Professional Documents
Culture Documents
(Part A)
Azeman Mustafa, PhD
Kamarul Asri Ibrahim, PhD
copyright PCS-FKKKSA
Material Balance
Page 4-1
Stoichiometry
The theory of proportions in which chemical species combine
with one another.
Stoichiometric equation
SO2
O2
SO3
input output
2SO2 + 1O2 2 SO3
Stoichiometric coefficients, (vi)
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Material Balance
Page 4-2
Stoichiometric Ratio :
Ratio of stoichiometric coefficients can be used as a conversion
factor.
It can be used to calculate the amount or reactant (or product)
that was consumed (or produced) given another quantity of
another reactant or product that participated in reaction.
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Material Balance
Page 4-3
Page 4-4
1 kmol SO3
hour
80 kg SO3
1 kmol O2 reacted
2 kmol SO3 produced
10 kmol O2/hour
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Material Balance
Page 4-5
Working Session I
Consider the reaction
C4H8 +
O2
CO2 +
H2O
1.
2.
3.
4.
5.
6.
Material Balance
Page 4-6
Limiting reactant
Excess reactants
Fractional Excess
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= n - nstoic
nstoic
Material Balance
% Excess =
100 x n - nstoic
nstoic
Page 4-7
ni
nf
2SO2
= 200 mol
=
0 mol
ni
nf
= 180 mol
=
0
Limiting reactant
O2
100 mol
0 mol
100 mol
10 mol
=
SO2
2 SO3
0 mol
200 mol
0 mol
180 mol
excess reactant
= O2
% Excess of O2 = 10%
Material Balance
Page 4-8
Fractional Conversion
mol reacted
moles feed
Fractional Conversion, f =
Percentage Conversion
Example : Calculate the percentage conversion of SO2 and O2 for the following
reaction.
2SO2
ninitial
nreacted
nfinal
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= 200 mol
O2
----->
2SO3
100 mol
= ?
mol
? mol
= ?
mol
? mol
Material Balance
150 mol
Page 4-9
Extent of Reaction
Suppose we start with 100 mol of H2 , 50 mol of Br2 and 30 mol of HBr.
30 mol of H2 reacts with Br2 to form HBr.
a) Which reactant is limiting?
b) What is the percentage excess of other reactant?
c) If 30 mol of H2 reacts with Br2 to form HBr, calculate the molar
compositions of the product?
H2
Br2
? mol H2
? mol Br2
? mol HBr
100 mol H2
50 mol Br2
30 mol HBr
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2HBr
Material Balance
Page 4-10
Extent of Reaction
If 30 mol of H2 reacts with Br2 to form
product?
H2 + Br2
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Material Balance
Page 4-11
Extent of Reaction
n i = n i0 + i
where
i = + i
(products)
Example
i = i
(reactants)
i = 0
(inert)
1H2
+ 1Br2
2HBr
vH2 = -1 vBr2 = -1 vHBr = +2
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: extent of reaction
Material Balance
Page 4-12
Working Session II
The oxidation of ethylene to produce ethylene oxide proceeds according to the
equation:
2C2H4 +
O2
----->
2C2H4O
ethylene
oxygen
ethylene oxide
The feed to the reactor contains 100 kmol C2H4 and 100 kmol O2.
Material Balance
Page 4-13
Example 4.6-1
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Material Balance
Page 4-14
Example 4.6-1
100 mol
0.100 mol C3H6/mol
0.120 mol NH3/mol
0.780 mol air/mol
(0.21 mol O2/mol
0.79 mol N2/mol)
Reactor
(NH3)feed
(O2/C3H6)feed
= 12.0 mol
0.210 mol O2
mol air
Material Balance
= 1.64, O2 is in excess
= 16.4 mol
Page 4-15
Example 4.6-1
(NH3)stoich
x 100%
(O2)stoich
= (16.4 - 15.0)/15.0 x 100 = 9.3% excess O2
= 3.0
Material Balance
Page 4-16
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Material Balance
Page 4-17
n1 mol Cl2
n2 mol H2O
n3 mol HCl
n4 mol O2
n5 mol N2
y1 mol Cl2/mol
y2 mol H2O/mol
y3 mol HCl/mol
y4 mol O2/mol
y5mol N2/mol
Material Balance
Page 4-18
= 160.2 mol
V. Moles of HCl reacted (% conversion = 85%)
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Material Balance
Page 4-19
Extent of Reaction
ni = ni ,o + v i
HCl bal . n3 = 100 2
= 42.5 mol
n p = 239.5 mol
y1 =
n1
= 0.177 ,
np
y4 =
n
n4
= 0.0522 , y5 = 5 = 0.5312
np
np
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Material Balance
y2 =
n
n2
= 0.177 , y 3 = 3 = 0.0626
np
np
Page 4-20
Chemical Equilibrium
Chemical Reaction
Engineering
Chemical Equilibrium
Thermodynamics
Chemical Reaction
Kinetics
How long the system take
to reach a specified
state of equilibrium
Final equilibrium
composition
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Material Balance
Page 4-21
Chemical Equilibrium
Reversible reaction
The rates of forward and reverse reactions are identical when the equilibrium is reached.
The compositions of product and reactant do no change when the reaction mixture is in
chemical equilibrium.
y co y H 2
2
yco y H 2 O
Irreversible reaction:
= K (T )
Material Balance
Page 4-22
y co y H 2
2
yco y H 2 O
= K (T )
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Material Balance
Page 4-23
T = 1105 K
1.00 mol CO
CO
H2O
CO2
H2
y co y H 2
2
Strategy:
yco y H 2 O
= K (T ) = 1.0
Material Balance
Page 4-24
====> (1)
e2
3. yCO
= 1.00;
e = 0.667
(1.00 - e)(2.00 - e)
= 0.111; yH2O = 0.444; yCO2 = 0.222; yH2 = 0.222
= f co =
= 0.667
Page 4-25
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Material Balance
Page 4-26
Yield
(moles of desired product formed)
(moles of product formed, assuming no side
reactions and the limiting reactant is completely
reacted)
Selectivity
(moles of desired product formed)
(moles of undesired product formed)
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Material Balance
Page 4-27
ni = ni0 +
v
ij
+ ij if i is a product in reaction j
ij if i is a reactant in reaction j
v ij = 0 if i does not appear in reaction j
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Material Balance
Page 4-28
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Material Balance
Page 4-29
Working Session IV
Methane (CH4) and oxygen (O2) react in the presence of a catalyst to
form formaldehyde (HCHO). In a parallel reaction methane is oxidized
to carbon dioxide (CO2) and water (H2O) :
CH4 + O2 HCHO + H2O
CH4 + 2O2 CO2 + 2H2O
Suppose 100 mol/s of equimolar amount of methane and oxygen is fed
to a continuous reactor. The fractional conversion of methane is 0.9
and the fractional yield of formaldehyde is 0.855. Calculate the molar
composition of the reactor output stream and the selectivity of
formaldehyde production relative to carbon dioxide production.
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Material Balance
Page 4-30
n1 mol/s CH4
n2 mol/s HCHO
n3 mol/s H2O
n4 mol/s CO2
n5 mol/s O2
100 mol /s
0.5 mol CH4/mol
0.5 mol O2/mol
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Material Balance
Page 4-31
ni = ni,o +
v
ij
CH 4 bal.
n1 = 50 i j
HCHO bal. n2 = 0 + i
H 2 O bal.
n3 = 0 + i + 2 j
CO 2 bal.
n4 = 0 + j
O 2 bal.
n5 = 50 i 2 j
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.. ( 1 )
.. ( 2 )
.. ( 3 )
.. ( 4 )
..( 5 )
Material Balance
Page 4-32
i j = 0 .9( 50 ) = 45
Thus, 0 .855 = i
..... i = 42 .75 mol and j = 2 .25 mol
50
From eq. 1 , n1 = 50 0 .9( 50 ) = 5 mol/s CH 4
From eq. 2 , n2 = 42 .75 mol/s HC HO
From eq. 3 , n3 = 42 .75 + 2( 2 .25 ) = 47 .25 mol/s H 2 O
From eq. 4 , n4 = 2 .25 mol/s CO 2
From eq. 5 , n5 = 50 42 .75 2( 2 .25 ) = 2 .75 mol/s O 2
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Material Balance
Page 4-33
n2
mol HCHO
= 19 .0
n4
mol CO 2
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Material Balance
Page 4-34
Working Session V
Methane (CH4) and oxygen (O2) react in the presence of a catalyst to
form formaldehyde (HCHO). In a parallel reaction methane is oxidized
to carbon dioxide (CO2) and water (H2O) :
CH4 + O2 HCHO + H2O
CH4 + 2O2 CO2 + 2H2O
Suppose 50 mol/s of methane and 240 mol/s of air (21 mole % O2, 79%
N2) are fed to a continuous reactor. The fractional conversion of
methane is 0.9 and the fractional yield of formaldehyde is 0.855.
Calculate the molar composition of the reactor output stream and the
selectivity of formaldehyde production relative to carbon dioxide
production.
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Material Balance
Page 4-35