Syllabus: Engineering Chemistry (KAS-102T/202T)

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Syllabus: Engineering Chemistry (KAS-102T/202T)Syllabus (as prescribed by affiliating university, AKTU effective from Session 2020-21)KAS-102T/202T : Engineering Chemistry (L T P 3 1 0)Unit-I (8)Atomic And Molecular StructureMolecular orbital’s of diatomic molecules. Band theory of solids. Liquid crystals and its applications.Point defects in solids. Structure and applications of Graphite and Fullerenes. Concepts of nano-materialsand its applications.Unit-II (8)Spectroscopic Techniques And ApplicationsElementary ideas and simple applications of Rotational, Vibrational, Ultraviolet & Visible, and Ramanspectroscopy.Unit-III (8)ElectrochemistryNernst Equation and application, relation of EMF with thermodynamic functions ( H, F and S).Lead storage battery.Corrosion causes, effects and its prevention.Phase rule and its application to water system.Unit-IV (8)Water AnalysisHardness of water, Techniques of water softening (Lime- soda , Zeolite, Ion exchange resin and Reverseosmosis method).Fuels Classification of fuels, Analysis of Coal, Determination of Calorific values (bomb calorimeter &Dulong’s method),Unit-V (8)PolymerBasic concepts of polymer – blends and composites, Conducting and biodegradable polymers,Preparations and applications of some industrially important polymers (Buna-S, Buna-N, Neoprene,Nylon 6, Nylon 6, 6, and Terylene). General methods of synthesis of organometallic compound (GrignardReagent) and their applications.

Syllabus: Engineering Chemistry (KAS-102T/202T)Syllabus as per CO (effective from Session 2020-21)KAS-102T/202T: Engineering Chemistry (L T P 3 1 0)CO-1: On completion of this course student will be able to apply fundamental concepts of chemistry indifferent fields of Engineering.Unit-I (11)Atomic And Molecular StructureMolecular orbital’s of diatomic molecules. Band theory of solids. Liquid crystals and its applications.Point defects in solids. Structure and applications of Graphite and Fullerenes. Concepts of nano-materialsand its applications.CO-2: On completion of this course student will be able to identify compounds using differentspectroscopic techniques.Unit-II (10)Spectroscopic Techniques And ApplicationsElementary ideas and simple applications of Rotational, Vibrational, Ultraviolet & Visible, and Ramanspectroscopy.CO-3: On completion of this course student will be able to understand the basic principles ofelectrochemistry for different engineering applications.Unit-III (10)ElectrochemistryNernst Equation and application, relation of EMF with thermodynamic functions ( H, F and S).Lead storage battery.Corrosion causes, effects and its prevention.Phase rule and its application to water system.CO-4 : On completion of this course student will be able to illustrate different types of impurities inwater and its softening techniques.Unit-IV (16)Water AnalysisHardness of water, Techniques of water softening (Lime- soda , Zeolite, Ion exchange resin and Reverseosmosis method).Fuels Classification of fuels, Analysis of Coal, Determination of Calorific values (bomb calorimeter &Dulong’s method),

CO-5: On completion of this course student will be able to recall the basic knowledge of polymerization& and applicationsUnit-V (8)PolymersBasic concepts of polymer – blends and composites, Conducting and biodegradable polymers,Preparations and applications of some industrially important polymers (Buna-S, Buna-N, Neoprene,Nylon 6, Nylon 6, 6, and Terylene). General methods of synthesis of organometallic compound (GrignardReagent) and their applications.Text Books:1.2.3.4.5.6.7.University Chemistry By B.H.MahanUniversity Chemistry By C.N.R.RaoOrganic Chemistry By I.L. FinarPhysical Chemistry By S. GlasstoneEngineering Chemistry By S.S. DaraPolymer Chemistry By Fre W. BillmeyerEngineering Chemistry By Satya PrakashReference Books:1.2.3.4.Elementary Organic Spectroscopy By Y.R.SharmaPrinciples of Physical Chemistry By Puri, Sharma, PathaniaPrinciples of Inorganic Chemistry By Puri, Sharma, KaliaConcise Inorganic Chemistry By J.D.Lee

PROGRAM OUTCOMES ering knowledge: Ability to apply the knowledge of mathematics, science,engineering fundamentals and an engineering specialization to solve complex Engineeringproblems.Problem analysis: Ability to identify, formulate, research literature, and analyze complexEngineering problems reaching substantiated conclusions using first principles ofmathematics, natural sciences, and engineering sciences.Design/development of solutions: Ability to design solutions for complex engineeringproblems and design system components or processes that meet the specified needs withappropriate consideration for the public health and safety, and the cultural, societal, andenvironmental considerations.Conduct investigations of complex problems: Ability to design & perform experimentsof complex systems, analyze and interpret data to provide valid conclusions.Modern tool usage: Ability to create, select, and apply appropriate techniques, resources,and modern engineering and IT tools including prediction and modeling to complexengineering problems/ activities with an understanding of the limitations.The engineer and society: Ability to Apply reasoning informed by the contextualknowledge to assess societal, health, safety, legal, and cultural issues and the consequentresponsibilities relevant to the professional engineering practice.Environment and sustainability: Ability to understand the impact of the professionalengineering solutions in societal and environmental contexts, and demonstrate theknowledge of, and need for sustainable development.Ethics: Ability to understand, commit to and apply professional ethics, responsibilitiesand norms to engineering practice.Individual and team work: Ability to function effectively as an individual, and as amember or leader in diverse teams, in multidisciplinary settings.Communication: Ability to communicate effectively on complex engineering activitieswith the engineering community and with society at large, such as, being able tocomprehend and write effective reports and design documentation, make effectivepresentations, and give and receive clear instructions.Project management and finance: Ability to demonstrate knowledge and understandingof the engineering and management principles and apply these to one’s own work, as amember and leader in a team, to manage projects and in multidisciplinary environments.Life-long learning: Recognize the need for, and have the preparation and ability toengage in independent and life-long learning in the broadest context of technologicalchange.

Galgotias College of Engineering and Technology1, Knowledge Park II, Greater Noida – 201 306 (UP) IndiaDepartment of Applied ScienceCourse Outcomes (CO): Engineering Chemistry (KAS-102T/202T)Course Name: Chemistry (KAS-102T/202T), Year of study: 2020-21Course outcomeStatement (On completion of this course, the student will be able to - )KAS-102T/202T.1 Apply fundamental concepts of chemistry in different fields of Engineering. (K3)KAS-102T/202T.2 Identify compounds using different spectroscopic techniques. (K2)KAS-102T/202T.3Understand the basic principles of electrochemistry for different engineeringapplications. (K2)KAS-102T/202T.4 Illustrate different types of impurities in water and its softening techniques. (K3)KAS-102T/202T.5 Recall the basic knowledge of polymerization and its applications. (K1)

Galgotias College of Engineering and Technology1, Knowledge Park II, Greater Noida – 201 306 (UP) IndiaDepartment of Applied ScienceCO-PO MappingEngineering Chemistry (KAS-102T/202T)Year of study: 202T33332-2222--------222222---------------

UNIT ILECTURE – 1Molecular Orbital Theory (MOT) –IntroductionThe electronegative elements are capable of binding the electrons more strongly thereby lowering theirenergies as well. The molecular orbital theory is effective with the atomic orbitals that possess comparableenergy since a large difference in energy of atomic orbitals lead to the formation of ionic bond. TheMolecular orbital theory was given by Hund and Mulliken in 1932.The main ideas of this theory are: The two atomic orbitals that combine lose their identity to form new orbitals. Such newly formedorbitals are called molecular orbitals. The electrons of the molecule are filled in respective molecular orbitals similar as in atomic orbitals. A molecular orbital gives the electron probability distribution around more than one nuclei, similar tothat in atomic orbital that contributes to electron probability distribution around a single nucleus. Only those atomic orbitals can combine to form molecular orbital which have comparable energies andappropriate symmetry. The number of molecular orbitals that form after combination is always equal to the number ofcombining atomic orbitals. The combination of two atomic orbitals give rise to two new orbitals called bonding molecular orbitaland antibonding molecular orbital respectively. The bonding molecular orbital has lower energy and hence higher stability than the correspondingantibonding molecular orbital. The bonding molecular orbitals are represented by σ and π orbitals, whereas the antibonding molecularorbitals are represented by σ* and π* orbitals respectively. The filling of electrons in molecular orbitals takes place in accordance with Aufbau principle, Pauli'sexclusion principle as well as Hund's rule in the increasing order of energy of molecular orbitals.The stability of the molecule can be determined from the parameter called Bond Order. The bond order of amolecule is directly proportional to stability of molecule and hence the dissociation energy. The higher thestability of a molecule, the higher will be its dissociation energy. The bond order is calculated by assuming[1]

that two electrons in a bonding molecular orbital contribute one net bond and that two electrons in anantibonding molecular orbital cancel the effect of one bond. Bond order may be defined as half thedifference between number of electrons in bonding molecular orbitals and number of electrons inantibonding molecular orbitals.Bond Order 𝐍𝐮𝐦𝐛𝐞𝐫 𝐨𝐟 𝐞𝐥𝐞𝐜𝐭𝐫𝐨𝐧𝐬 𝐢𝐧 𝐛𝐨𝐧𝐝𝐢𝐧𝐠 𝐌𝐎 – 𝐍𝐮𝐦𝐛𝐞𝐫 𝐨𝐟 𝐞𝐥𝐞𝐜𝐭𝐫𝐨𝐧𝐬 𝐢𝐧 𝐚𝐧𝐭𝐢𝐛𝐨𝐧𝐝𝐢𝐧𝐠 𝐌𝐎𝟐 𝑵𝒃 – 𝑵𝒂𝟐The energy generally increases in the following order as:σ1s, σ*1s, σ2s, σ*2s, σ2pz, [ 2px 2py] [ *2px *2py], σ*2pzThe energy of 2px and 2py orbitals and *2px *2py are same and hence they are known as degenerateorbitals. The above mentioned configuration sequence of energy levels is not found to be correct for allmolecules when investigated through spectroscopic studies. This order of configuration is found to becorrect for heavier elements. However, in case of homonuclear diatomic molecules of second row ofperiodic table upto nitrogen (including H, Li, Be, B, C, N) the following order of configuration is followed:σ1s, σ*1s, σ2s, σ*2s, [ 2px 2py] σ2pz, [ *2px *2py], σ*2pz[2]

LECTURE - 2Application of Molecular orbital theory to Homodiatomic moleculesThe molecular orbital diagrams consist of atomic orbitals as well as molecular orbitals. The number ofmolecular orbitals is same as number of atomic orbitals represented in the diagram. Homoatomic means “ofthe same atom”— such a molecule contains only one type (same) of atom. Examples of homodiatomicmolecules are H₂, N₂, O₂, F₂, P₄, S₈, Cl₂, Br₂, I₂.Figure 1: Two 1s orbitals of two hydrogen atoms combine to form BMO and ABMO in hydrogen moleculeThe atomic orbitals of respective atoms are written on either side of the diagram at heights that denotestheir relative energies shown in Figure 1. The electrons present in each atomic orbital are represented byarrows. In the middle of the diagram, the molecular orbitals of the molecule that is getting formed arerepresented. Dashed lines connect the parent atomic orbitals with the daughter molecular orbitals as shownin molecular orbital diagram of oxygen and nitrogen respectively in figure 2.[3]

Figure 2: Molecular Orbital diagram of O2 and N2The bonding molecular orbitals are lower in energy than either of their parent atomic orbitals. On the otherhand, the antibonding molecular orbitals are higher in energy than either of its parent atomic orbitals.According to the law of conservation of energy the amount of stabilization of the molecule caused by thebonding orbital is equal to the amount of destabilization of the antibonding orbital, as shown in figure 3.Figure 3: An orbital correlation diagram for a hypothetical He-He molecule and He2 [4]

The orbital correlation diagram for diboron is not generally applicable for all homonuclear diatomicmolecules as shown in figure 4. It is only when the bond lengths are relatively short (as in B2, C2, and N2)that the two p-orbitals on the bonded atoms can efficiently overlap to form a strong bond.Figure 4: Orbital correlation diagram for diboron and difluorine[5]

LECTURE- 3Application of Molecular orbital theory to Heterodiatomic moleculesHeteroatomic molecules are those molecules that contain different atoms. Example: In HF (hydrogenfluoride) molecule hydrogen and fluorine are two different atoms due to which it is called as a heteroatomicmolecule.In HF molecule the electronegativity of hydrogen and fluorine is different and fluorine is moreelectronegative than hydrogen. Then electrons are more stable, i.e. lower in energy, when they are lonepairs on fluorine rather than on hydrogen. The orbitals of more electronegative element i.e. fluorine areplaced lower on the correlation diagram than those of hydrogen.Figure 5: Molecular orbital diagram for HFSince hydrogen only has one occupied valence orbital, only one bonding and one antibonding orbital arepossible. Furthermore, the electrons in orbitals on F that cannot bond with hydrogen are left on F as lonepairs. As seen in Figure 5, the electrons in the H-F bond are quite close in energy to fluorine's 2p orbitals.[6]

Then the bonding orbital is primarily composed of a fluorine 2p orbital, so the molecular orbital diagrampredicts that the bond should be polarized toward fluorine--exactly what is found by measuring the bonddipole.Figure 6: Orbital correlation diagram for CO and NO[7]

LECTURE -4Application of Molecular orbital theory to Heterodiatomic moleculesCN moleculeTotal number of electrons 6 7 13. The electronic configuration is as: σ1s2, σ*1s2, σ2s2, σ*2s2, [ 2px2 2py2] σ2pz1, [ *2px0 *2py0], σ*2pz0For CN molecule the configuration of lighter elements is followed as shown in figure 7.Atomic orbitalMolecular orbitalAtomic orbitalFigure 7: Molecular orbital diagram of CN molecule[8]

CO molecule:The electronic configuration of carbon atom is 1s²2s²2p² and oxygen atom is 1s²2s²2p⁴ . There are 4electrons in the outer shell of carbon and 6 electrons in the outer shell of oxygen. Thus, the total of 10 outerelectrons are to be accommodated in the molecular orbitals of CO molecule. Because of higherelectronegativity of oxygen, its atomic orbitals would be of lower than the corresponding atomic orbitals ofcarbon. Due to this energy difference, the bonding and antibonding molecular orbitals will receive differentcontributions from atomic orbitals of carbon and oxygen (Figure 8).Atomic orbitalMolecular orbital[9]Atomic orbital

Figure 8: Molecular orbital diagram of CO moleculeLECTURE-5Band theory of solidsIn metallic bonds delocalized electros are present in the valence shell of s and p orbitals. Thus, a "sea" ofelectrons is formed that surrounds the positively charged atomic nuclei of interacting metal ions. Theelectrons then move freely throughout the space between the atomic nuclei as shown in figure 9.Figure 9: Metallic Bonding: The Electron Sea ModelPositive atomic nuclei are surrounded by a sea of delocalized electrons (the dots) (Figure 4).The characteristics of metallic bonds explain a number of the unique properties of metals such as: Metals are good conductors of electricity because the electrons in the electron sea are free to flowand carry electric current. Metals are ductile and malleable because local bonds can be easily broken and reformed. Metals are lustrous. Light cannot penetrate their surface; the photons simply reflect off the metalsurface. However, there is an upper limit to the frequency of light at which the photons arereflected.According to the molecular orbital theory the overlapping of atomic orbitals lead to the formation ofmolecular orbitals. The electrons of a single isolated atom occupy atomic orbitals, which form a discrete setof energy levels. If several atoms are brought together into a molecule, their atomic orbitals split intoseparate molecular orbitals, each with a different energy. This produces a number of molecular orbitalsproportional to the number of valence electrons. When a large number of atoms (1020 or more) are brought[10]

together to form a solid, the number of orbitals becomes exceedingly large. Consequently, the difference inenergy between them becomes very small. Thus, in solids the levels form continuous bands of energyrather than the discrete energy levels of the atoms in isolation is present. However, some intervals of energycontain no orbitals, forming band gaps. The general idea of the formation of bands is shown in Figure 10that shows the overlapping of 3s valence atomic orbitals of sodium (Na) to form molecular orbitals in linearNan molecules (n 2, 3, 4.) of increasing size.Figure 10: The representation of band theory in sodium metalApplication of Band TheoryA. ConductorsMetals are conductors and do not possess any band gap between their valence and conduction bands.There is a continuous availability of electrons in these closely spaced orbitals. All conductors containelectrical charges, which will move when an electric potential difference (measured in volts) is appliedacross separate points on the material. This flow of charge (measured in amperes) is referred as electric[11]

current. In most materials, the direct current is proportional to the voltage if material remains in thesame shape and state.B. InsulatorsIn insulators, the band gap between the valence band the conduction band is so large that electrons cannotmake the energy jump from the valence band to the conduction band (figure 11).C. SemiconductorsSemiconductors have a small energy gap between the valence band and the conduction band. Electronscan make the jump up to the conduction band, but not with the same ease as they do in conductors.Figure 11: Conductors, Semiconductors and Insulators[12]

LECTURE - 6Point defects in solidsA defect is defined as any abnormality from the perfect atomic arrangement in a crystal. There are threetypes of point defects as:1. Stoichiometric defects2. Non-Stoichiometric defects3. Impurity defects1. Stoichiometric defects: In such defects the number of positive and negative ions is exactly in theratios indicated by their chemical formulae. These defects do not disturb the stoichiometry (the ratio ofnumbers of positive and negative ions) and hence, are called stoichiometric defects. Such defects are offollowing types:(a) Schottky defect: In this type of defect the number of cations that are missing from the crystallattice is equal to the number of anions missing from the lattice sites but the electrical neutralityis maintained as shown in Figure 12. This type of defect occurs in highly ionic compounds thatpossess high co-ordination number and cations and anions of similar sizes. e.g., NaCl, KCl,CsCl and KBr etc.AnionsOne pair of Anion & Cation ismissingCationsIdeal Arrangement ofCrystal[13]

Movement ofcationIdeal Arrangement ofCrystalFigure 12: Schottky defect(b) Frenkel defect: Frenkel defect arises when the ion moves out from the lattice site and occupiesan interstitial position but however, the crystal as a whole remains electrically neutral due t

1. Elementary Organic Spectroscopy By Y.R.Sharma 2. Principles of Physical Chemistry By Puri, Sharma, Pathania 3. Principles of Inorganic Chemistry By Puri, Sharma

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