CATALYSIS

(DIGITAL
DRAFT)
Introduction:(What is Catalysis?)
-->Catalysis is the increase in rate of a chemical reaction
due to an added substance known as a catalyst. Catalysts
are not consumed by the reaction and remain unchanged
after it.If the reaction is rapid and the catalyst recycles
quickly, very small amounts of catalyst often suffice;mixing,
surface area, and temperature are important factors in
reaction rate. Catalysts generally react with one or more
reactants to form intermediates that subsequently give the
final reaction product, in the process of regenerating the
catalyst.

PICTURES OF CATALYST FORMS

(PELLET/LIQUID FORM)

Importance in a chemical reaction:

---> During a chemical reaction, the bonds between the
atoms
in molecules are broken, rearranged, and rebuilt,
recombining the atoms into new molecules. Catalysts make
this process more efficient by lowering the activation
energy, which is the energy barrier that must be
surmounted for a chemical reaction to occur. As a result,
catalysts make it easier for atoms to break and form
chemical bonds to produce new combinations and new
substances.

HISTORICAL BACKGROUND:
Early discoveries in catalysis date back to the 19th century. In 1835,
Swedish chemist Jöns Jakob Berzelius introduced the term
"catalysis" and recognized that certain substances accelerate
chemical reactions without being consumed. In 1817, Humphry
Davy observed that platinum could ignite hydrogen gas. Later, in
1831, Michael Faraday noted that finely divided platinum catalyzed
the reaction between hydrogen and oxygen. These early findings
laid the foundation for understanding the role of catalysts in
chemical processes, leading to significant advancements in
industrial chemistry and the development of modern catalytic
methods.

SIGNIFICANT MILESTONES:
·1835: Jöns Jakob Berzelius introduces the concept of catalysis.

·1817: Humphry Davy observes platinum catalyzing the ignition of

hydrogen gas.

·1831: Michael Faraday discovers that finely divided platinum

catalyzes the reaction between hydrogen and oxygen.

·1902: Paul Sabatier develops the hydrogenation process, using

nickel as a catalyst, earning the Nobel Prize in 1912.

·1913: Fritz Haber and Carl Bosch commercialize the Haber-Bosch

process for synthesizing ammonia, crucial for fertilizers and
explosives.

·1923: BASF develops the Fischer-Tropsch process to produce liquid

hydrocarbons from coal using iron and cobalt catalysts.

·1956: Ziegler-Natta catalysts enable the polymerization of ethylene

and propylene, revolutionizing the plastics industry.
·1970s: Catalytic converters using platinum-group metals are
introduced to reduce vehicle emissions.

·2000s: Advances in biocatalysis and enzyme engineering enhance

the efficiency and specificity of biochemical reactions in
pharmaceuticals and biotechnology.

MECHANISMS INVOLVED IN CATALYSIS:

Catalysts work by providing an alternative reaction pathway
with a lower activation energy than the non-catalyzed
reaction. Here's a step-by-step explanation of how catalysts
function :

Lowering Activation Energy :

Catalysts lower the energy barrier that reactants must

overcome to transform into products. This enables reactions
to proceed more quickly or at lower temperatures.

Formation of Intermediates :

Catalysts often form transient intermediates with reactants.

These intermediates require less energy to convert into final
products compared to the uncatalyzed reaction.

Increasing Reaction Rate :

By lowering the activation energy, catalysts increase the

rate at which reactants are converted into products, without
being consumed in the overall reaction.

Providing a Surface :

In heterogeneous catalysis, catalysts provide a surface

where reactants can come together more easily. This
increases the likelihood of reactant collisions and the
formation of intermediates.

Regeneration :
After facilitating the reaction, catalysts return to their
original state, ready to assist in another reaction cycle. This
regeneration is crucial for the catalyst's repeated use.

CATALYST VS REACTANT:

· Role in Reaction:

 Catalysts: Speed up the reaction by lowering the activation

energy without being consumed or permanently altered.
 Reactants: Undergo chemical changes to form products during
the reaction.

· Quantity:

 Catalysts: Needed in small amounts relative to reactants.

 Reactants: Consumed in stoichiometric amounts to produce
products.

· Regeneration:

 Catalysts: Regenerated and reused in multiple reaction cycles.

 Reactants: Converted into products and not regenerated in the
same reaction cycle.

TYPES OF CATALYSTS:
Homogeneous Catalysts:

 Phase: Same phase as the reactants, usually liquid.

 Mechanism: Interact with reactants uniformly, providing a
consistent environment for the reaction.
 Example: Sulfuric acid in esterification reactions.
 Advantages:
o Precise control over reaction conditions.
o Easy to study mechanistically due to uniform phase.
 Disadvantages:

o Difficult to separate from the reaction mixture.

o Potential environmental concerns with disposal.
Heterogeneous Catalysts:

 Phase: Different phase than the reactants, often solid with

liquid or gas reactants.
 Mechanism: Provide a surface where reactants can adsorb and
react.
 Example: Platinum (Pt) in catalytic converters for reducing
vehicle emissions.
 Advantages:

o Easy to separate from the reaction mixture.

o Often more stable and reusable over multiple cycles.

 Disadvantages:

o Limited interaction surface area.

o Can be deactivated by impurities or fouling.

Biocatalysts:

 Nature: Enzymes or other biological molecules.

 Mechanism : Highly specific interactions with reactants, often
in aqueous environments.
 Example: Amylase in the breakdown of starch into sugars.
 Advantages :

o High specificity and efficiency.

o Operate under mild conditions (temperature, pH).
o Environmentally friendly and biodegradable.

 Disadvantages :

o Sensitive to environmental changes (temperature, pH,

inhibitors).
o Can be expensive to produce and purify.
o Limited lifespan and stability compared to synthetic
catalysts.

CONVENTIONAL THEORIES:

-->ADSORPTION THEORY:
The adsorption theory explains how heterogeneous catalysts work
by providing a surface for reactants to interact :

Adsorption :

Reactant molecules adhere to the surface of the solid

catalyst. This can occur through:

Physisorption : Weak van der Waals forces.

Chemisorption : Strong chemical bonds.

Surface Interaction :

Once adsorbed, reactants are brought closer together,

facilitating interactions that may not occur in the bulk
phase. The surface may also weaken bonds within the
reactant molecules, making them more reactive.

Reaction :

The reactants interact on the catalyst surface, forming an

intermediate complex. This intermediate is more reactive
and converts into the product more easily than in the
absence of the catalyst.

Desorption :

The product molecules detach from the catalyst surface,

leaving the catalyst ready to adsorb new reactant molecules
and repeat the process.

-->INTERMEDIATE COMPOUND
FORMATION THEORY:
The Intermediate Compound Formation Theory explains how
catalysts facilitate reactions by forming temporary intermediate
compounds with reactants :

Formation of Intermediates :
The catalyst reacts with the reactants to form an intermediate
compound. This compound is more reactive than the original
reactants.

Transformation :

The intermediate undergoes further reaction steps that are

energetically more favorable than the direct reaction between the
original reactants.

Release of Products :

The intermediate compound breaks down to release the final

product(s), regenerating the catalyst in its original form, ready to
participate in another reaction cycle.

Key Points :

 Lower Activation Energy :

 The formation of an intermediate reduces the overall activation
energy needed for the reaction, speeding up the process.
 Catalyst Regeneration :
 The catalyst is not consumed in the reaction; it is regenerated
at the end of the process.
 Example :
 In the Haber process for ammonia synthesis, nitrogen and
hydrogen react on an iron catalyst surface to form an iron-
nitrogen-hydrogen intermediate, which then decomposes to
produce ammonia and regenerate the iron catalyst.

MODERN THEORIES:

-->MOLECULAR ORBITAL THEORY:

 Application :
 Molecular Orbital (MO) Theory is applied to understand how
catalysts interact with reactants at a quantum mechanical
level.
 Explanation :
  MO Theory describes the formation of molecular orbitals from
atomic orbitals when catalysts and reactants interact. It helps
elucidate how catalysts stabilize transition states and
intermediates, thereby lowering activation energies and
facilitating reactions.
 Example :
 In enzymatic catalysis, MO Theory explains how the active site
of an enzyme can bind substrates in a way that promotes
specific reactions by stabilizing the transition state through
interactions with specific molecular orbitals.

-->TRANSITION STATE THEORY:

· Concept:
Transition State Theory (TST) describes the rates of chemical
reactions and how catalysts affect reaction kinetics.
· Explanation:
TST focuses on the transition state, which is a fleeting, high-energy
state that determines the rate of reaction. Catalysts stabilize the
transition state, thereby lowering its energy barrier and accelerating
the reaction.
· Application:
TST is used to calculate rate constants and predict how changes in
catalysts or reaction conditions influence reaction rates.
· Example:
In heterogeneous catalysis, TST helps explain how catalyst surfaces
provide a favorable environment for reactants to approach and
interact, leading to lower activation energies and faster reaction
rates.

Enzyme Catalysis Models:

Enzyme catalysis involves two main models to describe how enzymes
interact with substrates: the lock and key model and the induced fit
model.

-->Lock and Key Model:

 Concept :
 The lock and key model proposes that the enzyme's active site
has a specific shape that exactly fits the substrate molecule,
much like a key fits into a lock.
 Explanation:
 o Enzyme (lock) and substrate (key) have complementary
shapes.
o Substrate binds directly to the active site with precise
geometric and chemical complementarity.
o Once bound, the enzyme facilitates the reaction by
stabilizing the transition state and lowering the
activation energy.
 Advantages:

o Specific and straightforward explanation of enzyme-

substrate interactions.
o Suggests enzyme specificity based on structural
complementarity.

 Limitations:

o Ignores the flexibility of enzymes and substrates, which

can undergo conformational changes upon binding.

-->Induced Fit Model:

 Concept :
 The induced fit model proposes that the enzyme's active site
undergoes conformational changes upon substrate binding to
better accommodate and stabilize the substrate.
 Explanation :

o Initially, the enzyme's active site is not perfectly

complementary to the substrate.
o Upon substrate binding, the enzyme undergoes
conformational changes to better fit and interact with
the substrate.
o These changes may involve shifts in enzyme structure,
such as loop movements or side chain rearrangements,
to optimize binding and catalytic activity.

 Advantages :

o Accounts for the dynamic nature of enzymes and their

ability to adjust their shape to fit substrates.
o Explains how enzymes can catalyze reactions with a wide
range of substrates.
  Limitations :

o Complexity in studying and predicting enzyme-substrate

interactions due to dynamic changes in enzyme
structure.

TYPES OF CATALYSIS :

--> HOMOGENOUS CATALYSIS :

Definition :

Homogeneous catalysis involves catalysts that are in the same

phase (usually liquid or gas) as the reactants they act upon. These
catalysts are typically dissolved in the reaction mixture.

Mechanism :

In homogeneous catalysis, the catalyst interacts directly with the

reactants to form an intermediate complex. This complex lowers the
activation energy required for the reaction to proceed, thereby
increasing the rate of reaction. The catalyst is regenerated at the
end of the reaction cycle and can participate in multiple reaction
cycles.

Applications :

Homogeneous catalysis finds applications in various industrial

processes, particularly in organic synthesis and fine chemical
production. It allows for precise control over reaction conditions and
can lead to high yields and selectivity in product formation.

Examples:

 Hydroformylation Reaction :
 Catalyzed by transition metal complexes like rhodium or
cobalt, hydroformylation converts alkenes into aldehydes.
 Hydrogenation Reactions :
 Transition metal catalysts such as palladium or platinum
catalyze the addition of hydrogen to unsaturated compounds,
producing saturated products.
  Olefin Metathesis :
 Ruthenium-based catalysts facilitate the rearrangement of
carbon-carbon double bonds in olefins to form new
compounds with different structures.

Advantages:

 Control : Allows for precise control over reaction conditions.

 Efficiency : Often faster reaction rates and higher yields.
 Selectivity : Can provide high selectivity towards desired
products.

Disadvantages:

 Separation : Catalyst separation and recycling can be

challenging.
 Cost : Some homogeneous catalysts can be expensive or
require specialized handling.

--> HETEROGENOUS CATALYSIS :

Definition :

Heterogeneous catalysis involves catalysts that are in a

different phase (often solid) than the reactants they act
upon, which are typically in gas or liquid phases.

Mechanism :

In heterogeneous catalysis, reactant molecules adsorb onto

the surface of the solid catalyst. This adsorption weakens
certain bonds in the reactants, facilitating the formation of
intermediate species or transition states with lower
activation energies. The products then desorb from the
catalyst surface, leaving the catalyst unchanged and
available for subsequent reactions.

Applications :
Heterogeneous catalysis is widely used in industrial
processes due to its ease of separation and recycling of the
catalyst. It is employed in:

 Petrochemical refining (e.g., catalytic cracking and reforming).

 Environmental applications (e.g., catalytic converters for
vehicle emissions control).
 Production of chemicals and fuels (e.g., ammonia synthesis,
methanol production).

Examples :

 Catalytic Converters :
 Platinum and palladium catalysts convert harmful gases like
carbon monoxide, nitrogen oxides, and hydrocarbons into less
harmful emissions in automobile exhaust systems.
 Ammonia Synthesis :
 Iron catalysts enable the Haber-Bosch process, converting
nitrogen and hydrogen gases into ammonia, a crucial step in
fertilizer production.
 Hydrogenation :
 Nickel or platinum catalysts hydrogenate vegetable oils to
produce margarine or shortenings.

Advantages :

 Efficiency : High catalytic activity and selectivity.

 Recyclability : Catalysts can be reused multiple times.
 Versatility : Wide range of applications across different
industries.

Disadvantages :

 Deactivation : Catalysts can be poisoned or deactivated by

contaminants or reaction byproducts.
 Complexity : Understanding and optimizing catalyst surfaces
and reactions can be challenging.

--> ENZYMATIC/BIOLOGICAL CATALYSIS :

Definition :
Enzymatic or biological catalysis involves the use of biological molecules,
typically enzymes, to accelerate chemical reactions in living organisms or in
vitro.

Mechanism :

Enzymes are highly specific catalysts that bind substrates at their active sites,
where the reaction occurs. The enzyme-substrate complex undergoes specific
interactions that lower the activation energy required for the reaction to
proceed. Enzymes facilitate reactions by stabilizing transition states or
intermediates, and they are not consumed in the reaction, allowing them to
catalyze multiple reactions.

Applications :

Enzymatic catalysis finds applications in various fields, including:

 Biotechnology : Enzymes are used in the production of

pharmaceuticals, biofuels, and food processing.
 Medicine : Enzyme-based therapies, diagnostics, and drug
development.
 Environmental Remediation : Enzymes are used in bioremediation
to degrade pollutants.

Examples :

 Digestive Enzymes : Amylase breaks down starch into sugars in the

digestive system.
 Industrial Enzymes : Lipases are used in detergent formulations to
break down fats and oils.
 Biocatalytic Processes : Alcohol dehydrogenase is used in the
synthesis of pharmaceuticals and fine chemicals.

Advantages:

 Specificity : Enzymes exhibit high substrate specificity, leading to

efficient and selective reactions.
 Mild Conditions : Operate under mild temperature and pH conditions,
reducing energy consumption.
 Biodegradability : Environmentally friendly and biodegradable.

Disadvantages :

 Cost : Some enzymes can be expensive to produce and purify.

  Stability : Enzymes can be sensitive to temperature, pH, and
inhibitors.
 Engineering Challenges : Designing enzymes with improved
properties for specific applications can be challenging.

INDUSTRIAL APPLICATIONS :

--> PETROLEUM INDUSTRY :

Catalysis is indispensable in the petroleum industry, where
it plays a critical role in refining crude oil into valuable
products such as gasoline, diesel, and petrochemical
feedstocks. Processes like catalytic cracking and catalytic
reforming use specific catalysts to break down complex
hydrocarbons into smaller, more useful molecules,
enhancing the yield and quality of fuels. Catalytic processes
also help to remove sulfur compounds from fuels, improving
their environmental impact and meeting regulatory
standards. Additionally, catalysts enable the conversion of
heavier fractions of crude oil into lighter, more valuable
products, optimizing refinery operations and ensuring
efficient utilization of resources. Overall, catalysis in the
petroleum industry is essential for enhancing product
quality, increasing production efficiency, and meeting global
energy demands sustainably.

--> CHEMICAL PRODUCTION :

Catalysis plays a pivotal role in chemical production by
enabling efficient and selective transformations of raw
materials into valuable products. Catalysts facilitate
reactions that would otherwise require harsh conditions or
lengthy processing times, thus reducing energy
consumption and minimizing waste generation. In industrial
settings, catalysts are used in processes ranging from the
synthesis of basic chemicals like ammonia and methanol to
the production of fine chemicals and pharmaceutical
intermediates. Their ability to enhance reaction rates,
improve yield, and control product selectivity makes
catalysis essential for optimizing manufacturing processes
and ensuring economic viability. Moreov§er, catalysts
contribute to sustainable practices by enabling cleaner
production methods and reducing the environmental
footprint of chemical industries worldwide.

--> ENVIROMENTAL PROTECTION :

Catalysis plays a crucial role in environmental protection by
enabling the development of technologies that mitigate
pollution and promote sustainability. Catalytic converters,
for example, installed in vehicles, effectively reduce harmful
emissions such as carbon monoxide, nitrogen oxides, and
hydrocarbons by catalyzing their conversion into less
harmful gases like carbon dioxide, nitrogen, and water
vapor. In industrial applications, catalysis is used in
processes like wastewater treatment and air purification,
where catalysts facilitate the breakdown of pollutants into
non-toxic substances. Furthermore, catalytic processes in
renewable energy production, such as fuel cells and biomass
conversion, contribute to reducing reliance on fossil fuels
and lowering greenhouse gas emissions. Overall, catalysis
plays a critical role in safeguarding the environment by
enabling cleaner technologies and sustainable practices that
help mitigate the impacts of human activities on ecosystems
and public health.

CATALYSIS IN SUSTAINABLE
CHEMISTRY :

--> RENEWABLE ENERGY :

Catalysts are instrumental in advancing renewable energy
technologies by enabling efficient conversion and storage of
renewable resources. In solar energy applications, catalysts play a
key role in photoelectrochemical cells and artificial photosynthesis
systems, facilitating the conversion of sunlight into chemical energy
like hydrogen fuel. Additionally, catalysts are essential in biomass
conversion processes, where they enhance the transformation of
biomass feedstocks into biofuels such as ethanol and biodiesel.
Moreover, in fuel cells, catalysts facilitate the electrochemical
reactions that convert hydrogen and oxygen into electricity with high
efficiency and minimal environmental impact. As renewable energy
sources continue to gain prominence in the global energy mix,
catalysis remains crucial for optimizing these technologies,
improving their performance, and supporting the transition towards
a more sustainable and carbon-neutral energy future.

--> WASTE REDUCTION AND

RECYCLING :
Catalysts play a significant role in waste reduction and recycling
efforts by enabling efficient conversion of waste materials into
valuable products or minimizing waste generation in industrial
processes. In chemical recycling, catalysts facilitate the breakdown
of polymers and plastics into their constituent monomers, which can
then be used to produce new materials without the degradation
associated with traditional recycling methods. Additionally, catalysts
are employed in waste water treatment to degrade harmful
pollutants and contaminants, ensuring cleaner water discharge into
the environment. Furthermore, in industrial manufacturing, catalysts
optimize processes by increasing reaction efficiency and yield,
thereby reducing the amount of raw materials needed and
minimizing waste production. Overall, catalysis contributes to
sustainable waste management practices by promoting resource
efficiency, reducing environmental impact, and supporting circular
economy initiatives aimed at minimizing waste and maximizing
resource recovery.

CONCLUSION
In conclusion, the study of catalysis stands as a cornerstone
of modern chemistry, bridging fundamental scientific
principles with transformative applications across industries
and disciplines. From the pioneering works of early chemists
to the sophisticated molecular insights of today's
researchers, catalysis has continually evolved, enabling
unprecedented advances in medicine, energy,
environmental protection, and beyond. Its ability to
accelerate chemical reactions with precision and efficiency
has revolutionized industrial processes, making them more
sustainable and economically viable. Moreover, catalysis
plays a pivotal role in addressing global challenges such as
pollution mitigation and renewable energy development,
offering solutions that are essential for a sustainable future.
As we continue to unlock the mysteries of catalytic
mechanisms and engineer new catalysts with enhanced
capabilities, the prospects for innovation and discovery in
chemistry remain boundless. Catalysis not only shapes the
way we understand chemical transformations but also
inspires us to push the boundaries of scientific knowledge,
paving the way for a world where chemistry serves as a
driving force for progress and prosperity.

BIBLIOGRAPHY:
· National Renewable Energy Laboratory (NREL) - nrel.gov

· Catalysis Science and Technology Resource Portal (CSTR)

- catalysisportal.com

· American Chemical Society (ACS) - acs.org

· European Federation of Catalysis Societies (EFCATS) -

efcats.org

· Catalysis Club of Philadelphia (CCP) -

catalysisclubphilly.org

· International Association of Catalysis Societies (IACS) -

iacs-ess.org

· National Institute of Standards and Technology (NIST) -

nist.gov

· Max-Planck-Institut für Kohlenforschung (MPI) -

kofo.mpg.de

· U.S. Department of Energy (DOE) - Office of Science -

energy.gov
THANK
YOU