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Class 7 Feb 3

The document discusses the relationship between reaction rates, rate constants, and temperature dependence using the Arrhenius equation. It explains how to estimate activation energy barriers through plotting ln(k) against 1/T and introduces the Extended Arrhenius equation to account for temperature effects on the pre-exponential factor. Additionally, it highlights the connection between kinetics and thermodynamics through the Evans-Polanyi relation, linking activation energy to reaction enthalpy.

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3 views6 pages

Class 7 Feb 3

The document discusses the relationship between reaction rates, rate constants, and temperature dependence using the Arrhenius equation. It explains how to estimate activation energy barriers through plotting ln(k) against 1/T and introduces the Extended Arrhenius equation to account for temperature effects on the pre-exponential factor. Additionally, it highlights the connection between kinetics and thermodynamics through the Evans-Polanyi relation, linking activation energy to reaction enthalpy.

Uploaded by

anshulgodbole2306
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd

CY 2010 Kinetics and Catalysis

Reaction rate
Rate constant

3 February 2026
1
Rate constant and temperature dependence

–rj= kj(T) f(CA, CB,…)


kj(T) is the reaction rate constant
−𝐸𝑎
k(T)=A exp 𝑅𝑇 Arrhenius equation
A is a pre-exponential or a frequency factor for the reaction
𝐸𝑎 is the activation energy barrier for the reaction
R is the gas constant and T is the temperature in K
𝐸𝑎 1
ln 𝑘 = ln 𝐴 −
𝑅 𝑇
Slope of plot of ln(k) and 1/T (linear function) can help estimate activation energy barrier.

Pre-exponential factor is obtained as y-intercept of the ln(k) vs 1/T plot


2
Pre-exponential and temperature dependence
−𝐸𝑎
k(T)=A exp 𝑅𝑇 Arrhenius equation
−𝐸𝑎′
𝑚
k(T)=A′𝑇 exp 𝑅𝑇 Extended Arrhenius equation capturing temperature dependence
of pre-exponential component, m is an experimentally determined
number

3
Energy diagram, transition state and activation barrier

TS
TS

Ea

Energy
Energy

Ea
P
R R ∆Er
∆Er
P

Reaction coordinate Reaction coordinate

Exothermic reaction Endothermic reaction


4
Link between kinetics and thermodynamics?
Enthalpy of reaction and activation barrier
Approximation of activation barrier using more easily accessible reaction enthalpy or heat
of reaction for similar reactions
Eg. Evans-Polanyi relation or Brønsted-Evans-Polanyi relation: Linear relation of activation
energy of a reaction with its enthalpy of reaction
𝐸𝑎 = α ∆𝐻𝑟 + 𝑐
Where 0 < α < 1, ∆𝐻𝑟 is the enthalpy of reaction

Activation energy

Heat evolved 5
Qualitative depiction of BEP principle with PESs

Reactant Ea
Reactant Ea new
new
∆Hr Product

∆Hr new Product


new

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