Chemical Engineering

Fundamentals
SEC.4-MATERIAL BALANCE ON REACTIVE SYSTEMS
Material Balance on Reactive Systems
For Steady State Reactive Systems, the total mass of the inlet streams will always be equal to the
total mass of the outlet streams, while the total number of moles of both streams are not
necessarily equal.

INPUT + GENERATED – ( OUTPUT + CONSUMED) = ACCUMULATION

This equation is always used for number of moles not mass.
Material Balance on Reactive Systems
Limiting reactant: This is the reactant which is present in the least stoichiometric amount and
thus disappears first.

− Number of moles of component i in the feed

αi =
stoichometric coeffecient of component (i)

Actual Amount − Theoretical Amount

% Excess = × 100%
Theoretical Amount
Material Balance on Reactive Systems
Degree of conversion:
moles of reactant i In−moles of reactant i Out
xi =
moles of reactant i In

• In any problem, if you were given the conversion of the reaction without mentioning whose
reactant this conversion is, this means that this is the conversion of the limiting reactant.
• In any problem, if you were given a conversion of a specific reactant, this doesn’t mean that this
reactant is the limiting reactant.
Material Balance on Reactive Systems
Rate of reaction:
N
r = −x. fቚ limiting reactant
σi

Ni|out = Ni|in + σir

Ni|reacted = σi r
Problem 1
The combustion of C3H6 to CO2 and H2O can be described by either the reaction:
C3H6 + 9/2 O2 → 3 CO2 + 3 H2O
Or can be described by the reaction:
2 C3H6 + 9 O2 → 6 CO2 + 6 H2O
Suppose that 20 mole/h C3H6 had reacted with 100 mole/h of O2. Complete conversion of C3H6
takes place. Calculate the rates of the reaction obtained with each reaction. Explain how the two
rates are related and why?
Problem 1
C3H6 + 9/2 O2 → 3 CO2 + 3 H2O
20 100
αA = = 20 αB = = 22.22
1 4.5
20
r1 = −1 × = 20 mole/h
−1

2 C3H6 + 9 O2 → 6 CO2 + 6 H2O

20 100
αA = = 10 αB = = 11.11
2 9
20
r2 = −1 × = 10 mole/h
−2

r1 = 2 × r2 since the stoichiometric coefficients in reaction 2 are double that in reaction 1, so

that their products (σr) are the same in either case.
Problem 2
Consider the reaction:
3 C2H5OH + 2 Na2Cr2O7 + 8 H2SO4 → 3 CH3COOH + 2 Cr2 (SO4)3 + 2 Na2SO4 + 11 H2O
a) If a reaction feed has the composition (mol %) of 18% C2H5OH, 21% Na2Cr2O7, and the rest is
H2SO4, which is the limiting reactant?
b) If the reactor is fed 190 kg/h C2H5OH, what feed rates of the other two reactants would be
required to have a stoichiometric feed mixture?
Problem 2
a) 3 C2H5OH + 2 Na2Cr2O7 + 8 H2SO4 → 3 CH3COOH + 2 Cr2 (SO4)3 + 2 Na2SO4 + 11 H2O
Assume Basis: 100 mol
18 21 61
αC2H5OH = = 6 (LR) αNa2Cr2O7 = = 10.5 αH2SO4 = = 7.625
3 2 8

b) mሶ C2H5OH = 190 kg/h Mwt = 46 NC2H5OH = 4.13 kmol/h

2
NNa2Cr2O7 = 4.13 × = 2.75 kmol/h × 262 = 720.5 kg/h
3
8
NH2SO4 = 4.13 × = 11.01 kmol/h × 98 = 1078.98 kg/h
3
Problem 3
A reactor is fed an equimolar mixture of chemicals A, B, and C to produce the product D via the
reaction:
A + 2B + 3/2 C → 2D + E
If the conversion in the reactor is 55%, calculate the number of moles of D produced per mole of
reactor feed.
Problem 3
Assume Basis: 300 mol of the feed
NA = NB = NC = 100 mol
100 100 100
αA = = 100 αB = = 50 (LR) αC = = 66.67
1 2 1.5

A +2B +3/2 C → 2D +E
In 100 100 100
Reacted 27.5 55 41.25 55 27.5
Out 72.5 45 58.75 55 27.5

55
ND produced / mol of Feed = 300 = 0.183 moles
Problem 4
A reaction with stoichiometric equation:
A+3B → 2C
is carried out with 20% conversion of A. the reactor feed stream contains 25% A and 75% B by
weight and has a rate of 1000 kg/h. If the molecular weight of A is 28 and that of B is 2,
calculate:
• The molecular weight of C, what does this mean in terms of balancing chemical reactions?
• The composition of the exit stream on a weight basis.
Problem 4
mA = 250 kg/h NA = 8.929 kmol/h A +3B → 2C
mB = 750 kg/h NB = 375 kmol/h In 8.93 375
reacted 1.79 5.37 3.58
Total mass In = Total mass Out
Out 7.14 369.63 3.58
1000 = 7.14 × 28 + 369.64 × 2 + 3.58 × MC MC = 17 g/mol

Exit Gas Composition: mA = 7.14 × 28 = 199.92 kg/h (20%)

mB = 369.63 × 2 = 739.26 kg/h (73.9%)
mC = 3.58 × 17 = 60.86 kg/h (6.1%)
Material Balance on Reactive Systems
Selectivity is the ratio of the number of moles of the desired product to the number of moles of
the undesired product.
Yield is the ratio of the number of moles of the desired product to the number of moles of the
desired product at 100% conversion with no side reactions.

When calculating DOF for a reactive system:

◦ Each reaction rate is considered a process variable
◦ selectivity, yield, and conversion are considered additional relations.
Problem 5
Ethanol is produced commercially by the hydration of ethylene:
C2H4 + H2O → C2H5OH
Some of the product is converted to diethyl ether in the side reaction
2C2H5OH → (C2H5)2O + H2O
The feed to a reactor contains ethylene and steam in a 3:2 mole ratio, and 10 mole% inerts. The
fractional conversion of ethylene is 5% and the selectivity of ethanol production relative to ether
production is 18 mol/mol. Perform the degrees of freedom of this operation, then calculate the
molar composition of the reactor output stream, and the yield of the ethanol.
Problem 5
ndof = (8+2)-5-1-3 = 1 under specified
(1) (2)
Assume basis: 100 gmol Reactor
C2H4 C2H5OH
I1 = 10 gmol C2H4)1 = 54 gmol H2O)1 = 36 gmol H2O (C2H5)2O
10% I C2H4
H2O
C2H4 H2O C2H5OH I

In 54 36 • C2H4 + H2O → C2H5OH

• 2C2H5OH → (C2H5)2O + H2O
Reacted 2.7 2.7 2.7
• ethylene and steam in a 3:2 mole ratio
Out 51.3 33.3 2.7
• conversion of ethylene is 5%
• selectivity of C2H5OH production relative to (C2H5)2O
production is 18 mol/mol
Problem 5
2C2H5OH (C2H5)2O H2O
In 2.7 33.3

Reacted 2h h h

Out 2.7-2h h 33.3+h

2.7−2h Molar Compositions of output

= 18 h=0.135 NT = 36+51.3+10 = 97.3 moles streams:
h
2.43 C2H5OH = 2.5%
yield = ∗ 100 = 6.75% (C2H5)2O = 0.14%
36
C2H4 = 52.72%
H2O = 34.36 %
I = 10.28%
Problem 6
Sodium hypochlorite is formed according to the reaction
2 NaOH + Cl2 → NaOCl + NaCl + H2O
in a continuous reactor by bubbling Cl2 through a concentrated 40% (mass) NaOH solution.
Suppose the solution of NaOH in H2O is fed at 1000 kg/hr and the Cl2 gas at 10 kgmol/h.
a) Calculate the degree of freedom assuming the conversion is specified.
b) Determine which the limiting reactant is.
c) Calculate the outlet composition of the reactor assuming 100% conversion of the limiting
reactant.
d) Calculate the outlet composition of the reactor assuming 65% conversion of the limiting
reactant.
Problem 6
2 NaOH + Cl2 → NaOCl + NaCl + H2O (1) (3)
Reactor
a) ndof = 9 – 5 – 3 – 1 = 0 well specified 1000 kg/h NaOCl
kg
400 600
kg 40% NaOH NaCl
kmol kmol
b) Feed: NaOH = h
40
= 10
h
H2O =
18
h
= 33.33
h 60% H2O H2O
(2) NaOH
10 kmol/h
10 10
Cl2
Cl2
αNaOH = = 5 (LR) αCl2 = = 10
2 1

c)
2 NaOH Cl2 NaOCl NaCl H2O NT = 53.33 kmol/h
In 10 10 33.33 Molar Compositions:
NaOCl = 9.38%
Reacted 10 5 5 5 5
NaCl = 9.38%
Out 0 5 5 5 38.33 H2O = 71.87 %
Cl2 = 9.38%
Problem 6
d) 2 NaOH Cl2 NaOCl NaCl H2O
In 10 10 33.33
Reacted 6.5 3.25 3.25 3.25 3.25
Out 3.5 6.75 3.25 3.25 36.58

NT = 53.33 kmol/h

Molar Compositions:
NaOH = 6.56 %
NaOCl = 6.09 %
NaCl = 6.09 %
H2O = 68.59 %
Cl2 = 12.66%
Recycling
Benefits of recycling: Increasing the overall conversion, Recovery of catalysts and reagents,
Recycling of the unreacted reactants, Saving money
input reactant moles to the reactor −output reactant moles out of the reactor
Single pass conversion =
input reactant moles to the reactor

input reactant moles to the process −output reactant moles out of the process
Overall conversion =
input reactant moles to the process

Recycle Stream

Fresh Feed Product Stream

Reactor Separator
Combined Effluent
Feed Stream
Problem 7
Acetic acid can be produced via the reaction
3 C2H5OH + 2 Na2Cr2O7+ 8 H2SO4 → 3 CH3COOH + 2 Cr2 (SO4)3 + 2 Na2SO4 + 11 H2O
This reaction is carried out in a recycle system with 88% overall conversion of C2H5OH. The recycle
flow is equal to the feed rate of fresh C2H5OH. The feed rates of fresh H2SO4 and Na2Cr2O7 are 22 and
9%, respectively, in excess of the stoichiometric amounts required for the fresh C2H5OH feed. If the
recycle stream contains 94% H2SO4 and the rest C2H5OH, calculate the product flow and the
conversion of C2H5OH in the reactor.
6% C2H5OH
(2) 94% H SO
2 4

(1) (3) (4) (5)

M Reactor Separator
C2H5OH C2H5OH All 7
All 7 components
Na2Cr2O7 Na2Cr2O7 components
H2SO4 H2SO4
 6% C2H5OH
(2) 94% H2SO4

(1) (3) (4) (5)

Problem 7 C2H5OH
Na2Cr2O7
M
C2H5OH
Na2Cr2O7
Reactor
All 7
components
Separator
All 7
components
H2SO4 H2SO4

• 3 C2H5OH + 2 Na2Cr2O7+ 8 H2SO4 → 3 CH3COOH + 2 Cr2 (SO4)3 + 2 Na2SO4 + 11 H2O

• F2 = (C2H5OH)1
• 88% overall conversion of C2H5OH
• The feed rates of fresh H2SO4 and Na2Cr2O7 are 22 and 9%, in excess of the stoichiometric
amounts required for the fresh C2H5OH feed

Mixer Reactor Separator Overall Process Under specified

Assume Basis: (C2H5OH)1 = 300 moles
nv 8 10+1 16 10+1 22+1
(Na2Cr2O7)1 = 300*2/3*1.09 = 218 moles
ne 3 7 7 7 17
ngv 1 0 1 0 1 (H2SO4)1 = 300*8/3*1.22 = 976 moles
nAR 3 0 0 3 4
ndof 1 4 8 1 1
Problem 7
Overall
3C2H5OH 2Na2Cr2O7 8H2SO4 3CH3COOH 2Cr2 (SO4)3 2Na2SO4 11H2O
In 300 218 976
Reacted 264 176 704 264 176 176 968
Out 36 42 272 264 176 176 968

F5 = 1934 moles
F2 = (C2H5OH)1 = 300 moles
(C2H5OH)2 = 18 moles , (H2SO4)2 = 282 moles
Problem 7
Mixer:
CMB on Na2Cr2O7 : (Na2Cr2O7 )1 = (Na2Cr2O7 )3 = 218 moles
CMB on H2SO4: (H2SO4)3= 976+282 = 1258 moles
CMB on C2H5OH: (C2H5OH)3= 300 + 18 = 318 moles
Separator:
CMB on C2H5OH: (C2H5OH)4= 36+18 = 54 moles
318−54
Reactor conversion = ∗ 100 = 83%
318
Problem 8
The reaction 2A + 5B → 3C + 6D
is carried out in a reactor with 60% conversion of B. Most of the unreacted B is recovered in a
separator and recycled to the reactor (the recycle stream is pure B). The fresh feed to the
reactor consists of A and B, with the fresh A being 32% in excess of the stoichiometric amounts
required to react with the fresh B. if the overall conversion of B in the process is 96%, calculate
the product and the recycle flow rates required to produce 250 mol/h C.
(2) B

(1) (3) (4) (5)

M Reactor Separator
A A A A
B B
B B C 250 mol/h C
D D
 Problem 8
(2) B
Mixer Reactor Separator Overall Process

nv 5 6+1 9 6+1 13+1

(1) (3) (4) (5)
ne 2 4 4 4 10 M Reactor Separator
A A A A
ngv 0 0 1 1 1 B B
B B
nAR C 250 mol/h C
1 1 0 2 3
D D
ndof 2 2 4 0 0

• 60% conversion of B
• fresh A being 32% in excess
• overall conversion of B in the process is 96%
Problem 8
2A + 5B → 3C + 6D (2) B

Overall:
(1) (3) (4) (5)
CMB on C: C5 = C1 + 3r r=83.33 gmol/h M Reactor Separator
A A A A
= 0.96*B1/5 B B
B B
C 250 mol/h C
B1 = 434.01 gmol/h A1 = 434.01*2/5 *1.32 D D
= 229.16 gmol/h
CMB on D: D5 = D1 + 6r D5= 499.98 gmol/h
CMB on B: B5 = B1-5r B5= 17.36 gmol/h
CMB on A: A5 = A1 – 2r A5= 62.5 gmol/h
Problem 8
(2) B
Reactor:
r=0.6*B3/5 B3= 694.42 gmol/h
(1) (3) (4) (5)
CMB on B: B4= B3 -5r = 277.77 gmol/h M Reactor Separator
A A A A
Mixer: B B
B B
C 250 mol/h C
CMB on A: A1=A3= 229.16 gmol/h
D D
CMB on B: B1+B2=B3 B2 = 260.41 gmol/h
Separator:
CMB on A: A4=A5= 62.5 gmol/h
CMB on C: C4=C5=250 gmol/h F4= 1090.25 gmol/h
CMB on D: D4=D5=499.98 gmol/h F5= 829.84 gmol/h
Problem 9
Methyl iodide can be produced by reacting hydro-iodic acid with an excess methanol via the reaction:
HI + CH3OH → CH3I + H2O
A typical process for the production of methyl iodide is indicated in the following figure, the process
conditions are:
a) The feed to the reactor contains 2.1
CH3I 0.82
moles CH3OH per 1 mol HI. CH3OH 0.18
CH3OH 7

b) 50% conversion of HI is obtained in

the reactor. 3

Separator

Separator
1 2 4 5 6 H2O
c) 90% of the H2O entering the first Reactor CH3OH

2
separator leaves in stream 5. HI 0.05 H2O

d) All compositions are in molar basis.

8
10 9
How many moles of CH3I are produced H2O
HI
per mole of fresh HI feed?
 Problem 9
Mixer Reactor Sep 1 Sep 2 Splitter Overall Process
nv 5 7+1 9 7 6 8+1 21+1
ne 2 4 4 3 2 4 15
ngv 1 1 0 1 0 1 2
nAR 0 2 1 0 1 0 4 CH3I 0.82
7 CH3OH 0.18
CH3OH
ndof 2 1 4 3 3 4 1
3
a) CH3OH)3/HI)2 =2.1

Separator

Separator
1 2 4 5 6 H2O
Reactor CH3OH

2
b) 50% conversion of HI is obtained in the reactor. HI 0.05 H2O HI CH3OH
CH3OH CH3I
H2O HI CH3I H2O
c) H2O)5=0.9 H2O)4 HI
H2O H2O
8
HI
10 9 H2O
HI
Problem 9
HI + CH3OH → CH3I + H2O CH3I 0.82
7 CH3OH 0.18
Assume Basis: F2 =100 gmol CH3OH

H2O)2=5 gmol, HI)2= 95 gmol, CH3OH)3=199.5 gmol 3

Separator

Separator
1 2 4 5 H2O
6
r=0.5*95/1=47.5 gmol Reactor CH3OH

2
HI 0.05 H2O HI CH3OH
CH3OH CH3I
Reactor: H2O HI CH3I H2O
HI H2O
H2O
HI)4 = HI)2-r = 47.5 gmol 8 HI
10 9 H2O
HI
CH3OH)4= CH3OH)3-r =152 gmol
H2O)4 = H2O)2 +r = 52.5 gmol
CH3I)4= r =47.5 gmol
Problem 9
CH3I 0.82
Separator 1: 7 CH3OH 0.18
CH3OH

CH3OH)4= CH3OH)5=152 gmol

3
CH3I)4= CH3I)5= 47.5 gmol

Separator

Separator
1 2 4 5 H2O
6
Reactor CH3OH

2
H2O)4= H2O)5+ H2O)8 HI 0.05 H2O HI CH3OH
CH3I
CH3OH
H2O HI H2O
CH3I
H2O)5=0.9 H2O)4 = 47.25 gmol HI
H2O H2O
8 HI
10 9
H2O)8 =5.25 gmol H2O
HI

HI)4 = HI)8= 47.5 gmol F8=52.75 gmol

HI)8= 90%
H2O)8= 10%
Problem 9
CH3I 0.82
Separator 2: 7 CH3OH 0.18
CH3OH

H2O)5= H2O)6 = 47.25 gmol

3
CH3I)5= CH3I)7 = 47.5 gmol

Separator

Separator
1 2 4 5 H2O
6
Reactor CH3OH

2
CH3OH)7 = 47.5 *0.18/0.82 HI 0.05 H2O HI CH3OH
CH3I
CH3OH
H2O HI H2O
CH3I
= 10.43 gmol HI
H2O H2O
8 HI
10 9
CH3OH)5= CH3OH)6 + CH3OH)7 H2O
HI

CH3OH)6 = 141.57 gmol

Problem 9
CH3I 0.82
Mixer: 7 CH3OH 0.18
CH3OH
H2O)2= H2O)10 = 5 gmol HI)10=5*0.9/0.1 = 45 gmol
3
HI)1 + HI)10 = HI)2 HI)1 = 50 gmol

Separator

Separator
1 2 4 5 H2O
6
Reactor
Splitter: CH3OH

2
HI 0.05 H2O HI CH3OH
CH3OH CH3I
H2O
H2O)8= H2O)10+ H2O)9 HI
HI CH3I H2O
H2O H2O
8 HI
H2O)9 = 0.25 gmol 10 9 H2O
HI
HI)8 = HI)9 + HI)10
HI)9=2.5 gmol

CH3I)7 /HI)1=0.95
Problem 10
Product P is produced from reactant R according to the reaction
2R → P+W
Unfortunately, the reactant decompose to form by-product B according to the reaction
2R → B+W
When a process feed consisting of 1 part inert I to 11.5
parts R is used and the recycle rate is adjusted to obtain
8
a reactor feed R mole fraction of 0.5, a 95% conversion I
R
7
of R in the plant and an 82% yield of P from R for the 2
plant are observed.
1 3 5
a) Construct a degree-of-freedom table for the
I I
process shown in the figure. Is the process correctly R I R
specified? R 0.5 4 P

b) Solve the problem. B

6
W P
 Problem 10
Mixer Reactor Separator Splitter Overall Process 8 I
7 R
2
nv 6 7+2 6 6 7+2 16+2
ne 2 5 3 2 5 12 1 3 5
I I
ngv 1 1 0 0 0 1 R I R
R 0.5 4 P
nAR 1 0 0 1 3 4
B
6
ndof 2 3 3 3 1 1 W P

Under specified R1/I1=11.5

Assume Basis: R1=115 gmol I1=10 gmol Conv. Overall=95%
0.95=(115-R8)/115 R8= 5.75 gmol Yield overall=82%
0.82=P6/(0.5*115) P6=47.15 gmol
Problem 10
Overall: 8 I
7 R
R8=R1-2r1-2r2 r1+r2=54.625 2

P6=r1= 47.15 gmol r2= 7.475 1 3 5

I I
B4=r2=7.475 gmol R I R
R 0.5 4 P
W4= r1+r2= 54.625 gmol
B
6
P
I1=I8=10 gmol W

F8= 15.75 gmol

2R → P+
R8=36.5%, I8=63.5% W
2R → B
+W
Problem 10
Mixer:
8 I
10+I2=I3 10+0.635 F2=0.5 F3 7 R
2
115+R2=R3 115+0.365 F2=0.5 F3
1 3
F2=388.89 gmol, I2=246.94 gmol, R2= 141.94 gmol 5
I I
F3= 513.89 gmol, I3= 256.945 gmol, R3= 256.945 gmol R I
R 0.5 4
R
P
Splitter:
B
6
I7=I2+I8= 256.94 gmol W P

R7=R2+R8=147.69 gmol
Reactor: 2R → P+
W
R5=R3-2r1-2r2= 147.695 gmol
2R → B
P5=r1= 47.15 gmol +W
I5=I3= 256.945 gmol
Problem 11
Most modern processes for production of nitric acid are based on the sequential oxidation of
ammonia to oxides of nitrogen followed by absorption of these intermediates in water. Ammonia and
air are mixed in a 1:10 molar ratio and reacted catalytically in a first stage reactor. The two reactions
occurring are the main reaction: 4 NH3 + 5 O2 → 4 NO + 6 H2O
And the secondary reaction: 2 NH3 + 3/2 O2 → N2 + 3 H2O
All of the NH3 is converted with 96% yield to NO. In a second reactor stage, all of the NO produced is
further oxidized to NO2 via the reaction: NO + 1/2 O2 → NO2
Finally, the second reactor effluent is further treated in a scrubber with water to produce the desired
60% HNO3 product. The scrubber reaction is: 2 NO2 + 1/2 O2 + H2O → 2 HNO3
The waste gas from the scrubber contains 0.3% NO2 and about 12% H2O. The air composition may be
taken as 21% O2 and 79% N2. Assuming all compositions are in mol%, calculate the compositions of all
streams in the process, and find the ammonia requirements per 100 kmol/h of HNO3 product.
 Problem 11 H2O
(5) (6)
0.3% NO2
12% H2O
(2) Scrubber N2
21% O2 (4)
(3) O2
79% N2
(1) Reactor1 Reactor2
O2 O2 (7)
NH3
N2 N2 100 kmol
NO NO2 40% H2O
H2O H2O 60% HNO3
Reactor Reactor
Scrubber Overall Process 4 NH3 + 5 O2 → 4 NO + 6 H2O
1 2
2 NH3 + 3/2 O2 → N2 + 3 H2O
nv 7+2 8+1 11+1 10+4 18+4 NO + 1/2 O2 → NO2
ne 5 5 5 6 15 2 NO2 + 1/2 O2 + H2O → 2 HNO3
ngv 1 0 4 5 5
Yield NO=96%
nAR 2 0 0 1 2 NH3)1:Air)2 =1:10
ndof 1 4 3 2 0 Well specified
Problem 11 H2O
(5) (6)
0.3% NO2
12% H2O
(2) Scrubber N2
21% O2 (4)
(3) O2
79% N2
(1) Reactor1 Reactor2
O2 O2 (7)
NH3
N2 N2 100 kmol
NO NO2 40% H2O
H2O H2O 60% HNO3
Relocation of Basis: F1=100 kmol, O2)2=210 kmol, N2)2=790 kmol
Reactor 1: 0.96=NO)3/100 NO)3= 96 kmol =4 r1 r1 = 24 kmol
100% = (4 r1 + r2 )/100 r2= 2 kmol
4 NH3 + 5 O2 → 4 NO + 6 H2O
O2)3=210-5*r1-3/2*r2 = 87 kmol 2 NH3 + 3/2 O2 → N2 + 3 H2O
N2)3 = 790+ r2 = 792 kmol NH3)1:Air)2 =1:10
Conv NH3 =100%
H2O)3 = 6*r1+3*r2 = 150 kmol
Problem 11 H2O
(5) (6)
0.3% NO2
12% H2O
(2) Scrubber N2
21% O2 (4)
(3) O2
79% N2
(1) Reactor1 Reactor2
O2 O2 (7)
NH3
N2 N2 100 kmol
NO NO2 40% H2O
H2O H2O 60% HNO3

Reactor 2: 100% = r3/96 r3= 96 kmol

NO2)4= r3 = 96 kmol
O2)4 = 87- 0.5* r3 = 39 kmol NO + 1/2 O2 →
NO2
N2)4 = N2)3= 792 kmol
Conv. NO =100%
H2O)4= H2O)3 = 150 kmol
 Problem 11 H2O
(5) (6)
0.3% NO2
12% H2O
(2) Scrubber N2
21% O2 (4)
(3) O2
79% N2
(1) Reactor1 Reactor2
O2 O2 (7)
NH3
Scrubber: N2 N2 100 kmol
NO NO2 40% H2O
NO2)6 = 96 – 2 r4 = 0.003 F6 H2O H2O 60% HNO3
O2)6 = 39- 0.5 r4 HNO3)7=2*r4 =93.24 kmol

N2)6=792 kmol H2O)7= 62.16 kmol 2 NO2 + 1/2 O2 + H2O → 2 HNO3

N2)6+ O2)6 =0.877 F6 F7= 155.4 kmol

r4= 46.62 kmol, F6= 921 kmol H2O)7+ H2O)6= H2O)5+ H2O)4 –r4

NO2)6= 2.76 kmol, O2)6= 15.69 kmol H2O)5 = 69.3 kmol

F1) actual = 100 *100/155.4 = 64.3 kmol
N2)6= 792 kmol, H2O)6= 110.52 kmol
Problem 12
5
Benzene can be produced by the dealkylation of Pure H2 CH4 10
toluene following the reaction make-up H2 7
Pure Toluene Purge
2
C6H5CH3 + H2 → C6H6 + CH4 feed

Separator
1 3 6 9
Reactor
This catalytic reaction is, however, accompanied by

1
P
Pure
the side reaction Benzene

2 C6H5CH3 + H2 → (C6H5)2 + 2 CH4 8

producing the undesirable by-product diphenyl.

Separator
Pure Toluene recycle 4 11

2
Pure
Because of this side reaction, the conversion of toluene must be kept below 100% and a series of Diphenyl

separations with recycle of unused reactants must be instituted. In the flow sheet down, with a reactor
feed (stream 3) containing 4.8 moles H2 per 1 mole toluene, 80% conversion of toluene is attained.
Assume that the outlet stream 6 contains 6% benzene and 2.7% toluene, calculate the fractional yield
of benzene in the reactor and the make-up H2 requirements per mole toluene fed.
 Problem 12
M
C6H5CH3 + H2 → C6H6 + CH4 5 H2
Pure H2 CH4 10
2 C6H5CH3 + H2 → (C6H5)2 + 2 CH4 make-up H2 7
Pure Toluene Purge
feed 2
H2: T)3= 4.8

Separator
1 3 6 9
Reactor

1
Conv. T= 80% P T 2.7% T Pure
M M Benzene
H2 H2 8
Mixer Reactor Sep 1 Sep 2 Splitter Overall Process 6% B
D

Separator
nv 8 8+2 10 4 6 6+2 21+2 Pure Toluene recycle 4 11

2
ne 3 5 5 2 2 5 17 Pure
Diphenyl
ngv 0 2 2 0 0 0 2
nAR 1 2 0 0 1 0 3
ndof 4 1 3 2 3 3 1 Under specified
Problem 12 M
5 H2
Assume Basis: T3=100 gmol, H2)3=480 gmol Pure H2 CH4 10
make-up H2 7
Reactor: Pure Toluene
2
Purge
feed

Separator
0.8=(100-T6)/100 T6=20 gmol F6= 740.74 gmol 1 3
Reactor
6 9

1
P T 2.7% T Pure
B6= 44.44 gmol M M Benzene
H2 H2 8
Yield= 44.44/100 *100 = 44.44% 6% B
D

Separator
Pure Toluene recycle
T6= T3-r1-2*r2 r1+2*r2=80 4 11

2
Pure
B6= r1=44.44 gmol r2=17.78 gmol Diphenyl

H2)6 =480 -r1-r2 = 417.78 gmol C6H5CH3 + H2 → C6H6 + CH4

2 C6H5CH3 + H2 → (C6H5)2 + 2 CH4
D6 =r2= 17.78 gmol M6= 240.78 gmol H2: T)3= 4.8
M6=M3+r1+2*r2 M3 = 160.78 gmol Conv. T= 80%
 Problem 12 5
M
H2
Pure H2
Separator 1: make-up
CH4
H2 7
10

Pure Toluene Purge

T6=T8=20 gmol feed 2

Separator
1 3 6 9
D6=D8= 17.78 gmol Reactor

1
P T 2.7% T Pure
M M Benzene
B6=B9=44.44 gmol H2 H2 8
6% B
H2)6= H2)7 =417.78 gmol D

Separator
Pure Toluene recycle 4 11
M6 =M7=240.78 gmol F7= 658.56 gmol H2)7=63.44%, M7=36.56%

2
Pure
Diphenyl
Separator 2: Mixer:
H2)2+H2)5 = H2)3 H2)2 = 201.01 gmol
T8=T4= 20 gmol T1+T4=T3 T1= 80 gmol
H2)2/T1 = 2.51
D8=D11= 17.78 gmol M5=M3= 160.78 gmol
Splitter: H2)7= H2)5+ H2)10 H2)10= 138.79 gmol
H2)5=160.78*63.44/36.56 =278.99
gmol M7= M5+M10 M10=80 gmol
 Problem 13
Ethylene oxide (EO) is produced by the partial oxidation of ethylene with oxygen using silver catalyst:
2 C2H4 + O2 → 2 C2H4O
An undesirable reaction also occurs: C2H4 + 3 O2 → 2 CO2 + 2 H2O

With a reactor inlet composition of 10% C2H4, 11% O2, 1% CO2, and the rest N2 inert diluent, 25% conversion is observed
and the reactor outlet stream is found to contain 2 moles CO2 per 1 mol H2O. The ethylene oxide is removed from the
stream leaving the reactor by means of an absorber. The overhead gases from the absorber are found to contain 6 moles
Ethylene per 1 mole CO2. The EO containing liquid (4% EO) from the absorber is sent to steam stripper. The product
(stream 12) analyzes 25% EO. Part of the gases from the absorber is purged and the remainder is recycled to the reactor.

a) Construct a degree of freedom table and show that the process is correctly specified.
b) Deduce a calculation order assuming all flows and compositions are to be calculated.
c) Calculate the diluent N2 required per mole of ethylene fed to the process.
d) Calculate the overall yield of EO from ethylene in the process. Calculate the fractional yield of EO in the reactor.
Explain why these are different.
 Problem 13
2 C2H4 + O2 → 2 C2H4O
C2H4 + 3 O2 → 2 CO2 + 2 H2O
Conv=25%
CO2)5:H2O)5=2
E6: CO2)6=6

Mixer Reactor Absorber Stripper Splitter Overall Process

nv 11 10+2 14 8 12 11+2 33+2
ne 4 6 6 3 4 6 23
ngv 3 3 1 2 0 1 5
nAR 0 2 2 0 4 0 6
ndof 4 1 5 3 4 6 1 Under Specified
Problem 13
Reactor: CMB on CO2 to get CO2)9 & H2O)9 and solve
stream 9
Assume Basis: F4=100 gmol
CMB on H2O to solve stream 10
CMB on CO2 and H2O, CO2)5=2*H2O)5 to get r2
Mixer:
CMB on E and conversion to get r1 and E5
CMB on CO2 to get F8 and solve stream 8
CMB on N2, O2 and EO to solve stream 5
CMB on E, O2,N2 to solve streams 1,2,3
Absorber:
Splitter:
CMB on E, E6=CO2)6 to get CO2)6
CMB on E, O2, N2, CO2 to solve stream 7
CMB on O2 and N2 to solve stream 6
Calculate Fractional yield, Overall yield and
CMB on EO to get F9 N2)3/E1
Problem 13
N2)3/E1 = 15.49/3.99 = 3.88
Fractional yieldNO= 2/10 = 0.2
Overall yieldNO= 2/3.99 =0.501
Thank You ☺
ANY QUESTIONS?