University of San Carlos - Department of Chemical Engineering

Materials Science and Engineering

CHAPTER 1 The Structure of Materials Basic Concepts

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Materials Science
Involves the investigation of the relation between structure and properties of materials

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Materials Engineering
Involves designing or engineering the structure of materials on the basis of material structure-property relationship to produce a predetermined set of properties

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Structure
Relates to the arrangement of its internal components

Macroscopic Microscopic Atomic Subatomic

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Property
A material trait in terms of the kind and magnitude of response to a specific imposed stimulus Definitions are made independent of material shape and size mechanical
chemical electrical magnetic

dimensional

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Four components of materials science and engineering

Design Production Utilization

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Elements as building blocks for all materials

Matter Elements Organic substances Inorganic substances

Liquids
Fuels Chemicals Paints Oils Beverages

Solids

Gases

Liquids
Acids Water Bases Chemicals

Solids
Metals Ceramics Glasses Clays Cements Composites

Gases
Inert gases

Living organisms Fuels Chemicals Polymers Natural resins Food Soils Composites

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Atomic Structure
Electrons orbit around the central nucleus Planck postulated that energy is not emitted nor absorbed in a continuous manner, but rather in discrete pockets called quanta Motion of electrons:
Quantum mechanics Wave mechanics

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Bohrs Quantum Model of the Atom

Suggested in 1913 Electrons exist in stable circular orbits of fixed energy (quantized) ENERGY STATES/LEVEL Electrons can only emit or absorb energy when making a transition from one possible orbit to another QUANTUM JUMP
Orbital electron Nucleus

Electron is a particle moving in a discrete orbital.

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Simple atomic structure model

2eK L 7e2eK L 8e-

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Wave-mechanical model
electrons position is described by a probability distribution (electron cloud) Bohr energy levels separate into electron subshells
Electrons exhibit both wave-like and particle-like characteristics

Nucleus

Electron probability density

Defines the exact location of electrons in orbitals (energy level)

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Bohr and Wave-mechanical models

Comparison of the (a) Bohr and (b) Wavemechanical atom models in terms of electronic distribution

(a)

(b)

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Quantum Numbers
Principal quantum number (n): general energy levels of the electrons (in terms of distance from the nucleus); n is + integer; max. value: 2n2 Secondary quantum numbers (l): (angular momentum); defines the s s s p p shape of the electron subshell; values 0 to (n-1) Subshellsd

K L M N O s p d f s p d f g 0 1 2 3 4

s: spherical p: dumbbell-shaped d: clover in four cases or dumbbell-shaped in one

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Quantum Numbers
Third quantum number (ml): (magnetic moment); the orientation of an orbital; number of energy states in a subshell; values l to l including 0 Fourth quantum number (l): (spin momentum); motion (1/2down), (+1/2 up)
A moving electron will produce a magnetic field which is affected by external magnetic field

s 1

p 3

d 5

f 7

No. of energy states

In the absence of an external magnetic field, the states within each subshell are identical.

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Number of available electron states

Principal quantum number, n 1 Shell designation K Subshells Number of states 1 Number of electrons

s p s p d s p d f

1 3 1 3 5 1 3 5 7

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Electron configuration
Pauli Exclusion Principle No two electrons can have the same four quantum numbers!!!!
Each electron state can hold no more than two electrons, which must have opposite signs.

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Electron configuration
f Energy f d p s d p s d p s f d p s d p s

p s s 1 2

Principal quantum number, n

NOTES: 1) The smaller the principal quantum number, the lower the energy level. 2) Within each shell, the energy of a subshell level increases with the value of the (l) quantum number. 3) There may be overlap in energy of a state in one shell with states in an adjacent shell.

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Electron configuration
The manner by which states are occupied by electrons Aluminum (13): 1s22s2p63s2p1 Chromium (24): 1s22s2p63s2p63d54s1 Krypton (36): 1s22s2p63s2p63d54s2p6
Electrons fill up the lowest possible energy level first in the electron shells and subshells, two electrons per state.

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Electron configuration
GROUND STATE: all electrons occupy the lowest possible energies in accordance to Pauli exclusion principle. VALENCE ELECTRONS: electrons in the outermost filled shell; participate in interatomic bonding physical/chemical properties STABLE ELECTRON CONFIGURATION: outermost shells are fully filled (s & p states normally)

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The Periodic Table

Electropositive Electronegative

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Electronegativity Values for Elements

ELECTRONEGATIVITY the relative tendency of an atom to attract electrons

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Bonding
Primary bonds

Ionic

Covalent

Metallic

Secondary bonds

Permanent dipole (also as H bond)

London forces

Hydrogen

= attractive bond

X O = shared electrons

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Types Bonding
Primary bonds strong atom-to-atom attractions produced by changes in electron position of outer (valence) electrons Secondary bonds weaker than primary bonds and are formed when atoms or molecules are attracted by overall electric fields (dipoles), which often result from the transfer of electrons in the primary bonding

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Bond Strengths
Type of bond Intermolecular forces van der Waals (London, dipole-dipole) forces Hydrogen bonding Chemical bonding Ionic Covalent Metallic bonding Energy (kJ/mol)

0.1-10 10-40 50-1000 200-1000 50-1000

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Ionic bond
electrons are transferred from one metal to the nonmetal, creating ions that attract each other throughout the mass

M K L K L

2e8e-

0e- (ionized)

2e8e- (ionized)

= attractive bond

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Covalent bond
electrons are shared between atoms to produce a stable group of eight
L K K L

2e8e-

2e8e-

F2

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Metallic bond
the electrons are delocalized, or given up to form a common sea of electrons surrounding the positive ions
Electron cloud from valence electrons + + L Mg2+ ion cores 2e8e2eMagnesium atom
Sea of valence electrons

M K

+ +

+ +

+
Ion cores

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Metallic bond
Electron cloud valence electrons that are not bound to any particular atom in the solid and are more or less free to drift throughout the entire metal; shield the ion cores from mutually repulsive electrostatic forces and act as a glue that hold ion cores together Ion cores remaining non valence electrons and atomic nuclei form which has a net positive charge equal to that in magnitude to the total valence electron charges per atom

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Dipoles
+ + -

Atomic or molecular dipoles Van der Waals bonding between two dipoles
Atomic nucleus Electrically symmetric atom Electron cloud Induced dipole

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Dipole-dipole Forces
the arrangement of electrons and positive nuclei results in a positively charged field at one end and a negatively charged field at the other end; e.g., formation of a polar molecule of HCl Also called polar molecule-induced dipole bonds
H Cl

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London forces
attractions are formed when temporary dipoles are developed due to the motion of electrons; e.g., attraction between nonpolar molecules and single atoms of inert gases
Attraction between + and -

Ne

Ne

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Hydrogen bonds (Permanent dipole)

a special case of intermolecular attraction produced between certain covalently bonded hydrogen atoms and lone pairs of electrons of another atom; e.g., attraction between H atoms in water molecules, H is covalently bonded to F (HF) & to nitrogen (as in NH3)

Hydrogen bond

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Hydrogen bonding in H2O molecules

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Seatwork
1. Write the un-ionized and ionized shorthand electron notation for the following elements:
a. Cu b. Fe Cu+ and Cu2+ At. No. = 29 Fe2+ and Fe3+ At. No. = 26

Silica (SiO2) can be treated as either a covalently or ionically bonded material. Sketch the valence-electron configuration for silica both ways. Si = 14, O = 8 3. Despite the strength of the ionic bond, many materials with ionic bonds are not considered good engineering materials. Why not?

2.