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Lecture 4 - Isothermal Reactor Design

This document discusses the design of isothermal reactor systems. It introduces the key concepts of mole balances, rate laws, and stoichiometry that are combined to derive equations for isothermal reactor design. The focus is on using a logical, step-by-step approach to solve problems rather than memorizing equations. Methods like analytical, graphical and numerical solutions are presented. Examples covered include the design of continuous stirred-tank reactors (CSTRs) using kinetic parameters obtained from batch reactor data and definitions of terms like the Damkohler number.

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166 views16 pages

Lecture 4 - Isothermal Reactor Design

This document discusses the design of isothermal reactor systems. It introduces the key concepts of mole balances, rate laws, and stoichiometry that are combined to derive equations for isothermal reactor design. The focus is on using a logical, step-by-step approach to solve problems rather than memorizing equations. Methods like analytical, graphical and numerical solutions are presented. Examples covered include the design of continuous stirred-tank reactors (CSTRs) using kinetic parameters obtained from batch reactor data and definitions of terms like the Damkohler number.

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© © All Rights Reserved
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Lecture 4

• Block 1: Mole Balances Combine


• Block 2: Rate Laws
• Block 3: Stoichiometry Stoichiometry

! Rate Laws
!
Mole Balance
!
!
In Chapter 1 & 2 we discussed mole balances on reactors
and use of these balances to determine reactor sizes. In
Chapter 3 we discussed reaction rate and stoichiometry.
In this Chapter we combine reactions and reactors by
using our understanding of Lectures 1 to 4 to arrive at a
logical structure for the design of various types of
reactors.

!1
Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)
Part I: Mole Balance in terms of Conversion

Design structure for Isothermal Reactors


!
The objective of this section is to solve
chemical reaction engineering problems using
logical rather than memorizing which equation
applies where. See Figures 1 and 2

Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)


Figure 1:
Isothermal reaction design algorithm
for conversion
Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)
Evaluate
Combine
Stoichiometry
Rate Laws
Mole Balance

Figure 2:
Algorithm for isothermal reactors

Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)


The algorithm for Isothermal reactor design:
!
1. Mole balance, choose species A reacting in a PFR
2. Rate law, choose the irreversible 1st order reaction
3. Stoichiometry, choose the gas-phase concentration
4. Combine Steps 1 to 3 to arrive at Equation A
5. Evaluate the combined step using
• Analytical method
• Graphical
• Numerical
• Polymath

Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)


In Figure 2, we chose to integrate Equation A for constant
temperature and Pressure to find the volume necessary
to achieve a specified conversion (or calculate the
conversion that can be achieve in a specified reactor
volume.
!
As a rule, we typically don’t substitute numerical values
for parameters in the combine step until the very end
unless the parameter values are zero
Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)
Scale-up of Liquid-phase batch reactor data
to the design of a CSTR

As chemical engineers we are interested in the scale-up of


laboratory experiment to pilot-plant or to full-scale
production.
!
In this section we analyzed lab. scale batch reactor to
determine reaction parameters (kinetic parameters), we
then use these information in the design of a full scale flow
reactor.

Batch operation
V=Vo for liquid phase rxn in which density change is
negligible i.e. rxn in a const. vol. batch reactor.
!
Consider Mole-balance

Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)


Rate law Stoichiometry

Combine

Evaluate

Algorithm to estimate reaction times (batch reaction) for 1st & 2nd order rxn.

Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)


It can be shown that the time required to achieve 90%
conversion for a 1st order rxn. is:
!
!
!
Similarly for a 2nd order rxn, time for the same conversion
is:
!
!
!
!
To achieve 99% conversion for the same value, and
under the same condition the reaction time would jump
to 27.5 hours

Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)


In reality, the total cycle time for batch operation is
longer than reaction time, as it account for the
time necessary to fill and heat the reactor,
together with the time required to clean the
reaction between batches
!
!
Hence reduction of cycle time means decreasing
reaction time, using large lines and pumps to rapid
transfer of reactants.

Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)


Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)
Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)
Stoichiometry table

Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)


Processed data

t(min) CC(kmol/ ((CA0-­‐ ln((CA0-­‐


0.0 0.000 1.000 0.000
0.5 0.145 0.855 -­‐0.157
1.0 0.270 0.730 -­‐0.315
1.5 0.376 0.624 -­‐0.472
2.0 0.467 0.533 -­‐0.629
3.0 0.610 0.390 -­‐0.942
4.0 0.715 0.285 -­‐1.255
6.0 0.848 0.152 -­‐1.884
10.0 0.957 0.043 -­‐3.147

Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)


Design of Continuous Stirred Tank Reactors
(CSTRs)

Recall Mole balance for CSTR

This equation applies to a single CSTR


!
For a 1st order rxn. It can be shown by combining the rate law with the
corresponding stoichiometry that :
!
!
!
By re-arranging:
!
!
Exit concentration of the reactor

Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)


Damkӧhler number

Damkӧhler number, Da (Dimensionless number that gives an estimate


of degree of conversion that can be achieved in CSTR
!
It measures the ratio of rate of reaction of a species to the rate of
convective transport of the species at the entrance to the reactor
!
!
!
!
For 1st order rxn:
!
!
For 2nd order rxn:

Lecture 5: Isothermal Reactor Design – Ojumu TV (PhD)

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