LABORATORY 3: CHEMICAL REACTORS AND
REACTION KINETICS
Submitted by
RIDHA MOHAMED VN
CH02
B230520CH
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LABORATORY 3: CHEMICAL REACTORS AND REACTION KINETICS
AIM
• To study the isothermal decomposition of Di-tert-butyl peroxide in gas
phase under no pressure drop in flow reactor
• To calculate reactor volume to achieve 90% conversion for the given
reaction in both Plug flow Reactor(PFR) and Continuous Stirred Tank
Reactor(CSTR)
OBJECTIVES
• Model different types of chemical reactors (CSTR, PFR, Batch)
• Input reaction kinetics and thermodynamic data
• Analyze reactor performance under various operating conditions
• Design reactor networks for complex reaction systems
• Optimize reactor operating conditions for maximum selectivity
THEORY
Chemical reactors are devices in which chemical reactions occur under controlled
conditions of temperature, pressure, and flow. Reactor design depends on reaction
kinetics, thermodynamics, and desired conversion or selectivity.
Two common flow reactor models are:
• Plug Flow Reactor (PFR): Assumes fluid elements move in plug-like
fashion with no axial mixing and uniform radial properties. Conversion is
calculated by integrating the rate law over the reactor volume.
• Continuous Stirred Tank Reactor (CSTR): Assumes perfect mixing, so
outlet composition equals reactor composition. Conversion is determined
from steady-state material balances.
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PROBLEM STATEMENT
Elementary gas phase reaction
(CH₃)₃COOC(CH₃)₃ → C₂H₆ + 2 CH₃COCH₃
is carried out isothermally in a flow reactor with no pressure drop. The specific
reaction rate at 50°C is 10⁻⁴ min⁻¹ and activation energy is 85 kJ/mol. Pure di-
tert-butyl peroxide enters the reactor at 10atm and 127°C at molar flow rate of
2.5 mol/min. Calculate the reactor volume to achieve 90% conversion in
a) PFR b) CSTR.
967 dm³.
METHODOLOGY
Step 1: Reaction definition
1. Create new simulation and define components
2. Select NRTL property method for this aqueous system
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3. Navigate to Reactions folder and define reaction stoichiometry
4. Input kinetic parameters and rate expressions
Step 2: PFR Simulation
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1. Add RPlug reactor model
2. Define feed streams (equimolar ratio of reactants)
3. Specify reactor volume and operating conditions
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4. Run simulation and analyze conversion
Step 2.1 : SENSITIVITY ANALYSIS
Perform comprehensive sensitivity analysis to understand the effect of:
• Temperature on reaction rate and equilibrium
• Pressure on reaction equilibrium
• Residence time on conversion
• Feed composition on selectivity
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RESULT
We got the Dimensions of PFR as,
Length = 0.3 m
Diameter = 0.182 m
Volume = 7.8 L
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Step 3: CSTR Simulation
1. Add CSTR Reactor model
2. Define feed stream
3. Specify reactor volume and operating conditions
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4. Run simulation and analyze Results
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Step 3.1: SENSITIVITY ANALYSIS
• Perform Comprehensive sensitivity analysis to understand the effect of :
• Reactor volume on conversion of Di-tert-butyl peroxide
• Define Volume of CSTR as manipulated variable and Mole fraction of Di-
tert-butyl peroxide as sampled variable.
• Analyze the results to find the Volume of CSTR corresponding to different
mole fractions.
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RESULT
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The Reactor Volume Required to achieve 90% conversion for given conversion in
CSTR Reactor is 506 L
CONCLUSION
• The PFR required only 7.8 L to achieve 90% conversion, while the CSTR
required 506 L under the same conditions.
• PFRs are more volume-efficient than CSTRs for first-order reactions due to
higher reactant concentration throughout the reactor.
• Aspen Plus simulation results are consistent with chemical reaction
engineering theory.
• The large volume difference highlights the importance of reactor selection
in process design.
• Isothermal operation and no pressure drop assumptions simplified the design
calculations and matched ideal reactor behavior.
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