2020 CHEE2001 Week 11 Tutorial Slides

CHEE2001
Process Principles
Week 11 2020 Tutorials

Plan for Week 11
• Tutorial 1: Worksheet questions on mass and energy
balancing with reaction
• Tutorial 2: Project 2 Support

Mass and energy balances for open systems with
reaction Q W
Min Mout
Legend
Ein
Reactor Eout M mass/ mole flows
E energy flow with material
R Q heat in/ out of system
W work done on/by system
R extent of reaction
ΔĤr heat of reaction
For systems at steady state with reaction, balance equations are:
Simplified mass balance: 0 = Min - Mout + Rσ

Simplified energy balance: 0 = Ein – Eout + Q + W – R * ΔĤr
CHEE2001
3
CRICOS code 00025B
Mass and energy balances with reaction – a systematic approach
1. Draw a flowsheet. Add the known mass and energy data. Show the system boundary.
2. Do simple preliminary calculations as appropriate.
3. State assumptions for the system.
4. Perform a DOF analysis on the system (for mass balance).
5. Write out general mass balance equation and simplified mass balance equation.
6. Write out the independent equations including component mass balances and other
equations.
7. Solve for mass flows.
8. Write out general energy balance equation and simplified energy balance equation.
9. Determine enthalpies for material flows in and out of system.
10.Determine heat of reaction.
11.Solve for energy flows.
12.Communicate the answer clearly.
CHEE2001
4
CRICOS code 00025B
Q1: Sulfur dioxide oxidation
Sulfur dioxide is oxidized to sulfur trioxide according to the reaction SO2(g)+ ½ O2 (g) → SO3 (g).
SO2 and 100% excess air are fed to the reactor at 450 ̊C. The reaction proceeds to a 65%
conversion and the products emerge from the reactor at 550 ̊C. The production rate of SO3 is
1250 moles/min.
A water jacket using cooling water at 25 ̊C is used to remove heat from the reactor and to control
the reactor temperature.
Calculate the minimum flow rate of cooling water required (kg/s) if the water leaving the jacket
must be kept at 40°C or below. Heat capacity of water of 4.187 kJ/kg °C.
Ĥ @ 450 ̊C Ĥ @ 550 ̊C Ĥf

(kJ/mol) (kJ/mol) (kJ/mol)
SO2 (g) 19.62 24.79 -296.9
SO3 (g) 35.34 -395.2
O2 (g) 13.38 16.72 0
N2 (g) 12.70 15.81 0
Reference: 25 °C, 1 atm
SO2 1
S1 3 Products,
T1 = 450 ˚C2 Reactor S3 Legend
Air R ST3 =1 250 mol/min
S = Sulfur dioxide flow mol/min
O2 O3
SO2 (g) + ½ O2 (g) → SO3 (g)
N2 N3 ST = Sulfur trioxide flow mol/min
T2 = 450 C
̊ T3 = 550 C
̊
Q O = oxygen flow mol/min
4 5 Water out
Water in N = nitrogen flow mol/min
Water jacket
W = water flow kg/s
W4 W5
T4 = 25 C
̊ T5 = 40 ˚C
Legend
SO2 1
S1 3 ST = Sulfur trioxide flow mol/min
Products,
T1 = 450 C̊
2
Reactor S3 O = oxygen flow mol/min
Air R ST3 =1 250 mol/min
O2 N = nitrogen flow mol/min
SO2 (g) + ½ O2 (g) → SO3 (g) O3
N2
N3 W = water flow kg/s
T2 = 450 C
̊
T3 = 550 C
̊
Q
Water in 4 5
Water jacket Water out
W4 W5
T4 = 25 C
̊ T5 = 40 C̊
Assumptions:
• Steady state, so accumulation = 0
• Only one reaction
• No work done on or by the system, so W = 0
• Adiabatic system, so no heat lost to atmosphere
• Negligible change in PE or KE across the system
Legend
SO2 1
S1 Reactor 3 ST = Sulfur trioxide flow mol/min
Products,
T1 = 450 ̊C R S3
2 O = oxygen flow mol/min
Air ST3 =1 250 mol/min
O2 SO2 (g) + ½ O2 (g) → SO3 (g) N = nitrogen flow mol/min
O3
N2
T2 = 450 C
̊
T3 = 550 C
̊
Q
Water in 4 5
W4 W5
T4 = 25 C
̊ T5 = 40 ˚C
DOF for Reactor:
# unknowns = 7 (S1, O2, N2, S3, O3, N3, R)

# balance equations = 4 (S, ST, O, N)
# other equations = 3 (excess air calc, conversion of SO2, O2/N2 ratio in air)
DOF = 0 , so solvable
Legend
SO2 1
Products,
T1 = 450 ̊C R S3
O3
N2
T2 = 450 C
̊
T3 = 550 C
̊
Q
Water in 4 5
W4 W5
T4 = 25 C
̊ T5 = 40 C̊
General Mass Balance: Accumulation = Input – Output + R σ

Simplified Mass Balance: 0 = Input – Output + R σ
S balance 0 = S1 – S3 – 1 *R
O balance 0 = O2 – O3 – 0.5 * R
N balance 0 = N2 – N3
ST balance 0 = 0 – 1 250 + 1 * R , so R = 1 250 mol/min
Legend
SO2 1
Products,
T1 = 450 ̊C R S3
O3
N2
T2 = 450 C
̊
T3 = 550 C
̊
Q
Water in 4 5
W4 W5
T4 = 25 C
̊ T5 = 40 C̊
Other independent equations
Excess air: O2 = Theoretical oxygen + 100% * Theoretical oxygen

O2 = 0.5 * S1 + 100% * (0.5 * S1) = S1
Air ratio: N2/O2 = 0.79/0.21 = 3.76
Conversion: 0.65 = (S1 – S3 )/S1
0.65 = R/S1 = 1 250/S1, so S1 = 1 923 mol/min
Legend
SO2 1
Products,
T1 = 450 ̊C R S3
Air ST3 =1250 mol/min
O3
N2
N3 W = water flow mol/s
T2 = 450 C
̊
T3 = 550 C
̊
Q
Water in 4 5
W4 W5
T4 = 25 C
̊ T5 = 40 C̊
Solving equations
R = 1 250 mol/min S3 = 673 mol/min

S1 = 1 923 mol/min O3 = 1 298 mol/min
O2 = 1 923 mol/min N3 = 7 234 mol/min
N2 = 7 234 mol/min
Legend
SO2 1
S1 =1 923 mol/min Reactor 3 ST = Sulfur trioxide flow mol/min
R = 1 250 mol/min Products,
T1 = 450 ̊C
2 S3 = 673 mol/min O = oxygen flow mol/min
SO2 (g) + ½ O2 (g) → SO3 (g) N = nitrogen flow mol/min
O2 = 1 923 mol/min O3 =1 298 mol/min
N2 = 7 234 mol/min N3 = 7 234 mol/min W = water flow kg/s
T2 = 450 ̊C T3 = 550 C
̊
Q
Water in 4 5
W4 W5
T4 = 25 C
̊ T5 = 40 C̊
General Energy Balance for Reactor: Accumulation = Ein – Eout + Q + W – R *  Ĥr
Simplified Energy Balance for Reactor: 0 = Hin – Hout + Q – R *  Ĥr

Legend
SO2 1
T1 = 450 ̊C
O2 = 1 923 mol/min O3 =1 298 mol/min
T2 = 450 ̊C T3 = 550 C
̊
Q
Water in 4 5
W4
T4 = 25 C
̊
Hout @ 550 ̊C (ref: 25 C and 1atm)
Hin @ 450 ̊C (ref: 25 C and 1atm)
Ĥ (kJ/mol) mol/min Hout (kJ/min)
Ĥ (kJ/mol) mol/min Hin (kJ/min) S3 24.79 673 16 684
S1 19.62 1 923 37 729 ST3 35.34 1 250 44 174
O2 13.38 1 923 25 730 O3 16.72 1 298 21 703
N2 12.70 7 234 91 872 N3 15.81 7 234 114 370
Total Hin 155 331 Total Hout 196 931
Legend
SO2 1
T1 = 450 C
̊
O2 = 1 923 mol/min O3 =1 298 mol/min
T2 = 450 ̊C T3 = 550 C
̊
Q
Water in 4 5
W4
T4 = 25 C
̊
Heat of Reaction (ref: 25 C and 1atm)
Ĥf (kJ/mol) σ Hf (kJ/mol)

SO2(g) -296.9 -1 296.9
SO3(g) -395.2 +1 -395.2
O2 (g) 0 -0.5 0
 Ĥr -98.3 kJ/mol Exothermic reaction
Legend
SO2 1
Products,
T1 = 450 ̊C R S3 = 673 mol/min
SO2 (g) + ½ O2 (g) → SO3 (g) O3 =1 298 mol/min N = nitrogen flow mol/min
O2 = 1 923 mol/min
T2 = 450 ̊C T3 = 550 C
̊
Q
Water in 4 5
W4 W5
T4 = 25 C
̊ T5 = 40 ˚C
Simplified Energy Balance for Reactor:

0 = Hin – Hout + Q – R *  Ĥr
0 = 155 331 kJ/min – 196 931 kJ/min + Q – (1250 mol/min * -98.2 kJ/mol
Q = -81 275 kJ/min
Q = -1355 kW
So, need to remove 1.36 MW of heat from the reactor.

Legend
SO2 1
Products,
T1 = 450 ̊C R
Air
ST3 =1 250 mol/min
O2 = 1 923 mol/min
T2 = 450 ̊C T3 = 550 C
̊
Q
Water in 4 5
W4 W5
T4 = 25 C
̊ T5 = 40 C̊
Now consider the water jacket:
Simplified mass balance: 0 = Input – Output

0 = W4 – W5
W4 = W5
Legend
SO2 1
Products,
T1 = 450 ̊C R S3 = 673 mol/min
O2 = 1 923 mol/min
T2 = 450 ̊C T3 = 550 C
̊
Q
Water in 4 5
W4 W5
T4 = 25 C
̊ T5 = 40 C̊
Simplified Energy Balance for water jacket:

0 = Hin – Hout + Q
0 = W4 *Cp*(T4 -25) – W5 *Cp*(T5 -25) + Q
0 = W4 kg/s * 4.187 kJ/kg ̊C * (25 – 40) ̊C + 1355 kJ/s
W4 = 21.6 kg/s
So, need a minimum flowrate of 21.6 kg/s cooling water in the water jacket
Q2: Dehydrogenation of ethanol
The dehydrogenation of ethanol to form acetaldehyde is carried out in a continuous
adiabatic reactor according to the following reaction C2H5OH(g) → CH3CHO(g) + H2(g).
100 mol/s ethanol vapour is fed to the reactor at 400 ̊C and a conversion of 30% is
obtained.
Calculate the temperature of the product gases leaving the reactor.
C2H5OH(g) CH3CHO(g) H2(g)
Cp (kJ/(mol ˚C) 0.07 0.03 0.09
(Assume that average heat capacities apply across this temperature range)
Legend
1 Reactor 2 E = Ethanol flow mol/s
R
A = Acetaldehyde flow mol/s
E2
E1 = 100 mol/s A2 H = Hydrogen flow mol/s
T1 = 400 C
̊ H2
T2
C2H5OH(g) → CH3CHO(g) + H2(g)
Assumptions:
• Steady state, so accumulation = 0
• Only one reaction
• No work done on or by the system, so W = 0
• Adiabatic system, so no heat lost to atmosphere
• Negligible change in PE or KE across the system
Legend
R
E2
T1 = 400 C
̊ H2
T = Temperature ̊ C
T2
DOF for Reactor (mass flows):
# unknowns = 4 (E2, A2, H2, R)

# balance equations = 3 (E, A, H)
# other equations = 1 (conversion of Ethanol)
DOF = 0 , so solvable
Legend
R
E2
T1 = 400 ̊C H2
T2
General Mass Balance: Accumulation = Input – Output + R σ

Simplified Mass Balance: 0 = Input – Output + R σ
E balance 0 = 100 – E2 – 1 *R
A balance 0 = 0 – A2 + 1 * R
H balance 0 = 0 – H2 + 1 * R
Conversion equ: 0.30 = (100 – E2 )/100, so E2 = 70 mol/s

Legend
R
E2
T1 = 400 C
̊ H2
T2
Solving equations
R = 30 mol/s
E2 = 70 mol/s
A2 = 30 mol/s
H2 = 30 mol/s
Legend
R
E2
T1 = 400 C
̊ H2
T2
General Energy Balance for Reactor: Accumulation = Ein – Eout + Q + W – R *  Ĥr
Simplified Energy Balance for Reactor: 0 = Hin – Hout – R *  Ĥr

Legend
R
E2
E1 = 100 mol/s A2 H = H2 flow mol/s
T1 = 400 ̊C H2
T2
Hin @ 400 ̊C (ref: 25 C and 1atm) Hout @ T2 ̊C (ref: 25 C and 1atm)
Cp (kJ/mol C) mol/s Del T Hin (kJ/s) Cp (kJ/mol C) mol/s Del T Hout (kJ/s)
E 0.07 100 375 2 625 E 0.07 70 T2 - 25 4.9 (T2 – 25)
Total Hin 2 625 A 0.03 30 T2 - 25 0.9 (T2 – 25)
H 0.09 30 T2 - 25 2.7 (T2 – 25)
Total Hout 8.5 (T2 – 25)
Legend
R
E2
E1 = 100 mol/s A2 H = H2 flow mol/s
T1 = 400 ̊C H2
T2
Ĥf (ref: 25 C and 1atm)
Ĥf (kJ/mol) σ Ĥf (kJ/mol)

E -235.31 -1 235.31
A -166.4 +1 -166.4
H 0 +1 0
 Ĥr 68.91 Endothermic reaction
Legend
R
E2
T1 = 400 ̊C H2
T2
Simplified Energy Balance for Reactor:

0 = Hin – Hout – R *  Ĥr
0 = 2 625 kJ/s – 8.5 (T2 – 25) kJ/s – 30 mol/s * 68.91 kJ/mol
Solving: T2 = 90.6 ̊C
So, the temperature of the exit gases from the reactor = 90.6 ̊C
Plan for Week 11
• Tutorial 1: Worksheet questions on mass and energy
balancing with reaction
• Tutorial 2: Project 2 Support

2020 CHEE2001 Week 11 Tutorial Slides

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CHEE2001

Week 11 2020 Tutorials

• Tutorial 2: Project 2 Support

ΔĤr heat of reaction

For systems at steady state with reaction, balance equations are:

Simplified mass balance: 0 = Min - Mout + Rσ

Ĥ @ 450 ̊C Ĥ @ 550 ̊C Ĥf

DOF for Reactor:

# unknowns = 7 (S1, O2, N2, S3, O3, N3, R)

General Mass Balance: Accumulation = Input – Output + R σ

Other independent equations

Excess air: O2 = Theoretical oxygen + 100% * Theoretical oxygen

R = 1 250 mol/min S3 = 673 mol/min

General Energy Balance for Reactor: Accumulation = Ein – Eout + Q + W – R *  Ĥr

Simplified Energy Balance for Reactor: 0 = Hin – Hout + Q – R *  Ĥr

Heat of Reaction (ref: 25 C and 1atm)

Ĥf (kJ/mol) σ Hf (kJ/mol)

Simplified Energy Balance for Reactor:

So, need to remove 1.36 MW of heat from the reactor.

Now consider the water jacket:

Simplified mass balance: 0 = Input – Output

Simplified Energy Balance for water jacket:

Calculate the temperature of the product gases leaving the reactor.

C2H5OH(g) CH3CHO(g) H2(g)

Cp (kJ/(mol ˚C) 0.07 0.03 0.09

DOF for Reactor (mass flows):

# unknowns = 4 (E2, A2, H2, R)

General Mass Balance: Accumulation = Input – Output + R σ

Conversion equ: 0.30 = (100 – E2 )/100, so E2 = 70 mol/s

General Energy Balance for Reactor: Accumulation = Ein – Eout + Q + W – R *  Ĥr

Simplified Energy Balance for Reactor: 0 = Hin – Hout – R *  Ĥr

Hin @ 400 ̊C (ref: 25 C and 1atm) Hout @ T2 ̊C (ref: 25 C and 1atm)

Ĥf (ref: 25 C and 1atm)

Ĥf (kJ/mol) σ Ĥf (kJ/mol)

Simplified Energy Balance for Reactor:

• Tutorial 2: Project 2 Support

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