Reaction Dynamics or Chemical Kinetics

▪ How fast a reaction can happen?

o Reaction can be so slow they take millions of
years!
o Or so fast they can not be controlled!

Time-scale: Fraction of Second Time-scale: Years

▪ Kinetics is one of the few ways of seeing the mechanism

of a reaction.
Some are practically impossible to observe!
Conversion of Diamond to Graphite
Time-scale: Longer than the lifetime of the universe

Carbon Allotropes
 Thermodynamics
▪ Concerns the energy difference
(ΔE) between the states.
▪ Determines the relative population
of the reactants and products after
the reaction is finished.
▪ The state with a lower energy is
likely to be more populated at
equilibrium.
Kinetics
▪ Concerns the energy barrier (Ea)
▪ Determines the rate of a reaction,

Thermodynamics and Kinetics are

two distinct areas in chemistry.
▪ ΔE and Ea are not related.
▪ Reaction can happen in both
A chemical reaction is determined by directions depending on the energy
thermodynamics and kinetics. barrier.
 Factors that affect reaction rates

▪ Physical state of the reactants

o Homogeneous reactions (reactants are in the same phase) are
often faster
o Heterogeneous reactions are faster if the surface area is increased
(fine powder reacts faster than a pellet or tablet).

▪ Reactions concentrations
o Increasing reactant concentration generally increases reaction rate.

▪ Reaction temperature
o Reactant rate generally increases with increased temperature.

▪ Presence of catalyst
o Catalysts are not consumed in reaction. They modify the reaction
pathway in a way that lowers the energy barrier.
Kinetics of a reaction can be represented on a graph
by monitoring a specific property that is characteristic of each
species.

o Is the compound a reactant or a product?

o Initial amount of compound?
o What is the final amount of the compound when the reaction is over?
o How fast is the decay/rise of the compound?
Kinetics of a reaction can be represented on a graph
by monitoring the amount of each species
 Definition of Reaction Rate

Rate is a change in concentration over a time:

Δ[𝑨]
Δ𝑡
o Δ means “change”
o [A] means the molar concentration of a chemical
species involved in a reaction (reactant or product)
o t represents time (sec., min., hour, day, etc.)
o “Rate” is always positive.
o Types of rates: Average rate, Instantaneous rate,
Initial rate.
Average Rate
Instantaneous Rate
Initial Rate
 The Rate Law
o Why do reaction rates change with time?
▪ Rates depend on the
concentration of reacting species.
▪ But concentration changes with
time, so the rate must also
change.
▪ Almost always gets slower.

The Rate Law

▪ Relates the Rate to reactant concentrations.

o k : Rate constants (k is always a lower case)

o [A], [B],…: Molar concentrations of reactants
o n, m,…: Reaction orders (typically integer)
o What is the overall reaction order?
n + m + …: sum of all exponents

o What is the reaction order for the individual species?

n for A, m for B, …: the exponent for each species

o What is the unit of the rate constant k?

The unit of k: s-1 (for 1st order); M-1s-1 (for 2nd order)
Units of Rate Constant (k)
 # Example
Calculate the reaction order?
Take the ratio of R2 to R1, then k is canceled out and n becomes
the only unknown.

By taking the logarithm on both sides of the equation:

 # Example

▪ Rate law?
▪ Rate constant?
▪ Rate when [NO] = 0.050 M and [H2] = 0.150 M
Step 1: Setting the rate law

Rate = k[A]m[B]n… = k[NO]m[H2]n

Step 2: Determining the reaction order for NO.

R1 = k[0.1]m[0.1]n = 1.23 X 10-3

R2 = k[0.2]m[0.1]n = 4.92 X 10-3

𝑅𝑎𝑡𝑒 2
Ratio = =
𝑅𝑎𝑡𝑒 1
Step 3: Determining the reaction order for H2.

Rate = k[A]m[B]n… = k[NO]m[H2]n

R1’ = k[0.1]m[0.1]n = 1.23 X 10-3

R2’ = k[0.1]m[0.2]n = 2.46 X 10-3

𝑅𝑎𝑡𝑒 2
Ratio = =
𝑅𝑎𝑡𝑒 1
(b) Rate constant
Rate = k [NO]2 [H2]1

Rate 1 = k [0.1]2 [0.1]1 = 1.23 X 10-3

k [0.1]3 = 1.23 X 10-3

k = 1.23
k = 1.23 M-2 · s-1
Unit of k
Rate = k [NO]2 [H2]1
M · s-1 = k · M2 · M1
k = M-2 · s-1
(c) Rate when [NO] = 0.050 M and [H2] = 0.150 M

Rate = k [NO]2 [H2]

= 1.23 M-2 s-1 (0.05 M)2 (0.150 M)

= 1.23 X (0.05)2 X 0.150 M s-1

= 4.61 X 10-4 M s-1

Unit of rate constant (k)

Rate of Reaction = k [A]x [B]y

mol L−1 s−1

k=
[mol L−1]x [mol L−1]y

mol L−1 s−1

k=
[mol L−1]x+y

mol L−1 s−1

k=
[mol L−1]n

k= [mol L-1]1-n s-1

Problem 1: Write average rate of reaction

4NH3 + 5O2 4NO + 6H2O

1 [ΔNH3] 1 [ΔO2]
Ave. Rate = - 4 [Δ𝑡] =- 5 [Δ𝑡]
1 [ΔNO] 1 [Δ𝐻2O]
= + 4 [Δ𝑡] =+ 6 [Δ𝑡]
Problem 2:
N2 + 3H2 2NH3
During the formation of NH3, 2 moles of N2 disappear in 1
minute. Find (i) average rate; (ii) rate of disappearance of
H2; (iii) rate of appearance of NH3.

Volume of vessel is 1 L.
 1 [ΔH2]
Rate of Reaction = -
3 [Δ𝑡]

1 1 [ΔH2]
30
= - 3 [Δ𝑡]

Rate of [ΔH2] 1
= mol L-1 s-1
disappearance of H2 [Δ𝑡] 10

1 [ΔNH3]
Rate of Reaction = +
2 [Δ𝑡]

Rate of appearance [ΔNH3] 1

= mol L-1 s-1
of NH3 [Δ𝑡] 15
Problem 3:
2N2O5 4NO2 + O2
If rate of appearance of NO2 is 2 mol L-1 s-1. Calculate (i)
average rate; (ii) rate of disappearance of N2O5.

Solution
[ΔNO2]
Rate of appearance of NO2 = = 2 mol L-1 s-1
[Δ𝑡]
1 [ΔNO2] 1
Average Rate = = X 2 mol L-1 s-1
4 [Δ𝑡] 4
1
= mol L-1 s-1
2
 1 [ΔN2O5]
Rate of Reaction = -
2 [Δ𝑡]

1 1 [ΔN2O5]
mol L s = -
-1 -1
2 2 [Δ𝑡]

[ΔN2O5]
= 1 mol L-1 s-1
[Δ𝑡]
Problem 4:
2A + 3B Products
Order of reaction with respect to A = 2
Order of reaction with respect to B = -1

▪ Write Rate Law expression.

▪ Calculate order of reaction.
▪ What is the effect on rate when:
o Concentration of A is doubled alone.
o Concentration of B is halved.
o Concentration of A & B both are doubled.
o Volume of container increases three times.
Solution

▪ Rate of Reaction = k [A]x [B]y

▪ Order = 2 – 1 = 1

▪ When concentration of A is doubled alone.

R1 = k [A]2 [B]-1
R2 = k [2A]2 [B]-1

𝑅2 k [2A]2 [B]−1
= = 4
𝑅1 k [A]2 [B]−1

R2 = 4 R1
▪ When concentration of B is halved.

R1 = k [A]2 [B]-1

R2 = k [A]2 [B/2]-1

𝑅2 k [A]2 [B/2]−1
= = 2
𝑅1 k [A]2 [B]−1

R2 = 2 R1
▪ When concentration of A & B both are doubled.

R1 = k [A]2 [B]-1

R2 = k [2A]2 [2B]-1

𝑅2 k [2A]2 [2B]−1
= = 2
𝑅1 k [A]2 [B]−1

R2 = 2 R1
▪ When volume of container increases three times.

R1 = k [A]2 [B]-1

R2 = k [A/3]2 [B/3]-1

𝑅2 k [A/3]2 [B/3]−1 1
= =
𝑅1 k [A]2 [B]−1 3
𝑅1
R2 =
3
Problem 4:
2A + B Products
When [A] is doubled then rate of reaction increases two times.
When [A] & [B] both doubled then rate of reaction increases eight times.

▪ Write Rate Law expression.

▪ Find order of a reaction.

Solution

2x = 21, therefore x = 1

2x+y = 23, therefore y = 2

 Rate Laws vs Integrated Rate Laws

To measure
concentration
versus time

Rate Law tells us how the rate changes as a function of

reactant concentration. But how do you predict the actual
amount of reactant or product at a given time?
We can integrate the differential rate equation to give a
relation between directly measured experimental data, i.e.,
concentrations at different times and rate constant.
 Integrated Rate Law of a First Order Reaction
𝑑[R]
Rate = - = k[R]
𝑑𝑡
Step 1. Separate [R] from t

Step 2. Integrate both sides Step 3. Rearrange the equation

Since
 Half-life of a First Order Reaction

The half-life of a first-order reaction depends only on the rate constant, while
independent of the initial reactant concentration.
 Integrated Rate Law of a First Order Reaction
𝑑[R]
Rate = - = k [R]2
𝑑𝑡
Step 1. Separate [R] from t

Step 2. Integrate both sides

Step 3. Rearrange the equation

Half-life of a Second Order Reaction

The half-life of a second-order reaction

depends on the initial reactant
concentration.
 Integrated Rate Law of a Zeroth-Order Reaction

Step 1. Separate [R] from t

Step 2. Integrate both sides

Step 3. Rearrange the equation

 Half-life of a Zeroth-Order Reaction

The half-life of a zeroth-order reaction depends on the initial reactant concentration

and rate constant.
Comparison of the Integrated Rate Laws
Linearization of the Integrated Rate Laws
 Collision Theory
Chemical reaction: Old bonds break, new ones form.
How do they do that?

▪ Molecules collide, more collisions, higher chance of

reaction.
▪ For successful reaction orientation of the molecules
matters.
▪ Collision must be hard enough, have enough energy to break
and rearrange the bonds.
Collision Theory: Arrhenius Theory
 Arrhenius Equation

Take natural log of both sides:

𝐸𝐴
−
ln k = ln (A. 𝑒 𝑅𝑇 )
 𝐸𝑎
−
ln k = ln A + ln (𝑒 𝑅𝑇 )

𝐸𝑎
ln k = ln A -
𝑅𝑇

# Arrhenius Equation (alternative linear form)

Subtract these equations.

Problem
The rate of a reaction increases by a factor of 16 when the
temperature is increased from 25 °C to 75 °C; what is the
activation energy for the reaction?

Solution
 Reaction Mechanism

The sequence of events that occur at the molecular

level to give rise to the overall chemical reaction.

▪ Can be a single step.

▪ Or a multitude of sequential steps.
▪ Each single step is a chemical reaction on its own,
called an elementary reaction.
 Definition of Rate-determining Step

▪ Most reactions are multi-step reactions.

▪ The overall rate of a multi-step reaction is most affected
by the slowest step. This slowest step is called the Rate-
Determining Step, which often defines the overall rate.
▪ It is the step with the highest activation energy.
 Since Step 1 is at an equilibrium, therefore

Now we have expression for [N2O2] in terms of the reactants. Now

coming back to the overall rate:
Steady-State Approximation
Comparison between the Pre-equilibrium
vs. Steady State Approximation
Predicting the rate law from the elementary reactions
Example:
The thermal decomposition of acetaldehyde

Given the following details:

(Initiation)

(Propagation)

(Propagation)

(Termination)
Solution:
Step 1

𝑑[𝐶𝐻4]
= k2 [•CH3] [CH3CHO]
𝑑𝑡
Step 2: By applying SSA

𝑑[• 𝐶𝐻3]
=0
𝑑𝑡

Formation of •CH3 = Consumption of •CH3

2
Step 3: By applying SSA to •CH2CHO

𝑑[• 𝐶𝐻2𝐶𝐻𝑂]
= 0
𝑑𝑡
Formation of •CH2CHO = Consumption of •CH2CHO

k2 [•CH3] [CH3CHO] = k3 [•CH2CHO]

k2
[•CH2CHO] = • CH3 [CH3CHO]
k3
Step 4: Substitution in Step 2
 k1
[•CH3]2 = [•CH3CHO]
2k4
1 1
k1
[•CH3] = [•CH3CHO] 2
2k4
2

Step 5: Substitution into Rate Expression from Step 1

𝑑[𝐶𝐻4]
= k2 [•CH3] [CH3CHO]
𝑑𝑡 1 1
k1
= k2 [•CH3CHO] 2 [CH3CHO]
2k4
2

3
𝑑[𝐶𝐻4]
= K [CH3CHO]2
𝑑𝑡 1
k1
where K = k2
2k4
2
 Lindemann Theory of Unimolecular
Mechanism
This theory explain how unimolecular reactions depend on
molecular collisions, especially at different pressures.

A typical unimolecular reaction,

A Products

Mechanism
Step 1. Activation by collision

A+ M A* + M
Here, M could be any third body, either A or inert gas.
Step 2. Decomposition

A* Products

Derivation of Rate Expression

Rate = k2 [A*]

Since A* is an intermediate, therefore apply the SSA

𝑑[𝐴 ∗]
=0
𝑑𝑡
Rate of formation of A* = Rate of consumption of A*
k1 [A] [M] = k-1 [A*] [M] + k2 [A*]

k1 [A] [M] = [A*] (k-1 [M] + k2)

k1 [A] [M]
[A*] =
(k-1 [M] + k2)
 Substitute the value of [A*] into rate expression

Rate = k2 [A*]

k1 [A] [M]
Rate = k2
(k−1 [M] + k2)

k1 k2 [A] [M]
Rate =
(k−1 [M] + k2)

At low pressure, k-1[M] << k2, therefore denominator becomes

nearly equal to k2.
k1 k2 [A] [M]
Rate =
k2
Rate ≈ k1 [A] [M]
 Rate ≈ k1 [A] [M]

Because [M] α P

Rate α [A] P
▪ Reaction behaves as second order.
▪ Rate depends on pressure

At high pressure, k-1[M] >> k2, therefore denominator

becomes nearly equal to k-1[M].

k1 k2 [A] [M]
Rate ≈
k−1 [M]

k1 k2 [A]
Rate ≈
k−1
 k1 k2 [A]
Rate ≈
k−1
Let
k1 k2
k≈
k−1

then

Rate = 𝑘 [𝐴]
▪ Reaction behaves as first order.
▪ Rate independent of pressure.

At low P, few collision occur thus activation limits rate.

While at high P, activation is rapid thus decomposition limits
rate.
PROBLEM:
Derive integrated rate equation for the given first-order reaction,
A B

𝑑[𝐵]
= k1 [A] – k-1 [B]
𝑑𝑡
Since the reaction is stoichiometric, 1:1

[A] + [B] = [A]0

Thus,
[A] = [A]0 - [B]
𝑑[𝐵]
= k1 ([A]0 - [B]) – k-1 [B]
𝑑𝑡
 𝑑[𝐵]
= k1 ([A]0 - [B]) – k-1 [B]
𝑑𝑡
= k1 [A]0 - k1 [B] – k-1 [B]
= k1 [A]0 – (k1 + k-1) [B]

𝑑[𝐵]
+ (k1 + k-1) [B] = k1 [A]0
𝑑𝑡
At equilibrium,
𝑑[𝐵]
= k1 [A]0 – (k1 + k-1) [B] = 0
𝑑𝑡
So,
k1 [A]0 – (k1 + k-1) [B]e = 0
 k1 [A]0 = (k1 + k-1) [B]e

k1 [A]0
[B]e =
(k1 + k-1)
Now subtract equilibrium concentration,
𝑑[𝐵]
= k1 [A]0 – (k1 + k-1) [B]
𝑑𝑡
= (k1 + k-1) [B]e – (k1 + k-1) [B]
= - (k1 + k-1) ([B] - [B]e )
𝑑[𝐵]
= - (k1 + k-1) dt
[B] - [B]e
 𝑑[𝐵]
= - (k1 + k-1) dt
[B] - [B]e
Integrate the given equation,

𝑑[𝐵]
න = - (k1 + k-1) ‫ ׬‬dt
[B] − [B]e

ln [B] – [B]e = - (k1 + k-1)t +𝐶

At t = 0, assume initially only A is present
[B] = 0
ln (0 – [B]e) = C
ln [B]e = C
ln [B] – [B]e = - (k1 + k-1)t + ln [B]e

[B]e
ln = (k1 + k-1)t
[B]e -[B]
or

[B] = [B]e (1- 𝑒 − (k1 + k-1)t )

PROBLEM:
Calculate the weight and volume of air needed for complete
combustion of 4 kg of coal sample containing 70% carbon, 10%
hydrogen, 10% nitrogen and rest oxygen.

Solution
70% Carbon = 2.8 kg
10% Hydrogen = 0.4 kg
10% Nitrogen = 0.4 kg
10% Oxygen = 0.4 kg

# Oxygen required for carbon combustion

C + O2 CO2
12 kg C requires 32 kg of O2
32
O2 required for 2.8 kg C = 2.8 x = 7.47 𝑘𝑔
12
# Oxygen required for hydrogen combustion
2H2 + O2 2H2O

Since 4 kg H requires 32 kg of O2, therefore

1 kg H requires 8 kg O2

O2 required for 0.4 kg H = 0.4 x 8 = 3.2 𝑘𝑔

# Total oxygen required = 10.67kg,

but coal already contains 0.4 kg oxygen therefore

the net oxygen = 10.67 – 0.40 = 10.27 kg

# Weight of Air Required
Air contains 23% oxygen by weight,

10.27
Air Required = = 44.6 𝑘𝑔
0.23

# Volume of Air Required

10.27
kmol of O2 = = 0.321 𝑘𝑚𝑜𝑙
32

Air contains 21% oxygen by volume,

0.321
kmol of O2 = = 1.53 𝑘𝑚𝑜𝑙
0.21
 0.321
kmol of O2 = = 1.53 𝑘𝑚𝑜𝑙
0.21
At NTP,
kmol of gas = 22.4 m3

Volume of Air = 1.53 x 22.4 m3 = 34.3 m3

PROBLEM:
In a II order reaction, the initial concentration of the reactant is
0.2 mol/L. The reaction is found to be 30% complete in 50
minutes. Calculate (i) Rate constant; and (ii) time required to
complete 75% of the reaction.

Solution

Given, [A]0 = 0.2 mol L-1

Since 30% reaction completed in 50 minutes, thus

amount reacted = 30% of 0.2
= 0.03 x 0.2
= 0.06
Remaining concentration after 50 minutes:

[A] = 0.2 – 0.06 = 0.14 mol L-1

1 1
= + 𝑘 (50)
0.14 0.2
7.1420 = 5 + 50 k

50 k = 2.1429
2.1429 −1 −1
k= = 0.04286 𝐿 𝑚𝑜𝑙 𝑚𝑖𝑛
50
−𝟐 −𝟏 −𝟏
k = 𝟒. 𝟐𝟗 𝑿 𝟏𝟎 𝑳 𝒎𝒐𝒍 𝒎𝒊𝒏
Time required for 75% completion

Amount reacted = 0.75 x 0.2 = 0.15

Remaining concentration:

[A] = 0.2 – 0.15 = 0.05

Using second-order equation:

1 1
= +𝑘𝑡
0.05 0.2
20 = 5 + (0.04286) t
15 = (0.04286) t
15
t= ≈ 𝟑𝟓𝟎 𝒎𝒊𝒏𝒖𝒕𝒆𝒔
0.04286
 Nano-chemistry

1 nm = 10-6 millimeter (mm) = 10-9 meter (m)

1 nm = 10 Angstrom
 Nanoscience
A discipline concerning with making, manipulating and imaging
materials having at least one spatial dimension in the size
range 1–100 nm.

Cross section of human hair

85
 What’s the BIG deal about something so small ?

▪ Materials behave differently at this size scale.

▪ It’s not just about miniaturization, at this scale, it’s all about
INTERFACES.
 Effects of Nano size

• Properties depends on size,

composition and morphology.
• Nano size increases the
surface area, therefore
physiochemical properties; like
surface energy (higher),
electronic properties, optical
band gap, electrical
conductivity, catalytic activity &
chemical reactivity, thermal &
mechanical stabilities.
• Different melting and phase
transition temperatures.

▪ Various sizes of CdSe nanoparticles and their

solution (up) and solid (down).
▪ The bulk, micro size particles, CdSe is black.
87
 Wet Chemical Synthesis
Wet chemical synthesis refers to a group of methods where chemical reactions occur
in liquid solutions (in water or organic solvents) to produce desired materials. It is
widely used in chemistry and materials science because it is relatively simple, cost-
effective, and scalable.

In this approach
▪ Reactants are dissolved in a solvent.
▪ Controlled chemical reactions (such as precipitation, reduction, or hydrolysis)
occur.
▪ The product forms as a solid (often as particles) that can be filtered, washed, and
dried.

Common wet chemical techniques include

▪ Chemical precipitation method
▪ Sol–gel process
▪ Hydrothermal synthesis
▪ Co-precipitation
▪ Chemical reduction

Wet chemical synthesis allows good control over composition, purity, and particle size
by adjusting parameters such as temperature, pH, concentration, and reaction time.
 Chemical Precipitation Method
…a widely used wet chemical technique for synthesizing
inorganic materials and nanoparticles. It is based on the
formation of a solid (precipitate) from a homogeneous solution
when the concentration of reacting ions exceeds the solubility
limit of the product.

Synthesis of Silver Chloride (AgCl)

When aqueous silver nitrate reacts with sodium chloride:

𝐴𝑔𝑁𝑂3(𝑎𝑞) + 𝑁𝑎𝐶𝑙(𝑎𝑞) → 𝐴𝑔𝐶𝑙(𝑠) + 𝑁𝑎𝑁𝑂3(𝑎𝑞)

Silver chloride forms as a white precipitate because it is

insoluble in water.
Procedure

▪ Prepare aqueous solutions of silver nitrate and sodium

chloride.
▪ Slowly add sodium chloride solution to silver nitrate under
stirring.
▪ A white precipitate of AgCl forms immediately.
▪ The precipitate is filtered, washed, and dried.
 Sol-Gel Method
A widely used chemical synthesis technique for producing
nanoparticles and advanced materials, particularly metal
oxides. It involves the transformation of small molecular
precursors (usually metal alkoxides or metal salts) from a liquid
solution (sol) into a solid three-dimensional network (gel).

Classic sol-gel reaction scheme

91
 Hydrothermal Method
…a wet chemical method used to grow crystals or synthesize
materials in an autoclave at elevated temperature and pressure
in an aqueous solution. The term hydrothermal refers to
chemical reactions occurring in hot water under high-pressure
conditions.
This method mimics natural geological processes where
minerals form deep inside the Earth.

Principle
When water is heated above its boiling point in a closed container-
▪ Pressure increases automatically.
▪ The solubility of many inorganic substances increases.
▪ Controlled nucleation and crystal growth occur.

Under these conditions, materials that are insoluble at room temperature

can dissolve and recrystallize as well-defined crystals or nanoparticles.
 Co-precipitation Method
…a widely used wet chemical synthesis technique in which two
or more soluble metal salts react in a solution to form an
insoluble solid (precipitate) simultaneously. It is especially
popular for synthesizing nanoparticles, mixed metal oxides,
ferrites, and hydroxides.

Principle
When solutions containing different metal ions are mixed, and a
precipitating agent (like NaOH, or NH₄OH) is added, the metal
ions react together and form an insoluble compound. Because
the ions precipitate at the same time, a uniform composition can
be achieved at the atomic level. The general reaction is:

𝑀𝑛+ + 𝑂𝐻− → 𝑀(𝑂𝐻)𝑛

 Chemical Reduction Method
…a widely used wet chemical technique for synthesizing metal
nanoparticles. In this method, a metal salt (metal precursor) in
solution is reduced to its metallic form using a suitable reducing
agent. The reduced metal atoms nucleate and grow into
nanoparticles.

Principle
▪ Dissolution of metal precursor. A metal salt is dissolved in
a solvent (usually water).
▪ Addition of reducing agent. A reducing agent (NaBH4,
citrate, hydrazine) donates electrons to metal ions.
▪ Nucleation and growth. Reduced metal atoms aggregate to
form nuclei, which grow into nanoparticles.
▪ Stabilization. Capping or stabilizing agents (polymers,
surfactants) prevent aggregation and control particle size.
Techniques to Characterize Nanomaterials

▪ Scanning Tunneling Microscope (STM)

▪ Atomic Force Microscope (AFM)
▪ Scanning Electron Microscopy (SEM)
▪ Transmission Electron Microscopy (TEM)
▪ X-ray Diffraction (XRD)

95
 The Bragg’s Equation

Bragg’s Law describes the condition for constructive interference

of X-rays scattered by parallel atomic planes in a crystalline
material. It explains how X-ray diffraction occurs from crystals.

The law is given by:

𝒏𝝀 = 𝟐𝒅 𝐬𝐢𝐧 𝜽

where

n = order of diffraction (integer: 1, 2, 3, …)

λ = wavelength of the incident X-rays
d = interplanar spacing (distance between crystal planes)
θ = angle of incidence (Bragg angle)
Bragg’s Law states that constructive interference of X-rays
reflected from crystal planes occurs when the path difference
between rays reflected from successive planes equals an integer
multiple of the wavelength.
Question
Inter planar distance between two layers is 4Å in a crystal.
Calculate the angle of reflection for first order reflection. X-rays of
wavelength 1.54Å are diffracted by the crystal.

Solution

98