Material Balance Calculations: Department of Chemical Engineering

Material Balance Calculations
Department of Chemical Engineering

Based on Notes from Prof. M. Ioannidis
Outline
Single Unit in the Absence of
Chemical Reactions
Multiple Units in the Absence of
Chemical Reactions
Multiple Units in the Presence of
Chemical Reactions
1. Single Unit Analysis

An everyday example
The Process: Brewing Coffee (technical
term: leaching)
The Machinery: Coffeemaker (technical

term: solid-liquid contactor)
Process Description*
W (water)
G (Dry
Grounds)
F (Filtered
Grounds)
C (Brewed Coffee)
(*) Batch process
Stream Description
One knows everything about a stream if one
knows: its mass (or mass flow rate for
continuous processes) and its composition.
n variables needed to describe a stream with
n components. What may these variables
be?
Stream Description (contd)

Stream C (two components: WC, GC) needs
2 variables to describe it.
The 2 mass fractions: xWC and xGC are a
poor choice, because xGC + xWC = 1 (i.e.,
they are not independent). Thus, at least one
variable must be a mass (total or component
mass).
Stream Description (contd)

To describe stream D, one could use either:
the total mass D and any two mass fractions
(say, xWC and xGC), or
the mass of each component: DWC, DGC, or
any other combination, except xWC and xGC !
For example, upon finding DWC, DGC, the

mass fractions are also known:
xWC = DWC/(DWC + DGC), etc.
Process Description (contd)

W
G
WF, GF
WC, GC
Verify that if you knew G, W, E, WC,GC, WF, and GF one knows everything there
is to know about the mass and composition of all four streams.
Material Balance Equations

To determine unknowns one must solve an
equal number of independent equations that
relate them. Around a process unit
involving n components one can write at
most n independent material balance
equations:
Total balance plus n-1 component balances, or
n component balances.
Material Balance Equations (contd)

Suppose one writes:
Water balance,
W = WF + WC +E
Coffee Grounds balance, G = GC + GF
then,
Total balance (not independent): G + W = E + C + F
To solve this problem, one must have no more than
7 unknowns (because one can write at most 2
independent equations). The remaining 5 variables
must be obtained from data. Data are frequently
interpreted as extra (auxiliary) equations.
Data and Auxiliary Equations

The following equations are not material balances, they are
auxiliary equations coming from data (as they may be given in
a problem statement):
10% of H20 was lost to evaporation:
E = 0.1W,
Coffee contains 1.25% G:
GC/(GC+WC) = 0.0125,
Water to Ground ratio:
100/40 = WF/GF,
20% of the dry coffee is in the cup of coffee:
0.2*G = GC,
Total mass of C
C = GC + WC
Linear_Algebra@Work
Thus far, there are 7 independent simultaneous linear
equations in 7 unknowns (AW is directly available):
(1)G + (0)W+ (0)E + (-1)GF + (0)WF + (-1)GC + (0)WC
(0)G + (1)W+ (-1)E + (0)GF + (-1)WF + (0)GC + (-1)WC
(0)G + (-.01)W+ (1)E + (0)GF + (0)WF + (0)GC + (0)WC
(0)G + (0)W+ (0)E + (0)GF + (0)WF + (1)GC + (0)WC
(0)G + (0)W+ (0)E + (100)GF + (-40)WF + (0)GC + (0)WC
(0.2)G + (0)W+ (0)E + (0)GF + (0)WF + (-1)GC + (0)WC
(0)G + (0)W+ (0)E + (0)GF + (0)WF + (1)GC + (1)WC
=0
=0
=0
= 2.5
=0
=0
= 200
Linear_Algebra@Work (contd)
Alternatively one writes , [M]{X} = {b}, where
B CG
B CS
C CS
D CG
0.8
0.8
D CS
DW
0.01 0.99
0
0.996 0.004
0.2
0.196 0.196 0.804
CW
Solution: {X} = M-1{b}

Excel and Mathcad can both solve linear systems easily...
Advantages of Matrix Solution

Analytical clarity
Ability to investigate what-if scenarios
Convenient treatment of processes
involving many streams and many
components
2. Multiple Unit Analysis
Two-distillation column
process to separate benzene
(B), toluene (T) and xylene
(X).
First column produces
overhead product containing
mostly B.
Second column produces
overhead product containing
mostly T and bottom product
containing mostly X.
All chemicals (B,T,X) are
present in all streams.
One Methodology
A
Pretend that you have

no data.
Then give a unique
name to each stream.
F
1
One Methodology (contd)

Recall that each stream
AB, AT, AX
has 3 components
each stream is fully
described by 3 variables.
FB, FT, FX
Lets use component
mass flows to describe
1
them.
There is a total of 15
unknowns (remember,
CB, CT, CX
one pretends one has no
data!)
DB, DT, DX
EB, ET, EX

Recall that around each
AB, AT, AX
unit one can write as many
independent mass balances
as the number of
components involved, that FB, FT, FX
is 3 balances.
1
For unit 1:
[1]: FB = AB + CB (B-balance)
[2]: FT = AT + CT (T-balance)
[3]: FX = AX + CX (X-balance)
DB, DT, DX
CB, CT, CX
EB, ET, EX

For unit 2:
[4]: CB = DB + EB (B-balance)
[5]: CT = DT + ET (T-balance)
[6]: CX = DX + EX (X-balance)
Total of 6 independent
mass balances
Anything more (e.g.,
overall balance for B):
FB = AB + DB + EB
is redundant (to see this

add equations [1] and [4]!)
AB, AT, AX
DB, DT, DX
FB, FT, FX
1
CB, CT, CX
EB, ET, EX

Observe that without data
AB, AT, AX
one cannot proceed,
because there is 6
equations and 15
unknowns!
FB, FT, FX
Data can be translated into
1
auxiliary equations; one
needs 9 such equations and
one wants them to be
CB, CT, CX
independent!
Suppose they give only the
composition of stream A...
DB, DT, DX
EB, ET, EX

AB, AT, AX
Knowledge of stream A
DB, DT, DX
composition allows us to write
(4%B, 91%T, 5%X)
no more than 2 auxiliary
equations, e.g.,
[7] AB/(AB+AT+AX) = 0.04
[8] AT/(AB+AT+AX) = 0.91
FB, FT, FX
The following would not be
1
2
independent (why?)
AX/(AB+AT+AX) = 0.05
Generalize: knowing the
CB, CT, CX
composition of a stream of n
components affords us n-1
EB, ET, EX
auxiliary equations.

Knowledge of the composition of
streams F and D would give 4
additional auxiliary equations:
AB, AT, AX
DB, DT, DX
(4%B, 91%T, 5%X) (4.3%B, 91.2%T, 4.5%X)
FB, FT, FX
(35%B, 50%T, 15%X)
[9]
[10]
[11]
[12]
DB/(DB+DT+DX) = 0.043
DT/(DB+DT+DX) = 0.912
FB/(FB+FT+FX) = 0.35
FT/(FB+FT+FX) = 0.50
CB, CT, CX
EB, ET, EX

AB, AT, AX
A basis provides one more

auxiliary equation, e.g.:
[13] FB+FT+FX = 100
DB, DT, DX
(4%B, 91%T, 5%X) (4.3%B, 91.2%T, 4.5%X)
FB, FT, FX
(35%B, 50%T, 15%X)
The last two auxiliary equations

may come from knowing that
stream E contains 10% of B in
the feed and 93.3% of X in the
feed:
[14] EB = 0.1FB
[15] EX = 0.933FX
CB, CT, CX
EB, ET, EX

Think: Why do one prefer to work with component
mass flows as our stream variables, e.g., CB, CT and
CX for stream C, and not with total mass flow and
mass fractions (e.g., C, xCB and xCT) ?

AB, AT, AX
DB, DT, DX
Suppose we used C, xCB and xCT
to describe stream C. Then, the
(4%B, 91%T, 5%X) (4.3%B, 91.2%T, 4.5%X)
mass balances for, say, unit 2
would be:
FB, FT, FX
(35%B, 50%T, 15%X)
CxCB = DB + EB (for B)
CxCT = DT + ET (for T)
1
C(1-xCT-xCB)= DX + EX (for X)
This formulation would result

in non-linear equations
which are more difficult to
solve!
C, xCT, xCB
EB, ET, EX
3. Single Unit Balance with

Reaction
A (NH3)
B (Air: O2, N2)
4NH3 + 5O2 4NO + 6H2O

C (O2, N2, NO,
NH3, H2O)
NOTE: Since no data are available at this stage, one must

assume that all reactants and products are present in the
effluent stream (8 stream variables)
Mass balances using the extent of

reaction...
If
X is the number of ammonia moles that reacted:

Ammonia:
CNH3 = ANH3 - X
Nitrogen monoxide: CNO = X
Oxygen:
CO2 = BO2 - (5/4)X
Nitrogen:
CN2 = BN2
Water:
CH2O = (6/4)X
To the 8 stream variables one must add the extent of
reaction, i.e., one has 9 unknowns and 5 equations
from mass balances (one for each chemical species)
Auxiliary equations from data...

In addition to the 8 stream variables, the extent of reaction is
a also an unknown, i.e., one has 9 unknowns and only 5
equations from mass balances (one for each of the 5
chemical species). One needs 4 auxiliary equations
before the problem can be solved. These may be:
One from the basis: e.g., 100 mol of NH3 feed
One from the composition of stream B (why not two?)
One from knowledge of NH3 fractional conversion
One from knowledge of the percent excess air

Material Balance Calculations: Department of Chemical Engineering

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Material Balance Calculations

Department of Chemical Engineering

1. Single Unit Analysis

The Machinery: Coffeemaker (technical

Stream Description (contd)

Stream Description (contd)

For example, upon finding DWC, DGC, the

Process Description (contd)

Material Balance Equations

Material Balance Equations (contd)

Data and Auxiliary Equations

0.196 0.196 0.804

Solution: {X} = M-1{b}

Advantages of Matrix Solution

2. Multiple Unit Analysis

Pretend that you have

One Methodology (contd)

One Methodology (contd)

One Methodology (contd)

is redundant (to see this

One Methodology (contd)

One Methodology (contd)

One Methodology (contd)

(4%B, 91%T, 5%X) (4.3%B, 91.2%T, 4.5%X)

One Methodology (contd)

A basis provides one more

(4%B, 91%T, 5%X) (4.3%B, 91.2%T, 4.5%X)

The last two auxiliary equations

One Methodology (contd)

One Methodology (contd)

This formulation would result

3. Single Unit Balance with

B (Air: O2, N2)

4NH3 + 5O2 4NO + 6H2O

NOTE: Since no data are available at this stage, one must

Mass balances using the extent of

X is the number of ammonia moles that reacted:

Auxiliary equations from data...

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