General Mole Balance Equation

KNC3203
Chemical Reaction Process

1
General Mole Balance

Equation
DR NOR HASMALIANA ABDUL MANAS
GENERAL MOLE BALANCE
Fj0 Fj
Gj
System volume
___________ ___________ ___________ ___________
of j into - of j out of + _________of j by - _____________ = ______________
system system chemical rxn of j ______________
dNj
Fj0  Fj  Gj 
dt
 mol   mol   mol  d
 s   s   s   mol
      dt
If the system is uniform throughout its entire volume, then:

Gj   rj   V 
_______________ _________________
_______________ _________________ ________
= ______
_______________ _________________
Fj0 Fj
Gj
System volume
In - Out + Generation = Accumulation

dNj
Fj0  F j G j 
dt
dNj
Fj0  F j rj V  ___________________
uniform rate in V
dt
V dNj
Fj0  F j   rjdV  nonuniform rate in V
dt
Next: Apply general mole balance equation to ideal batch, CSTR, & PFR reactors
Batch Reactor
 Reactants are placed in the reactor,
and the reaction is allowed to proceed
for some amount of time
 Closed system- no _______ of
reactants or ______ of products
during the reaction
 Unsteady-state conditions- the
composition _______ with time
 Ideal batch reactor- vessel is _____
______
 Concentration and temperature are
___________, but NOT constant
in TIME
Examples of Batch Reactor
Lab-Scale Typical Commercial Batch

Batch Reactor Reactor
Motor for agitation

Basic Mole Balance for Batch Reactor
No flow in
In - Out + Generation = Accumulation
or out! V
dN j
F j 0  F j   r j dV 
X X
Fj0 Fj
0 0
dt
Batch Reactor Design

Equation
If the reactor is _____________, the temperature, concentration, &

therefore the reaction rate are ______________:
Ideal Batch Reactor

Design Equation
Continuous Stirred Tank Reactor (CSTR)
• Continuously ____________and
_____________(open system)
• Inlet stream instantaneously mixes
with bulk of ____________
• Ideal batch reactor- assume ______
_________occurs in vessel
• Temperature and concentration
are ___________ throughout
space
• Composition of the exit stream is
__________ as that inside reactor
(CA,outlet = _______)
• Steady-state conditions- the reaction
rate is the _________ and does not
_______ with time
Examples of CSTRs
Laboratory-Scale Bioreactor
Pfaudler Inc.
Basic Mole Balance for CSTR
In - Out + Generation = Accumulation Fj0 Fj
V
dN j
F j 0  F j   r j dV 
CSTR is at steady state (SS), so
dt no _______in moles j with time!
Steady State CSTR

Design Equation
A perfectly mixed CSTR has no ____________in reaction rate

 Fj F j rj V  0 Rearrange to put in terms of V
0
rj is measured at the outlet Ideal Steady State

because Cj,exit = Cj,tank CSTR Design Equation
Ideal SS CSTR Design Equation
Fj F j
V 0
 rj
Reactor volume required to reduce the entering flow rate of species j
from Fj0 to Fj at the outlet (and in the tank)
How do we determine the molar flow rate, Fj (units = mol/time)?

Fj   C j   
moles j  moles  volume 
  
time  volume  time 
Cj: concentration of j : volumetric flow rate
Ideal SS CSTR design equation in terms of concentration:

C j0   C j 
V
rj
Plugged Flow Reactor (PFR)
 Also called a _______ reactor

 _________ pipe with openings
at both ends
 Steady movement of material
down ______ of reactor
 Reactants are _______ as they
flow down the ______ of the
reactor
 Operated at steady state:
• No ___________in
temperature, concentration, or
reaction rate
• All fluid/gas elements have the
same ____________
Industrial PFRs
Polyethylene reactor:
• 16 inch inner diameter
• Operates at 35,000 psi & 600 °F
• Has a vertical orientation when in use
Courtesy of Autoclave Engineers of Snap-tite, Inc.

Basic mole balance for PFR
In a plug flow reactor the composition of the fluid ________________ along a flow
path. Consequently, the material balance for a reaction component must be made
for a differential ____________ ΔV
ΔV
Fj0 Fj
dN j
Fj0 - Fj + rjV =
dt
dNj
Fj  Fj  rj V   Fj  Fj  rjV  0
V V V dt V V V  V Divide by V
0
Fj  Fj Fj V  V Fj V
 V V V  rj  0   rj lim
V V V→0
If we assume the PFR is ideal, the degree of completion is not Ideal SS PFR
affected by PFR shape, only by PFR volume Design Eq.
Packed Bed Reactors (PBR)
• Cylindrical _____, ________ oriented

• Often _______-driven flow
• Heterogeneous reaction: fixed bed of _______
inside
• ________ enter top and flow through the packed
bed of _______
• _________ gradient of reactant and product
down the _______of the reactor
• Reaction occurs on the _______ of the catalyst
pellets
• Reaction rate is based on the ______ of the solid
catalyst, W, not reactor ______ V
Basic mole balance for PBR
dFj Similar to PFR, but we want to express it in terms of

 rj __________ __________instead of ________________
dV
Units for the rate of a mol Units for the rate of a mol
homogeneous rxn (rj) : s  m3 catalytic rxn (rj’) : s  kg catalyst
So rewriting the PFR design equation in terms of ____________

instead of _____________:
dF j The integral form to find the catalyst weight is:
 rj '
dW
where W is the
______________ The catalyst weight necessary to reduce the
entering molar flow rate, Fj0 to a flow rate Fj
Packed Bed Reactor (PBR) Mole Balance
PBR: FA0  FA   r dW  dNdt

A
A
The integral form to find the catalyst weight is:
The catalyst weight necessary to reduce the

entering molar flow rate, FA0 to a flow rate FA
Summary of reactor mole balances
Selection of Reactors
Batch
 ________ scale
 production of ________ products (e.g. pharmacy)
 high ______________ per batch
 difficult for ____________ production
CSTR: most homogeneous liquid-phase flow reactors

 when intense ___________ is required
 relatively easy to ________ good __________ control
 the _____________of reactant per volume of reactor is the smallest of
the flow reactors - very large reactors are necessary to obtain high
___________
PFR: most homogeneous gas-phase flow reactors

 relatively easy to _________
 usually produces the _________ per reactor volume (weight of catalyst if
it is a packed-bed catalyze gas reaction) of any of the flow reactors
 difficult to __________ within the reactor
 ____________ can occur

General Mole Balance Equation

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KNC3203

Chemical Reaction Process

General Mole Balance

If the system is uniform throughout its entire volume, then:

In - Out + Generation = Accumulation

Lab-Scale Typical Commercial Batch

Motor for agitation

Batch Reactor Design

If the reactor is _____________, the temperature, concentration, &

Ideal Batch Reactor

Steady State CSTR

A perfectly mixed CSTR has no ____________in reaction rate

rj is measured at the outlet Ideal Steady State

How do we determine the molar flow rate, Fj (units = mol/time)?

Ideal SS CSTR design equation in terms of concentration:

 Also called a _______ reactor

Courtesy of Autoclave Engineers of Snap-tite, Inc.

• Cylindrical _____, ________ oriented

dFj Similar to PFR, but we want to express it in terms of

So rewriting the PFR design equation in terms of ____________

PBR: FA0  FA   r dW  dNdt

The integral form to find the catalyst weight is:

The catalyst weight necessary to reduce the

CSTR: most homogeneous liquid-phase flow reactors

PFR: most homogeneous gas-phase flow reactors

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• Cylindrical _, ____ oriented