CHE1001Z

Material Balances with Reaction

3.1-3.4
 Conversion

RC Purge

FF MF RP P
Reactor
A
B

X= conversion
n A ,MF−n A ,R 𝑃
XA,PP = conversion per pass=
n A ,MF
n A ,FF− n A , 𝑃 >
XA, overall= overall conversion =
n A ,𝐹𝐹
 Reactor mass balance

N2 + 3 H 2 2NH3

Example 1 : Complete conversion, stoichiometric feed

MF= 250 kmol/s N2 ,750 kmol/s H2
XPP = 100 %

In Fomred/ Out Comp

(kmol/s) Reacted (Kmol/ (%) In Fomred/ out Comp
(kmol/s) s)
reacted
N2 250 -(1)250 0
H2 750 -(1)750 0
250 -(1/3)750 H2 750 -(3/1)250 0
N2 0
0 +(2/3)750 NH3 0 +(2/1)250 500 100 %
NH3 500 100 %
∑=500
 Reactor mass balance

N2 + 3 H 2 2NH3
Example 2 : Complete conversion, limited reagent

MF: 200 kmol/s N2 (LR)

800 kmol/s H2
XPP = 100 %
In Formed/ out Comp
reacted
H2 800 -(3)200 200 33 %
=-600
N2 -(1)200
200 0 0%
= -200
NH3 +(2) 200
0 +400 67 %
=400
∑=600
 Reactor mass balance

N2 + 3 H 2 2NH3
Example 3 : Limited conversion, limited
reagent
MF: 300 kmol/s N2
700 kmol/s H2 (LR)
XPP = 50 %
In Formed/ out Comp
reacted
H2 700 -(0.5)700 350 48.8 %
=-350
N2 -(1/3)350
300 133.3 18.6 %
= -116.7
NH3 +(2/3) 350
0 233.3 32.6 %
=233.3
∑=716.6
 Reactor mass balance : parallel reactions

 reactions that occur simultaneously in a reactor

 either using common reactants or generating common products.

Example:
A plant makes liquid CO2 by treating dolomitic limestone with
commercial sulfuric acid. The dolomite analyzes 68.0% CaCO3,
30.0% MgCO3 and 2.0% SiO2; the acid is 94% H2SO4 and 6%
H2O.
Calculate (a) pounds of CO2 produced per ton of dolomite
treated and (b) pounds of acid used per ton of dolomite
treated.
 Reactor mass balance : parallel reactions

1) MgCO3 + H2SO4 MgSO4 + H2O + CO2

2) CaCO3 + H2SO4 CaSO4 + H2O + CO2
MgCO3 CaCO3 H2SO4 MgSO4 CaSO4 H2O CO2 SiO2
Assume 100 %
lb/lbmol 84.3 100.1 98.1 120.4 136.1 18 44 60.1
conversion

In (kg) In (lb) In (lbmol) Reacted/ Out Out (lb)

Formed (lbmol) (lbmol)
Amount H2SO4
MgCO3 300 661 7.84 -(1) 7.84 0 0 In: 2241 lbs
CaCO3 680 1500 15.0 -(1)15.0 0 0
b) Amount of the
H2SO4 1017 2241 22.84 -(1)15.0-(1) 7.84=-22.84 0 0 acid used : 2241
+(1) 7.84 = 7.84 7.84 944 lbs/0.94= 2384 lbs
MgSO4 0 0 0
CaSO4 0 0 0 +(1)15.0 = 15.0 15.0 2042

H2O 0 0 0 +(1)15.0+(1) 7.84=22.84 22.84 405.8 a) pounds of CO2

0 +(1)15.0+(1) 7.84=22.84 22.84 1005 produced/ton of
CO2 0 0
0.73 0 0.73 44 dolomite
SiO2 20 44
∑=1000 kg
 Extent of reaction

a A+ b B cC+dD

𝑛i ,𝑜𝑢𝑡 − 𝑛i ,𝑖𝑛 𝑛 𝐴, 𝑜𝑢𝑡 −𝑛 𝐴 ,𝑖𝑛 𝑛 𝐵, 𝑜𝑢𝑡 −𝑛 𝐵, 𝑖𝑛 𝑛𝐶 ,𝑜𝑢𝑡 − 𝑛𝐶 ,𝑖𝑛 𝑛 𝐷 , 𝑜𝑢𝑡 −𝑛 𝐷 , 𝑖𝑛

𝜉 (𝑚𝑜𝑙)= = = = =
¿ 𝜈𝑖 −𝑎 −𝑏 𝑐 𝑑
In Reacted/ Out
Formed

N2 + 3 H 2 2NH3
MF: 250 kmol/s N2 ; 700 kmol/s H2
Identification of LR
• Work out the maximum extent N2 : 250 kmol
(=0) of reaction of a substance
• Substance with the smallest = LR H2 : = kmol
LR
 Extent of reaction

MF: 300 kmol/s N2

700 kmol/s H2
𝑋 𝑝𝑝 ×𝑛 𝑖𝑛, 𝐿𝑅
XPP = 50 % 𝜉=
𝜈𝐿𝑅
In Formed/ out Comp
reacted
H2 700 -(0.5)700 350 48.8 %
116.7
=-350
N2 -(1/3)350
250 133.3 18.6 %
= -116.7
NH3 +(2/3) 350
0 233.3 32.6 %
=233.3

116.7
 Working backward
N2 and H2 are fed in stoichiometric proportions to a Haber reactor. The product stream has the composition given
below. Calculate the percentage conversion achieved in the reactor.
N2 21.4%
H2 64.3%
NH3 14.3%
N2 + 3 H2 2NH3 = basis: 100 mol of product stream

In Reacted/ Out (mol)

(mol) Formed (mol)
7.15 mol
N2 28.55 -1.(-1) 7.15=-7.15 21.4
H2 85.75 -3.(3) 7.15=-21.45 64.3
NH3 0 +2.(2) 7.15 14.3
25 %
 Selectivity and Yield

Selectivity =

Yield

1) Feed basis: Moles/mass of desired product relative to key reagent fed

2) Reactant consumption basis: Moles/mass of desired product relative to key reactant
consumed
3) Theoretical consumption of limiting reactant: Moles/mass of (desired) product relative to
100% conversion of limiting reagent
 Selectivity and Yield
10 kg of PbS and 3 kg of O2 react to yield 6 kg of Pb and 1 kg of PbO 2 according to the reactions
PbS + O2 → Pb + SO2
PbS + 2O2 → PbO2 + SO2 PbS O2 Pb PbO2 SO2
Calculate
a. the amount of PbS that does not react g/gmol 239.3 32 207.2 239.2 64.1
b. the amount of SO2 formed
c. the mass yield of Pb per ton of PbS
d. the selectivity (in mol desired to mol undesired product)
=28.96 mol
In (kg) In(mol) React/ Out(mol) Out (Kg)
Formed (mol) =4.181mol
PbS 10 -1. =
41.79 8.65 2.1 amount of unreacted PbS=2.1 Kg
-28.96-4.181= -33.14
O2 -1. = amount of SO2 formed=2.1 Kg
3 93.75 -28.96-(2)4.181= -37.32 56.43 1.8
Pb 0 0 +1. =28.96 28.96 6 mass yield of Pb =600 Kg/ton of
PbO2 0 0 4.181 1 PbS
+1. =4.181
SO2 0 0 +1. = Selectivity = 6.93
33.16 2.1
28.98+4.181= 33.14
 Oxidation reactions
Full combustion: CO2 Air: 79 % N2 and 21 % O2
Incomplete combustion: CO N2: inert in combustion reactions
Ethylene oxide (EO) is produced by oxidation of ethylene (E). 100 kmol of ethylene are fed to a reactor and the product is
found to contain 80 kmol ethylene oxide and 10 kmol CO2 .
Calculate
a) the % conversion of ethylene C2H4 + ½ O2 → C2H4O
b) the yield of ethylene oxide (in mol) per mol of ethylene C2H4 + 3 O2 → 2CO2 + 2H2O
c) the selectivity (in mol of desired relative to undesired product)
=80 mol
d) the composition of the product stream, assuming an equimolar feed stream.
In(kmol) React/ Out(kmol) Comp (%) =5 mol
Formed (kmol)
C2H4 % conversion of ethylene= %
100 85 15 9.375
O2 55
100 45 28.125 Yield of EO = 0.8 mol of EO/mol Ethyl
C2H4O -
80 80 50
CO2 - Selectivity = 8
10 10 6.25
H2O -
0 10 6.25

∑=160 mol
 General solving strategy

1) Write the equations and balance them

2) Check for any assumptions
3) Set up table and complete with what you know
4) If no quantity given, define basis (100 mol for gases or 100 Kg for liquids and solid)
5) Complete the table further with info from the basis
6) work out for every reaction
7) Complete the reacted/form part of the table
8) work out the remaining gap in the table
9) Answer the question