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Mass Balance & Reactor Theory
Mass Balance & Reactor Theory
REACTOR THEORY
Dr-Ing Marisa Handajani, ST, MT
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Uses
Essential tp solution of a greater number of
environmental engineering and science problems, such as:
Pollutant movement
Monitoring operating efficiency in ‘day to day’ operation of
process (process control)
Calculations for design and development of a process i.e.
quantities required, sizing equipment, number of items of
equipment
Law of conservation of mass
3
Mass Balance
(Mass at time t + Δ t ) =
(mass at time t ) +
(mass that entered from t to t + Δ t ) –
(mass that exited from t to t + Δ t ) +
(net mass of chemical produced from
other compounds by reaction between t
and t + Δ t )
4
Mass Flux Balance
Rate at which mass enters or leaves a system
Mass which enters or leaves a system in a certain time
range Δ t
Dividing the mass balance equation by Δ t
F = mass flux unit (mass/time)
𝑑𝑁
= 𝐹𝑖𝑛 − 𝐹𝑜𝑢𝑡 + 𝐹𝑟𝑥𝑛
𝑑𝑡
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A mass balance is only meaningful in terms of a specific
region of space, which has boundaries across which the
term of min and mout are determined
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Mass Balance on Reactive System
In - out + gen - cons = accumulation
FA0 FA
Rate of flow in Rate of flow out
System
GA
Rate of
generation/
consumption
mass mass
volume
time volume time
If GA (and hence rA) varies with position in the system
volume, we can take this into account by evaluating this
term at several locations. Then DGA1 = rA1 DV1,
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Chemical Reaction (generation) Rate Forms
Possibilities
1. Conservative Compounds
No chemical formation or loss within the control volume
Not affected by chemical or biological reaction
𝒅𝑪ൗ
𝒅𝒕𝒓𝒆𝒂𝒄𝒕𝒊𝒐𝒏 𝒐𝒏𝒍𝒚 = 𝑮𝑨 = 𝟎
1. Zero Decay
Rate of loss of the compound is constant
𝒅𝑪ൗ = −𝒌 𝐚𝐧𝐝 𝑮𝑨 = −𝑽𝒌
𝒅𝒕𝒓𝒆𝒂𝒄𝒕𝒊𝒐𝒏 𝒐𝒏𝒍𝒚
2. First order Decay
Rate of loss of the compound is directly proportional to its
concentration
𝒅𝑪Τ = −𝒌𝑪 𝒂𝒏𝒅 𝑮𝑨 = −𝑽𝒌C
𝒅𝒕𝒓𝒆𝒂𝒄𝒕𝒊𝒐𝒏 𝒐𝒏𝒍𝒚
4. Production
Rate depends on the concentration of other compounds in the reactor
𝒅𝑪ൗ
9 𝒅𝒕𝒓𝒆𝒂𝒄𝒕𝒊𝒐𝒏 𝒐𝒏𝒍𝒚 > 𝟎
Summing the reactions over the entire volume yields:
k k
G A DG Ai rAi DVi
i 1 i 1
DV 0 which gives
V
GA rA dV
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Generalized Design Equation for Reactors
V
dN A
FA0 FA rA dV
dt
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Mass Accumulation rate (dN/dt)
Assume that the volume control is completely mixed
𝑑𝑁 𝑑 𝑉. 𝐶
=
𝑑𝑡 𝑑𝑡
So the concentration and hence the mass within the control volume
remains constant
𝑑𝑁
In steady state =0
𝑑𝑡
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Process Classification
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Types of Reactors
Batch
No flow of material in or out of reactor
Changes with time
Fed- Batch
Either an inflow or an outflow of material but not both
Changes with time
Continuous
Flow in and out of reactor
Continuous Stirred Tank Reactor (CSTR)
Plug Flow Reactor (PFR)
Steady State Operation
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Batch Reactor
Generalized Design Equation for
Reactors V
dN A
FA 0 FA rA dV
dt
No flow into or out of the reactor,
then, FA = FA0 = 0
dN A V
rA dV
dt
Good mixing, constant volume
dN A d N A V dC A
rAV or rA
dt dt dt
Batch reactors are often used in the early stage of
development due to their ease of operation and
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analysis
If the reaction is describe by first order kinetics
𝑑𝐶
= 𝑘𝐶
𝑑𝑡
Batch reactors are often used in the early stage of development due
to their ease of operation and analysis
Very limited use in field-scale biological wastewater treatment
process, although it should considered for some operation in small
plants and for sludge digestion
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Fed Batch Reactor
dN A d C A V
FA0 rA V
dt dt
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Convert the mass (NA) to concentration. Applying integration
by parts yields
dC A dV
Since FA0 rAV V CA
dt dt
dV
Then FA0
dt
dC A
Rearranging FA0 rAV V C A FA0
dt
dC A FA0 C A FA0
rA
dt V V
Or dC A FA0
1 C A rA
dt V
Used when there is substrate inhibition and for bioreactors with cells.
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Continuous Stirred Tank Reactor
Q C A0
Q, C A
V, C A
𝐶𝑒 1
=
𝐶0 1 + 𝑘𝑡𝐶𝑆𝑇𝑅
The reaction time required to achieve a desired reactant
concentration :
1 𝐶0
𝑡𝐶𝑆𝑇𝑅 = −1
𝑘 𝐶𝑒
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CSTR in Series
𝐶1 1
=
Q, C0 𝐶0 1 + 𝑘𝑡𝐶𝑆𝑇𝑅
V,C1
𝐶2 1
=
𝐶1 1 + 𝑘𝑡𝐶𝑆𝑇𝑅
V,C2
Q, C2
2
𝐶2 𝐶1 𝐶2 1
= =
𝐶0 𝐶0 𝐶1 1 + 𝑘𝑡𝐶𝑆𝑇𝑅
𝑛 𝑛
𝐶𝑛 1 𝑛 𝐶0
= 𝑛𝑡𝐶𝑆𝑇𝑅 = −1
𝐶0 1 + 𝑘𝑡𝐶𝑆𝑇𝑅 𝑘 𝐶𝑒
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Plug Flow Reactor (PFR)
Tubular Reactor
Pipe through which fluid flows and reacts.
Poor mixing
Difficult to control temperature variations.
An advantage is the simplicity of construction.
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PFR Design Equation
Design Equation V dN A
FA0 FA rA dV
dt
Examine a small volume element (DV) with length Dy
and the same radius as the entire pipe.
Flow of
Flow of
A out of
A into
Element
Element
If the element is small, then spatial variations in rA
are negligible, and
Assumption of “good
V mixing” applies only to
rA dV rA DV the small volume
element
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If volume element is very small, then assume steady state with no changes in
the concentration of A.
dN A
0
dt
Simplify design equation to: FA y FA y Dy rADV 0
FA y Dy FA y
ArA
Dy
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take the limit where the size of a volume element becomes infinitesimally
small dFA
ArA
lim
Dy 0 dy
dFA
or because Dy A = V, rA
dV
𝑑𝐹𝐴 𝑄.𝑑𝐶 𝑄.𝑑𝐶 𝑄.𝑑𝐶 𝑑𝐶
= = = =
𝑑𝑉 𝐴.𝑑𝑦 𝐴.𝑣.𝑑𝑡 𝑄.𝑑𝑡 𝑑𝑡
In case of first order reaction
𝑑𝐶
= −𝑘𝐶
𝑑𝑡
𝐶𝑡
= 𝑒𝑥𝑝 −𝑘𝑡
𝐶0
The time required to obtain a desired reactant concentration in the effluent
1 𝐶0
𝑡𝑃𝐹 = 𝑙𝑛
𝑘 𝐶𝑒
This is the Design Equation for a PFR
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Homework
Compare the total volume requirement for the following
reactor systems:
a. CMB reactor
b. Single CST reactor
c. Two CST reactor connected in series
d. PF reactor
It is desired that the reactant concentration be reduced
from 100 mg/L to 20 mg/L for the flow 50m3 day-1. Assume
the first order reaction kinetics are followed and the rate
constant has a value of 0.216 day-1.
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