectra; hemoglobin and myoglobin: molecular structures, thermodynamics and kinetics

12 of oxygenation, electronic and spatial structures, synthetic oxygen carriers, model systems; iron enzymes, peroxidase, catalase and cytochrome P-450. Metalloenzymes: Copper enzymes, superoxide dismutase, cytochrome oxidase and ceruloplasmin; Coenzymes; Molybdenum enzyme: xanthine oxidase; Zinc enzymes: carbonic anhydrase, carboxy peptidase and interchangeability of zinc and cobalt in enzymes; Vitamin B12 and B12 coenzymes; Iron storage, transport, biomineralization and siderophores, ferritin and transferrins.. Metals in Medicine: Metal deficiency and disease; toxicity of mercury, cadmium, lead, beryllium, selenium and arsenic; biological defense mechanisms; chelation therapy; metals used for diagnosis and chemotherapy, platinum complexes as anticancer drugs, Pt-DNA binding, complexes of gold, copper, zinc, mercury, arsenic and antimony as drugs.

CHM 835: Advanced Industrial Chemical Processes & Technology 3 Units Haber process - chemically binding gaseous nitrogen from the atmosphere to make ammonia; Smelting - chemically enhancing metals; Disinfection - chemical treatment to kill bacteria and viruses; Pyroprocessing - using heat to chemically combine materials, such as in cement. Chemical processing of minerals. Metallurgy and hydrometallurgical processes. Industrial electrochemistry. Manufacture of some heavy inorganic chemicals. Cement and binding minerals. Inorganic fertilizers. Raw materials, Technical and economic principles of processes and product routes. Flow diagrams. Selec

CHM 836: Advanced Mineral Processing & Chemical Metallurgy 3 Units Principles of extractive metallurgy. Fuel and ore preparation, iron smelting, alternative reduction processes for iron, industrial zinc processes. Matte smelting, iron – copper mattes, other mattes, industrial copper smelting, nickel smelting, ferroalloys, metallothermic reduction , halide metallurgy, hydrometallurgy, kinetics of leaching and precipitation,industrial applications. Refining processes, zone refining, vacuum refining and refining by metal – metal separation. Slagsand refractories. Blast – furnace type, refractories – oxide and non- refractories. Metallography: Specimen preparation, the reflected light microscope, defects of lenses, X- ray metallography, the Bragg law.

CHM 837: Advanced Heat and Mass Transfer 3 Units Differential equations for transfer processes and their applications; Thermal and concentration boundary layers; Diffusion in gases; liquids and solids; Two-film penetration theories of

13 interphase mass transfer; mass transfer with chemical reactions; interfacial phenomena and instability theories; Phase transformation, boiling concentration, crystallization. Heat transfer to multi-component fluid. Radiative heat transfer and applications in furnaces and solar energy collectors.

CHM 838: Advanced Materials Chemistry 3 Units Solid State Chemistry - (a) Electronic structure of solids and band theory, Fermi level, K Space and Brillouin Zones. (b) Structures of Compounds of the type : AB [nickel arsenide (NiAs)], AB2

[Fluorite (CaF2) and antifluorite structures, rutile (TiO2) structure and layer structure [cadmium chloride and iodide (CdCl2, CdI2)]. (c) Methods of preparation for inorganic solids: Ceramic method, precursor method, sol-gel method, microwave synthesis (discussion on principles, examples, merits and demerits are expected). Nanomaterials - (a) Preparative methods - Chemical methods: solvolthermal, microwave, coprecipitation, Langmuir Blodgett (L-B) method. Biological methods: synthesis using microorganisms. (b) Applications in the field of semiconductors and solar cells. (c) Quantum dots- preparation, characterization and applications. Nanoshells-types of systems, characterization and application. Evolving interfaces of nanotechnology-nanobiology, nanosensors, nanomedicines. Types of polymerization: classification, chain growth reactions (radical, ionic and Ziegler-Natta Polymerization) and step growth reactions (poly addition, reversible and irreversible polycondensation. Polymer Solution: Polymer Solubility and its thermodynamics, Composition of dissolved polymer chains, fractionation of polymers by solubility. Commercial polymers-: Polyenes; Preparation, properties and uses of poly-thene, polypropene, polyvinylchloride, polystyrene and polybutene. Effect of stereochemistry on the structure and properties of polymers. Polymer Rheology and Morphology:

CHM 839: Advanced Corrosion Chemistry 3 Units Corrosion and the environment: implications of corrosion, causes of corrosion. Theory of corrosion, mechanisms of corrosion, corrosion types and methods of minimizing corrosion. Kinetics of corrosion reactions: polarization, diffusion processes and the double layer, mixed potential theory, Three-electrode cells and E/lg I plots, hydrogen overpotential, polarization diagrams of corroding metals, influence of polarization on corrosion rate, calculation of corrosion rates from polarization data, anode – cathode area ratio, Electrochemical impedance spectroscopy. Thermodynamic of corrosion reactions: change in Gibbs free energy, measuring the Emf of a cell, 14 calculating the half –cell potential- the Nernst Equation, the hydrogen electrode and the standard hydrogen scale, the emf and Galvanic series, liquid junction potentials, reference electrode. Pourbaix diagrams: Basis of Pourbaix diagrams, Pourbaix diagrams for metals. Corrosion monitoring techniques and laboratory corrosion tests, corrosion, control methods. Chemical inhibitors for corrosion control. Chemical control of corrosive environments in the oil and gas industry. Cathodic protection in the oil and gas industries. Design of corrosion inhibitors for oilfield applications. Cathodic and anodic protection. Atmospheric corrosion. Corrosion at elevated temperature.

CHM 841: Homogeneous & Heterogeneous Catalysis 3 Units General principles of heterogeneous catalysis, Activity patterns, Efficiency of catalysts, Effects of temperature, Rates and kinetic models of catalytic reactions, Pulse microreactors, catalytic hydrogenation, olefin oxidation, carbonylation, oligomerisation and dimerisation, General methods of catalyst manufacture and quality evaluation, Trends in heterogeneous catalysis in the 21st century and beyond

CHM 842: Solid State and Nuclear Chemistry 3 Units Crystal Defects and Non-stiochiometry: Perfect and imperfect crystals, Electronic structure of solids—band theory intrinsic and extrinsic defects- point defects, line and plane defects, vacancies- Schottky defects and Frenkel defects, p-n junction. Thermodynamics of Schottky and Frenkel defects, colour centres, non-stiochiometric defects. Superconductors—Meissner effect, BCS theory. Solid State reactions and preparation of materials: General principle, types of reactions: Additive, structure sensitive, decomposition and phase transition reactions, kinetics of solid state reactions, factors affecting the reactivity of solid state reactions. Purification and crystal growth, zone refining, growth from solution, growth from melt and preparation of organic semiconductors for device applications. Elements of : Interaction of radiation with matter passage of neutrons through matter, interaction of  radiation with matter, units for measuring radiation absorption, radiation energy and radiation dosimetry- fricke dossmeter. Radiolysis of water, Radiolysis of some aqueous solutions. Radioactive decay and equilibrium. Nuclear Q – value – cross sections, types of reactions; fission and fusion; fission products and fission yields, Modes of radioactive decay: α- and β- decay, orbital electron capture, nuclear isomerism, internal conversion. Hot chemistry. Radioactive techniques, tracer technique, neutron activation analysis, counting techniques such as Geiger 15

Muller, ionization and proportional counters. Applications of nuclear science in agriculture and biology.

CHM 843: Fluid Mechanics and Separation Processes 3 Units Flow of compressible and incompressible fluids in pipes, nozzles and open channel; flow through packed and fluidized beds; Flow measurement; Review of dimensional analysis; Selection and sizing of pressure and vacuum producing devices: Pumps, compressors and ejectors; Mixing: Agitation, homogenization and dispersion; Use of model laws in scale up of mixing equipment; Motion of particles through fluids: Terminal settling velocity of particles under Stoke’s law; Intermediate and Newton’s range in free and hindered settling; Selection and sizing of pressure and vacuum filters; Application of membrane filtration in micro-filtration, reverse osmosis, dialysis, membrane distillation, gas permeation and use of liquid membranes; Application of nanotechnology in filtration; Advances in separation technology.

CHM 844: Reactor Technology 3 Units Overview and description of selected reactor types applied in industry, with main focus on fixed bed, fluidized bed, multiphase reactors, and stirred tank reactors. Discussion on the development of the underlying sub-models composing a reactor model: Chemical kinetics, thermodynamics, flow- and transport processes, and physical data. With basis in simple reactor model types, homogeneous and heterogeneous models will be developed for multiphase reactors. Further discussions on dynamics, non-ideal flow patterns, analysis based on residence time distribution functions, and population balance models.

CHM 845: Household and Industrial Chemicals 3 Units Soap and detergents: Raw materials required for soap; Manufacture of soap, batch process and continuious process; Cleaning action of soap; Classification of Soap. Classification of detergents, hydrophilic type and hyrophobic type ; structure of detergents; Anionic, Cationic, amphoteric, nonionic surfactants, sulphates and sulphonates; Finishing of detergents; Detergency, comparison of soap and detergents. Preparation of certain detergents like surf, phenol detergents, n-paraffins for petroleum detergents; Biodegradability and public concern. Rubbers, Elastomers and Fillers: Natural rubber position; Structure of natural rubber; natural rubber latex, Synthetic rubbers; Butadine rubber, radial polymerisation, SBR, NBR; Emulsion polymerisation Polyisoprene, CR, butyl rubber TPR, EPM, Polysulphide rubber; Polyurethanes,

16 polyurethanes elastomers, polyester-elastomer; Polyethers-urethanes; Silicon rubber, Fluoro carbon elastomers. Petroleum Coke & Carbon black: Petroleum coke, production and thoery; Methods of production, delayed coking, fluid coking, contact coking; Coking plants in India, comparison of various methods, physical properties of industrial carbons; Carbon black type, thermal black, channel black, farnace black, lamp black, Methods of productions, Wulff’s process, channel process, furnace process etc., Properties and uses of petroleum coke and carbon black. Fertilizers: Requisites of fertilizer, classifications of fertilizers, role of elements present in fertilizer; Manufacture of synthetic ammonia and phosphoric acid, wet process phosphoric acid, electric furnace phosphorus and phosphoric acid, kellog ammonia process. Detail study of following fertilizers. Ammonium nitrate, Ammonium sulfate, Ammonium phosphate, Urea, Calcium cyanamide, Normal superphosphates, Tripple super phosphate, Ammonium phosphates, Potassium sulphate.

CHM 846: Wood Chemistry and Pulping Science 3 Units Structure and chemical composition of wood; properties of wood chips; principle of wood chip delignification; chemical pulping methods: alkaline processes, acid processes and process variables in sulphite cooking. Semi-chemical and chemo-mechanical pulping process; pulping washing. Screening and cleaning of pulp. Oxygen deglinification, Bleaching of pulp; Drying of pulp.

CHM 847: Brewing Science and Technology 3 Units History of brewing; Fermentation; Alcohol politics (social effects and legal aspects); brewing of beer, wine, hot alcoholic beverages and quality control in brewing. Wine types, wine making, wine analysis, wine instability.

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ORGANIC/PETROLEUM CHEMISTRY COURSES

CHM 851: Advanced Organic Synthetic Methods 3 Units

Use of Boron, Silicon and Tin in organic synthesis; Transition metal complexes in organic synthesis: only Pd, Ni, Co, Pt, Fe, Rh, Ru; Grubb’s catalyst, Ziegler Natta catalyst; Enamines & Umpolung in Organic Synthesis; Nitrogen, Phosphorous and Sulphur Ylides in Organic synthesis; Protecting groups in Organic Synthesis: Hydroxyl, Carboxyl and aldehyde Functions as illustrated in the synthesis of polypeptide and polynucleotide. Solid phase peptide synthesis; Designing in Organic Synthesis: Retrosynthesis, disconnection, synthons, linear and convergent synthesis; Coupling Reactions and Process: Stills Coupling, Sonogashira reaction, Buchwald reaction, Pusond-Kahn Reaction, Suzuki Coupling, Mitsunobu reaction, Baylis-Hillman reaction, Mukiayama’s esterification, Metathesis reaction.

CHM 852: Natural Products and Biomolecules 3 Units Study of isolation, structure, stereochemistry, synthesis, biogenesis and biological properties of the following classes of natural products from plant, animal, and microbial sources and biopolymers. Acetogenins and shikimates; Microbial metabolites: Pencillin G, Cephalosphorin-Ö and streptomycin. Terpenes: Forskolin, taxol and azadirachtin. Alkaloids: Morphine, reserpine and vincristine. Plant pigments, vitamins and other natural products of pharmaceutical importance. Biopolymers. Methods for primary structure determination of peptides, proteins and nucleic acids. Replication of DNA. Flow of genetic information. Protein . Transcription and translation. Genetic code. Regulation of gene expression. DNA sequencing. The Human Genome Project. DNA profiling and the Polymerase Chain Reaction (PCR).

CHM 853: Advanced Heterocyclic Chemistry 3 Units Azoles: Structural and chemical properties; Synthesis of pyrazole, isothiazole and isoxazole; Synthesis of imidazoles, thiazoles and oxazoles; Nucleophilic and electrophilic substitutions; Ring cleavages Benzofused heterocycles: Synthesis of indole, benzofuran and benzo-thiophene, quinoline and isoquinoline Nucleophilic, electrophilic and radical substitutions; Addition reactions; Indole rings in biology.

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Diazines: Structural and chemical properties; Synthesis of pyridazines, pyrimidines, pyrazines; Nucleophilic and electrophilic substitutions. Non Aromatic Heterocycles: Strain – bond angle and torsional strains and their consequences in small ring heterocycles. Conformation of 6-membered heterocycles with reference to molecular geometry, barrier to ring inversion, pyramidal inversion and 1,3-diaxial interaction.

CHM 854: Petrochemistry and Oil Refining 3 Units Feedstocks, Nigerian oil and gas production, energy from fossil fuels. Oil refining, oil products, refinery design and selected processes, catalytic reforming and isomerization, hydrotreating and hydrocracking, catalytic , treatment of heavy oils, environmental concerns, new fuels. Examples of basic, intermediate and end products from petrochemistry. Natural gas and LPG as feedstock, synthesis gas production, preparation and use of hydrogen, methanol synthesis, Fischer– Tropsch, ammonia synthesis. Production of light olefins by steam-cracking, dehydrogenation and other routes, use of light olefins.

CHM 855: Petroleum Geochemistry 3 Units Composition: Paraffins, Cycloparaffins or Naphthenes, Aromatic Hydrocarbons, Olefin Hydrocarbons, Sulphur Compounds, Nitrogen Compounds, Oxygen Compounds, Organo4Metallic Hydrocarbons; H/C Ratio of Hydrocarbons; Kerogens: Formation, Composition and Digenesis. Classification of Crude Oils: Physical, Chemical and Genetic Classification of crude oil. Oil Fields Brines: Composition, Classification, Origin and alteration of Oil Field Brines; Importance of Oil Field water analysis, Effects of water circulation on Hydrocarbons Properties of Hydrocarbons: Density, Viscosity, Surface Tension, Color, Fluorescence, Cloud Point and Pour Point, Aniline Point, Optical Properties, Flash Point, Refractive Index and Calorific Value. Hydrocarbon Thermodynamics: Liquid Phase Behavior, Molecular Behavior; Changes in Phases with Changes in Pressure Temperature; Pure Hydrocarbons, Hydrocarbon Mixtures, Low Shrinkage4 Gas, High Shrinkage 4 Gas, Retrograde Condensate Gas, Wet and Dry Gas. Analytical Techniques: Quantitative and Qualitative Steps in Analysis of Petroleum; Analytical Methods in Geochemistry for Reservoir Rocks and Fluids;

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CHM 856: Petroleum Systems Analyses 3 Units Movement of fluids in the subsurface: fluid potential, pressure, density, buoyancy, capillary pressure, wettability. Key rock properties: porosity, permeability, capillary entry pressure. Petroleum secondary migration: mechanisms and efficiency. Geochemical prospect analysis, source volumetrics, thermal histories and thermal models, pore pressure, kinetics of petroleum generation and expulsion, kinetic models of petroleum generation and expulsion, migration, phase behaviour of petroleum, seal capacity, capillary pressure curves. Introduction to the analytical toolbox including (1) microscopic characterization of sedimentary organic matter, and (2) modelling of organic facies in time and space.

CHM 857: Advanced Petrochemical Science 3 Units Scenario of Petroleum, Gas and petrochemicals at national and International level with reference to demand organisations, installations and capacities, future prospects for development, and product pattern of various organisations. Origin, Classification and composition of crude oil and Petroleum gas. Basic chemical thermodynamics ; Physical properties of hydrocarbon fluids, phase behaviour of hydrocarbon systems; single component systems, P-V, T-V, P-T, Critical point and estimation of Vc, Tc and Pc; Two component system : Single phase, Volume - Composition, Compressibility - Composition, P-V, T-V; Two phase, system : P-V, P-T, Composite P-T diagram, Temperature - Composition diagram, and P-Composition diagram; Introduction to multicomponent system. Basic concepts of adsorption, types of adsorption, adsorption isotherms (Freundlich, Langmuir and BET), rate of adsorption and its variation with temperature, different adsorbents, their characteristics and utility in related processes. Feed stocks for Petrochemicals, Purification of gases (water, mechanical, chemical and other impurities), Survey of different processes for treatment with reference to chemicals involved, constituents removed, operating parameters and regeneration; utility of absorption, adsorption, compression, cryogenic and other special techniques for isolation of individual gases; Separation of aromatics.

CHM 861: Physical Organic Chemsitry 3 Units Structure-activity relationships: Free energy relationships. Quantitative estimation of electronic effects (Hammett, and Yukawa-Tsuno equations). Application to mechanisms. Sigma scales. Deviations to the Hammett equation. Physico-chemical methods for the

20 measurements of the sigma parameters. Steric effects (Taft equation). Applications on literature examples. 2-Influence of the reaction media in organic chemistry: Influence of the solvent in organic chemistry. Classification of the solvents and solvents scales. Ion effects (anionic activation and electrophilic assistance). Medium effect on the reaction kinetics. Hughes-Ingold rule. Solvatation effects on reactivity. 3-Stereoelectronic effects in organic chemistry: Orbital interaction rules. Geometric restriction of the orbital overlap. Stereolectronic effects on the conformations. Anomeric effect. Stereoelectronic effects on reactivity. Effects through chemical bonds and through space. Substitution of a saturated carbon atom. Baldwin rules. SN2 reaction.

Stabilisation effect on a SN2 transition state by a neighbouring group. Anchimeric assistance. 2 Cabocations and SN1 mechanism. Reaction on a sp carbon. Nucleophilic addition on a carbonyl group. Cram, Felkin-Ahn chelated Cram rules. Iminium cations and electrophilic . Intramolecular nucleophilic additions.

CHM 862: Organic Stereochemistry 3 Units Principles of stereochemistry: Configurational and conformational isomerism in acyclic and cyclic compounds; stereogenicity, stereoselectivity, enantioselectivity, diastereoselectivity and asymmetric induction. Asymmetric synthesis: Chiral auxiliaries, methods of asymmetric induction – substrate, reagent and catalyst controlled reactions; determination of enantiomeric and diastereomeric excess; enantio-discrimination. Resolution - optical and kinetic. Racemic modification and resolution of racemic mixture. Pericyclic reactions: Electrocyclic, Cycloaddition and Sigmatropic reactions and other related concerted reactions. Fused rings and bridged rings. Stereoisomerism of allenes, related compounds and biphenyls. Stereochemistry of Morphine, Quinine and Lactone Fusion in Enhydrin including principles of ORD, CD.

CHM 863: Medicinal Chemistry and Drug Design `3 Units Introduction to Drug design: modeling techniques, receptor proteins, drug-receptor interaction, drug action, drug selectivity, drug metabolism. Lipids: Introduction, classification and biological importance of fatty acids and lipids, of phospholipids and glycolipids.

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Structure, physical and chemical properties of the heterocyclic bases-adenine, guanine, cytosine, uracil and thiamine, chemical and enzymatic hydrolysis of nucleic acid, structure and function of DNA, RNA (m-RNA, t-RNA, r-RNA). Classification and nomenclature of drugs; Synthesis and application of Drugs from each of following class (At least four drugs): Antibiotics: Synthesis of Streptomycin, penicillins, cephalosporin-C, chloroamphenicol, tetramycin. Antidiabetics: Synthesis of Sequence of A- and B- chains of insulin, glibenclamide, metformin, ciglitazone. Antihistamines: Synthesis of Methapyrilene, chlorpheniramine. Antivirals: Synthesis of Acyclovir, amantidine, rimantidine and Zidovudine. Antineoplastic agents: Synthesis of mechlorethamine, cyclophosphamide, melaphan, uracil mustards and 6-mercaptopurine. Cardiovascular drugs: Synthesis of amyl nitrite, sorbitrate, diltiazem, quinidine, verapamil, methyldopa, atenolol and oxrprenol. Local Anti-infective agents: Synthesis of sulphonamides, furazolidone, nalidixic acid, ciprofloxacin, dapsone, aminosalicylic acid, isoniazide, ethionamide, ethambutal, fluconazole, econozole, griseofulvin. Psychoactive drugs: Synthesis of diazepam, oxazepam, chlorazepam, alprazolam, phenytoin, ethosuximide, trimethadione, barbiturates, thiopental sodium, gluethimide. Anticancer Drugs, Anti HIV Drugs, Antimalarial Drugs, Antihypertension Drugs.

CHM 864: Pollution in Petrochemical Industries 3 Units Fundamentals of Environment: Definition of environment and its segments, i,e, Hydrosphere, atmosphere, lithosphere and biosphere; Hydrosphere : Classification of water - sea water, surface water and ground water; chemical composition of sea water, surface water and ground water. Important characteristics of water used for drinking, irrigation and industry. Unique properties of water, Atmosphere : its composition and structure , the role of atmosphere in sustaining the life on the earth, photochemical reactions in the atmosphere with reference to NOx, SOx and hydrocarbons. Lithosphere : Definition, structure and composition of soil. Biosphere : Definition, its interaction with hydrosphere, atmosphere and lithosphere leading to environmental pollution. Different types of pollution, causes of pollution.

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Air pollution due to (Oil refinery) and petrochemical Industry: Classification of Air pollutants - primary & secondary pollutants, Types of pollutants and their sources in refineries - Hydrocarbons,

SO2, H2S, NOx, CO, NH3 & Aldehydes, Aromatics, particulate matters & smoke. Effects of these pollutants on human beings, plants and materials. Methods adopted by the refineries to control air pollution due to these pollutants. Monitoring techniques and methodology for the analysis of these air pollutants. Water Pollution due to Petrochemical Industry & Oil refinery: Different types of pollutants present in waste water produced in refineries and petrochemical complexes. Sources of waste water in refineries and petrochemical complex, characteristics of wastes from oil refineries and petrochemical industries; methods of characteristion, Treatment of refinery and petrochemical wastes. Different steps involved there in Physical, Chemical & Biological treatment process. Effect of water pollutants on human beings, plants and soil. Unpleasant Sensory Pollution: Odour nuisance, parameters to characterise odours; sources of odours of chemicals in specific operations and corrective action, odour control. Noise Pollution: Definition of noise. Sources of noise pollution in refineries. Noise level units, Effect of noise pollution on human beings, plants and materials. Measures adopted by refineries and petrochemical industries to control noise pollution. Nature of solid wastes from petrochemical Industry and refinery, Methods of their disposal, Hazardous wastes and their characteristics. Environmental audits, Environmental pollution acts - i.e. Water Pollution Act, Air Pollution ACt, Environmental Protection Act and Regulations.

CHM 865: Geochemical Biomarkers 3 Units Biomarkers and classes of biomarkers- isoprenoids, steroids, hopanoids, aromatic. Progenitors of biomarkers and biological origin. Biomarker analysis ; diagnostic ratios of biomarkers. Application of Biomarkers in paleo-environmental reconstruction, thermal maturity assessment, oil- oil and oil- source correlation, migration evaluation and degree of biodegradation.

CHM 866: Petroleum in Marine Environment 3 Units Waves and mixing, weathering processes, spreading and drifting, evaporation,, dissolution of oil, dispersion, photochemical oxidation, emulsification, adsorption onto suspended particulate materials, ingestion by organisms, sinking and sedimentation and shoreline interaction.

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CHM 867: Organic Geochemistry 3 Units Accumulation of organic materials; incorporation of organic matter in sediments; distribution of organic matter in space and time, role of organic matter in sediment formation and compaction. Isotope fractionation by living organic matter; isotope distribution in sediments

PHYSICAL CHEMISTRY COURSES

CHM 871: Advanced Chemical Kinetics 3 Units Introduction, potential energy surfaces, the kinetic theory of collision, relationship between critical energy and the activation energy, probability factor, activated complex theory, vibrational mode along the reaction coordinate, thermodynamic interpretation of the overall rate constant, application of activated complex therory, theories of unimolecular reactions, Lindermann theory, the [M]1/2 value of the unimolecular reactions, weaknesses of Lindermann theory, calculation of k1 value from Hinshelwood method k1H, the treatment of Rice-Ramsperger and Kassel, energized complex, Slater's treatment, Rice-Ramsperger-Kassel-Marcus theory. Liquid phase reactions, theory of diffusion-controlled reactions, the theory of absolute reaction rates, influence of solvent in liquid phase reactions, single and double sphere models, influence of ionic strength and pressure on reactions in solutions. Fast reactions: Kinetic studies of fast reactions by special techniques) chemical relaxation, perturbation, competition and flow methods) Chain reactions: the structure of chain reactions; Explosions; photochemical and photophysical kinetics, Stern-Volmer equations, flash photolysis. Catalysis and Oscillation: homogeneous catalysis; autocatalysis, oscillating reactions; chemical chaos

CHM 872: Advanced Electrochemistry 3 Units Conductance and conductivities of strong and weak electrolytes; Ion mobilities, drift speed, transport numbers; conductivity & ion-ion interactions; transport modes - migration, convection & diffusion; the diffusion equation . Processes at electrodes: the electrical double layer; rate of charge transfer; polarization. Electrolysis; fuel cells & secondary cells, corrosion (rate and inhibition). Nernst equation. Origin of EMF of a galvanic cell. Polarizable and non-polarizable electrodes, the electrocapillary curve, null point of metals and its determination. Thermodynamics of electrical double layer, Lipmann equation, measurement of surface excess. Models for the electrical double

24 layer. Electrode kinetics. The concept of over potential. Electrochemical reactions under mass transfer control, chronopotentiometry, voltammetry and polarography. Electrochemical reactions under charge transfer control, generalized Butler Volmer equation, determination of kinetic parameters. Mechanism and electrocatalysis of hydrogen and oxygen evolution reactions.

CHM 873: Biophysical Chemistry 3 Units Structure of water. Biological relevance of chemical potential. Hydrophobic and hydrophilic interactions in biological systems. Protein-Solvent Interactions – preferential binding, hydration and exclusion. Protein structure, stability, folding, unfolding and their studies with spectroscopic and calorimetric methods. Protein-Ligand Binding. Structure-Function relationships. Equilibria across membranes. Multiple equilibrium: Titration of proteins to evaluate net and total charge; Scatchard and Hill plots Folding-unfolding equilbrium and denaturation of proteins; Effect of temperature and solvent; conditions on the thermodynamics of protein folding-unfolding equilibrium; Kinetics of protein folding. Techniques for the study of Macromolecular Structure: Analytical Ultracentrifugation (Sedimentation velocity and equilibrium, determination of molecular weights); Micro calorimetry (DSC and ITC) and its application; Circular Dichroism spectroscopy; UV, visible and Fluorescence spectroscopy; X-ray Diffraction; Nuclear Magnetic Resonance (NMR);

CHM 881: Advanced Chemical Thermodynamics 3 Units Classical Thermodynamics: Exact and inexact differentials, condition of exactness, Pfaff differential expression, derivation of thermodynamic equation of state, extensive and intensive properties. Homogeneous functions of degree 0 and 1. Maxwell’s relations. Third law of thermodynamics, unattainability of absolute zero, calculation of entropy, residual entropy and its application. Varial equation, fugacity, determination of fugacity. Partial molar quantities: Determination of partial molar quantities, chemical potential, escaping tendency, partial molar volume, Gibbs Duhem equation, Gibbs Duhem Mergules equation, reaction potential, Extent of reaction. Statistical thermodynamics: Stirling Approximation, Maxwell Boltzmann, Bose Einestein, Fermi Dirac statistics, comparison between three statistics. Concepts of distribution, thermodynamic

25 probability and most probable distribution, ensemble averaging, postulates of ensemble averaging, canonical grand canonical and microcanonical ensembles,corresponding distribution laws using lagranges method of undetermined multipliers, ortho and para hydrogen, principle of equipartition of energy, calculation of average energy. Partition function, Translational partition function, rotational partition function, vibrational partition function, electronic partition function, applications of partition functons. Irreversible Thermodynamics: Thermodynamic criteria for non equilibrium states, Le Chatelier principle, Local equilibria,Thermodynamic criteria for non equilibrium states, generalized flux, forces, phenomenological laws, matter flow and current flow, entropy production and entropy flow for different irreversible reactions(e.g. heat flow, and electrochemical reactions), Saxen relations, reciprocity relations, coupled reactions- Onsager theorem of microscopic reversibility, irreversible thermodynamics of biological systems.

CHM 882: Quantum Chemistry and Group Theory 3 Units Born-Oppenheimer approximation, hydrogen ion, hydrogen molecule: valence bond and molecular orbital methods: Detailed calculations for energies and overlaps. Polyatomic and hybridisation. Conjugated pi-systems and Huckel theory, frontier orbital theory, configuration interaction. Hartree-Fock method, self-consistent field method and derivation of Hartree-Fock, Roothaan Equations. Polyatomic basis sets, Gaussian, double-zeta and polarized basis sets, population analysis and dipole moments. The Thomas-Fermi model of the atom. The metallic bond. Bloch theory, free electron and tight binding model. Effective crystal field Hamiltonian: Steven's equivalent operator method. Electric and magnetic properties of molecules. Introduction to multipole expansion, dipole moments, static polarizability and hyperpolarizability, magnetic susceptibility, vector functions and vector potential: shielding constants, spin-spin coupling and hyperfine interactions. The concept of groups, symmetry operations and symmetry elements in molecules, matrix representations of symmetry operations, point groups, irreducible representations and character tables. Great orthogonality theorem and its proof. Application of group theory to atomic orbitals in ligand fields, molecular orbitals, hybridization. Classification of normal vibrational modes, selection rules in vibrational and electronic spectroscopy. Woodward-Hoffmann rules.

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CHM 883: Photochemistry 3 Units I) Introduction to the theoretical basis of electronic spectroscopy, modern photochemistry and photophysics. II) Introduction to the theoretical models of the dynamics of light-induced electron transfer. Overview of photoredox processes taking place at the surface of solids and of current technological applications and most recent advances in the field.

CHM 884: Theoretical Chemistry 3 Units Introduction to Theoretical Chemistry and . Mathematical Review: Operator Algebra, Basic matrix algebra, Matrix diagonalization and eigenvalues. Review of Quantum Chemistry Basics: Quantum Phenomena, Wave character and wavefunctions (De Broglie's relation, Normalization, Orthogonalization), Quantum mechanical operators and Schrödinger's Equation, Noncommuting operators and the Heisenberg Uncertainty Principle, Particle in an infinite square-well potential, Quantum mechanical harmonic oscillator. Harmonic Motion Revisited: Hamilton's equations of motion, Classical harmonic, oscillator, Motion through several degrees of freedom and harmonic vibration of many particles, Classical normal mode analysis. Postulates of : Hermitian Operators. Multidimensional Problems and Degeneracy. Variation Theory. Perturbation Theory. Time Dependence and Transitions; Derivatives of Schrödinger's Equation. Angular Momentum: Operators, The rigid rotor, Spherical harmonics, coupling, Raising and lowering operators, Atomic term symbols. Vibrational- Rotational Spectroscopy of Diatomic Molecules: Basic treatment, Centrifugal distortion, Coupling, Vibrational, anharmonicity, Selection rules, Infrared spectra. Vibrational and Rotational Spectroscopy of Polyatomic Molecules: Rotational spectroscopy of linear molecules, Harmonic picture of polyatomic vibrations, Polyatomic vibrational spectra, Characteristic frequencies, Inversion and interconversion, Rotational states of nonlinear molecules. Molecular Electronic Structure: Born-Oppenheimer approximation, Potential energy surfaces, Molecular orbital picture / linear, combination of atomic orbitals, Slater-Condon rules, Self-consistent field, wavefunctions, Spectroscopic states (spin and symmetry), Electron correlation (Configuration Interaction, Many-body Perturbation Theory), UV-visible spectra of molecules. Computational Methods: Molecular mechanics, Molecular Orbital Theory (Semiempirical methods, Ab Initio methods).

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DOCTOR OF PHILOSOPHY IN CHEMISTRY

PHILOSOPHY

A Ph.D. is a chance to make an original contribution to science as an individual. The student will have a chance to learn about the basic principles underlying science, and put into practice all that theory that were learnt as undergraduates. The student carries out scientific research under the tutelage of an academic staff member, who is an expert in his/her area of specialization. The Doctoral degree in Chemistry is a recognition of successful research in that discipline. The candidate must make a distinct contribution to knowledge - of fact and/or in theory. The candidate's thesis summarizes the research and provides evidence for independent thought and critical analysis, effective communication and expert knowledge of the discipline in the international context.

AIMS/OBJECTIVES

The Doctor of Philosophy programme in Chemistry is designed to prepare candidates to undertake high level independent research work and participate in a wide range of research projects.The primary objective is the development of an individual's ability to perform original and creative scientific research, with emphasis on - Technical competency - Communication Skills - Analytical and/or Critical Thinking Skills - Expertise The specific objectives of the Programmes are to: - Train highly qualified manpower for advanced level teaching and research. - Develop the highest level of scholarship, research capability and creative thinking in the student’s area of specialization. - Apply their expertise in finding solutions to problems of the society. - Further the frontiers of knowledge in Chemistry.

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RATIONALE/JUSTIFICATION A Ph.D. degree, the terminal degree in the field of chemistry, provides a wide variety of career opportunities performing forefront research in areas as diverse as chemistry, materials research, renewable energy studies, the petroleum industry, the food industry, pharmaceuticals, and environmental studies, as well as many others. Furthermore, a Ph.D. degree is generally required to obtain a university faculty position to help educate the next generation of scientists.

ACADEMIC STAFF INFORMATION S/N Names Qualifications Designation Area of Specialization

1. Prof. M. O. Edema B.Ed, M.Sc., Professor Organic/MedicinalChemistry Ph.D.,

2. Prof. O. K. Abiola B.Sc., M.Sc., Professor Inorganic/Industrial PhD. Chemistry

3. Prof T. O. B.Ed., M.Sc., Professor Materials Chemistry Egbuchunam Ph.D.,

4. Dr. K. A. Ibe B.Sc., M.Sc., Associate Analytical/Geochemistry PhD. Professor

5. Dr. A. Ogunsipe B.Sc., M.Sc., Associate Physical Inorganic PhD Professor Chemistry;

6. Dr. D. F. Ogeleka B.Sc., M.Sc., Associate Analytical / Environmental PhD. Professor Chemistry

7. Dr. W. Ivwurie B.Sc.(Ed), Senior Industrial Chemistry M.Sc., Ph.D. Lecturer

ADMISSION REQUIREMENT  Candidates must possess an M.Sc. (Chemistry) degree with a CGPA of 4.0/5.0 and thesis score not lower than 60% (B).  Notwithstanding the above condition, candidates may be required to undergo a Departmental selection process.

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COURSE CONTENT The Ph.D. Chemistry programme consists of intensive research in a chosen field of Chemistry, culminating in four Research Seminars and a Thesis. Courses CHM 901 – Term Paper & Research Seminar I CHM 902 – Research Seminar II CHM 903 – Research Seminar III CHM 904 – Research Seminar IV CHM 901 – Term Paper & Research Seminar I - Term Paper on the theoretical principles and detailed literature survey around the research focus - Above to be presented in a Seminar CHM 902 – Research Seminar II - A conceptual framework of the candidate’s research proposal and methodology CHM 903 – Term Paper & Research Seminar III - A report of the preliminary research findings and the implications of the on-going research CHM 904 – Term Paper & Research Seminar IV - Seminar on the detailed analysis of the significance of the research findings, prior to the Ph.D thesis defense. COURSE WORK Candidates must pass at least 12 units in coursework. Code Course title No. of units 1st Semester CHM 911 Advanced Physicochemical Techniques 4 CHM 912 Instrumental Methods of Analysis 4 CHM 931 Advanced Chemistry of the Elements 4 CHM 932 Nanotechnology 4 CHM 951 Advanced 4 CHM 952 Drug discovery and Pharmacognosy 4 CHM 971 Advanced Kinetics and Electrochemistry 4 CHM 972 Advanced Photophysics 4

2nd Semester CHM 921 Advanced EIA and applications 4 CHM 922 Advanced Environmental Management 4 CHM 941 Advanced Physical Methods in Inorganic Chemistry 4 CHM 942 Material Deterioration and Recovery 4 CHM 961 Organo-Inorganic Chemistry 4 CHM 962 Recent trends in Petroleum Chemistry 4 CHM 981 Advanced Quantum Chemistry 4 CHM 982 Chemical Physics 4 30

GRADUATION REQUIREMENT To obtain a Ph.D in Chemistry, a candidate must i. Pass Seminar courses - CHM 901, CHM 902, CHM 903 and CHM 904 ii. Pass 12 units in coursework iii. Demonstrate ability for independent study in a thesis representing original research and creative scholarship iv. Undergo a final oral examination in which the thesis shall be defended as a valuable contribution to knowledge in his/her field, and demonstrate a mastery of his/her field of specialization v. Satisfy all other requirements as stipulated by the College of Post-graduate Studies

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