CPE606 Process Modelling Executive Summary
CPE606 Process Modelling Executive Summary
DR NORIZAR ANUAR
EH2206B
YEAR: 2021
JACKETED PLUG FLOW REACTOR
NAME STUDENT ID
ARIF HANAFI BIN MD ZAKI 2020983171
NELLISA SHARIZA BINTI AWANG RAMLI 2020970415
MUHAMMAD ZULHAZIZI BIN ZAKARIA 2020985709
I. ABSTRACT
The purpose of this project is to determine the dimensions of the reactor by calculating the
working volume of the reactor to produce Formaldehyde using methanol by using silver
catalyst method. The starting point of the design project was background research for the
process literature. The research includes the process flow diagram of the production,
chemical reaction, and kinetic data of the process. The second stage of this project was
simulating the reactor by using ASPEN Hysys software based on the data obtained from the
research studies. The purpose of the simulation was to obtain it process condition of the
reactor. The quantitative analysis for the design parameters was calculated afterwards by
using mathematical models developed using the principle of mass, moles, and energy
balances. For this project, the plug flow reactor design was assumed to be in irreversible
conditions, where the density was constant throughout the process and the reactor are mixing
perfectly. Euler’s method was used to determine the concentration and temperature profile
that will be used for the reactor design. The residence time obtained for the reactor are 23.38
hours, whilst its volume is 218.7643 m3 with length of 14.826 m and the diameter of 1.5628
m. The reactor yielded at 94.34% and the reactor type decided was Jacketed Plug Flow
Reactor.
8774 12500
ΔH = -159 kJ/mol = +84 kJ/mol
ln 𝑘1 = 12.50 − ln 𝑘3 = 16.9 −
Rate Constant
𝑇 𝑇
*T obtain from
the initial
ln 𝑘1 = 12.5 − ln 𝑘3 = 16.9 −
temperature of the
process condition
k1=2.3586x10-3 hr-1 k3 = 7.2853 ×10-5 hr-1
7439 15724
ln 𝑘2 = −17.29 + ln 𝑘4 = 25.0 −
𝑇 𝑇
ln 𝑘2 = −17.29 + ln 𝑘4 = 25.0 −
𝑘𝑔𝑚𝑜𝑙𝑒 𝐴 𝑘𝑔𝑚𝑜𝑙𝑒
k2 = 0.2096 hr-1 2.6306 hr-1
−𝑟𝐴1 [ ] −𝑟𝐴2 [ ]
Reaction rate
𝑘𝑔𝑐𝑎𝑡𝑎𝑙𝑦𝑠𝑡. ℎ𝑟 𝑘𝑔𝑐𝑎𝑡𝑎𝑙𝑦𝑠𝑡. ℎ𝑟
−0.082𝐶𝑎. 𝑇. 𝑘1 −𝑘3. (0.082𝐶𝑎. 𝑇)0.5
= 1+ = 0.5
0.082𝐶𝑎. 𝑇. 𝑘2 1 + 𝑘4. (0.082𝐶𝑎. 𝑇)
Kinetic data k1 = 2.3586E-03 k2 = k3 = 7.2853E-05 k4 =
2.0960E-01 2.6306E-04
Product Yield
𝐴𝑐𝑡𝑢𝑎𝑙 𝑌𝑖𝑒𝑙𝑑
% 𝑌𝑖𝑒𝑙𝑑 = 𝑋 100%
𝑇ℎ𝑒𝑜𝑟𝑒𝑡𝑖𝑐𝑎𝑙 𝑌𝑖𝑒𝑙𝑑
%Yield = 94.34%
*All the Chemical Information and data above were obtained from the studies made by
(Sanhoob et al., 2012)
IV. PROCESS DESCRIPTION
Figure 1-Process Flow Diagram of Formaldehyde Production from Methanol by using Silver Catalyst Method
The process flow diagram for formaldehyde utilizing silver catalyst is shown in
Figure 1. Air is compressed and heated, and fresh and recycled methanol is pumped and
heated before being blended to give reactor feed. The reactor is a unique design in which the
silver catalyst is hung above a heat exchanger tube bank in the shape of wire gauze. The heat
created in the adiabatic reactor section must be evacuated fast since the net reaction is
particularly exothermic, hence the proximity of the heat exchanger tubes. On the shell side,
the heat exchanger resembles a pool boiler, with a pool of water. If the effluent temperature is
too high, the set point on the steam pressure line is decreased to increase boiler feed water
vaporization (bfw). The liquid-level controller on the bfw is set to keep the tube bundle fully
immersed in most cases. Most of the methanol and formaldehyde in the reactor effluent are
absorbed into water in an absorber, with the remaining light gases purged into the off-gas
stream. Methanol, formaldehyde, and water are poured down a distillation column, where the
methanol overhead is recycled, and the bottom product is a formaldehyde/water mixture with
a ≤wt% methanol inhibitor. This combination is chilled before being transferred to a storage
tank with a four-day capacity. Because some of the downstream procedures are batch, this
storage tank is required. When the downstream operation draws from the storage tank, the
required amount of water is added since the storage tank's composition exceeds 37 wt percent
formaldehyde (Azevedo, n.d.).
V. PROCESS CONDITION AND DESIGN PARAMETER
1. Process condition
For plug flow reactor, the process condition needed to be used shown in Table below. All
of the data were obtained from the hysys simulation done for this production
Table 2: Process condition data obtained from the hsysy simulation
Inlet stream Outlet stream
Temperature (K) 473 873.1
Pressure (atm) 3 3
Volume Flowrate (m3/h) 9.734 10.03
Initial Methanol 0.02546
concentration Oxygen 0.01087
(kmol/m3 Need to be calculated
Formaldehyde 1.546X10-5
Water 3.865X10-5
Hydrogen 7.73X10-6
2. Assumptions
𝑑(𝑉)
𝜌 𝑑𝑡= 𝜌(𝐹0 − 𝐹) ;ρ=ρ0=constant
𝑑𝑉
𝑑𝑡 = 𝐹0 − 𝐹
𝑑𝑉
= 9.734 − 10.03
𝑑𝑡
𝑑𝑉
= −0.296
𝑑𝑡
𝑡𝑖𝑚𝑒 𝑟𝑎𝑡𝑒
𝑜𝑓 𝑐ℎ𝑎𝑛𝑔𝑒 𝑜𝑓
𝑓𝑙𝑜𝑤 𝑜𝑓 𝑓𝑙𝑜𝑤 𝑜𝑓 𝑟𝑎𝑡𝑒 𝑓𝑜𝑟𝑚𝑎𝑡𝑖𝑜𝑛
CCE component A
𝑑𝐶𝐴𝑉
𝑑𝑡 = 𝐹0𝐶𝐴0 − 𝐹𝐶𝐴 + 𝑉((−𝑟𝐴1) + (−𝑟𝐴2))
𝑑𝐶
𝐴
= +( )+( )
0.5
𝑑𝑡 𝑉 1+0.082𝐶𝐴.𝑇.𝑘2 1+𝑘4.(0.082𝐶𝐴.𝑇)
= +( )+()
1+0.082
� �𝐴×473×0.2096 1+0.00026306.(0.082
�𝐴×473)0.5
𝑑𝑡 948.7
� �
CCE component B
𝑑𝐶𝐵 = 𝐹0𝐶𝐵0−𝐹𝐶𝐵 )
( )
1+0.082𝐶𝐴𝐴.𝑇.𝑘1.𝑇.𝑘2
−0.082𝐶
+(
𝑑𝑡 𝑉 2
( )
𝑑𝐶𝐵 9.734(0.01087)−10.03𝐶𝐵 −0.0821+0.082𝐶
𝐴
𝐶.473×0.0023586𝐴.473×0.2096
= +
𝑑𝑡 948.7 2
CCE component C
= � 0�𝐶0 − 𝐹 �− 𝑉((−𝑟 � 1 )−(− 𝑟� 2 ))
𝑑𝐶𝐶�
𝑑𝑡�
𝐶
� 𝑑𝑡 = � 0�𝐶0 − 𝐹 �− 𝑉((−𝑟 � 1 )−(− 𝑟� 2 ))
𝑑𝐶𝐶 ��
� � �
𝐶 −0.082� .𝑇.𝑘1
= −( )−( )
𝑑𝐶𝐶 � 0�𝐶0−𝐹 𝐶 −𝑘3.(0.082𝐶𝐴.𝑇)
0.5
� �� � � �
𝐴
𝑑𝑡 � � � 𝐶 1+0.082� .𝑇.𝑘2
� 𝐴 1+𝑘4.(0.082𝐶.𝑇)0.5 𝐴
= − ( ) −( � 𝐴×473)0.5)
𝑑𝐶𝐶 9.734(0.00001546)−10.03
�𝐶 −0.082� 𝐴×473×0.0023586 −0.000072853.(0.082
� 𝐴×473)0.5
� �
𝑑𝑡 948.7 � �
1+0.082� 𝐴×473×0.2096 1+0.00026306.(0.082
� �
CCE component D
𝑑𝐶𝐷𝑉
𝑑𝑡= 𝐹0𝐶𝐷0 − 𝐹𝐶𝐷 − 𝑉(−𝑟𝐴1)
𝑑𝐶
𝐷
CCE component
= � 0�𝐸0 − 𝐹 � − 𝑉(−𝑟 � 2)
𝑑𝐶𝐸�
𝑑𝑡�
𝐶
� 𝑑𝑡 = � 0�𝐸0 − 𝐹 � − 𝑉(−𝑟 � 2)
𝑑𝐶𝐸 ��
� �
𝐶�
= −( )
𝑑𝐶𝐸 � 0�𝐸0−𝐹 𝐸 −𝑘3.(0.082𝐶𝐴.𝑇)
0.5
� �� �
𝑑𝑡 �� � 𝐶 1+𝑘4.(0.082𝐶.𝑇)0.5 𝐴
= −( 0.5) 𝑑𝑡 948.7
𝑑𝐶𝐸 9.734(0.00773)−10.03
�𝐴 −0.000072853.(0.082
� 𝐴×473)0.5
�
� � 1+0.00026306.(0.082𝐶𝐴×473)
5. Euler Method for Concentration Profile
6. Residence Time
Based on the graph of concentration profiles, at time between 20 to 25 hrs, the outlet
concentration of methanol able to produce yield of 0.003565 kmol/m3
Time (hrs) Ca (kmol/m3)
20 0.004182
𝜏 0.003565
25 0.003270
ii. Determination of the outlet concentration of A, B, C and D using the residence time.
This process is designed to produce formaldehyde with capacity of 63000 tonnes/year. Thus,
volumetric flowrate, F can be calculated.
m3
𝑉 = 𝜏 × 𝐹 = 23.38 hrs × 9.3569 =
3
218.7643 m ℎ𝑟
8. Temperature Profile
To determine the temperature profile for the process, we need to calculate the reactor and
jacket temperature first. A derived energy balance is required to give an accurate value and
analysis. Below is the derived energy balance for reactor and jacket: - Energy balance for
reactor temperature analysis:
𝜆[email protected] = 85300 kJ/mol + 0.0215 kJ/mol.K (423.15 K-273.15 K) = 85303.23 kJ/mol Mole
Fraction of components:
Components Mole Fraction (Xi)
CH3OH 0.0725
O2 0.0089
CH2O 0.4219
H2O 0.4419
H2 0.0548
Calculation for specific heat capacity of the mixture (Cpmix):
Cpmix = ∑ 𝑋𝑖 𝐶𝑝𝑖
Components Mole Fraction (Xi) Cpi Cpmix
CH3OH 0.0725 0.0429 0.0331
O2 0.0089 0.0293 0.0002
CH2O 0.4219 0.0353 0.0149
H2O 0.4419 0.0336 0.0148
H2 0.0548 0.0291 0.0016
Cpmix = 0.0646 kJ/mol.K
Volume of reactor 218.7643 m3
Volume of reactor (assuming 10% air spacing 0.3 * 218.7643 m3 = 65.63 m3
in reactor)
Overall volume of reactor 218.7643 m3 + 65.63 m3 = 284.39 m3
𝜋D2𝐿
Volume reactor, Vreactor =
4
L = 3D
Inserting L,
𝜋D2(3.0𝐷) 3𝜋D3
= = 284.39 𝑚
3
Vreactor=
4 4
D = 4.942 m
Calculating area, A:
4
2
A = x V = x 284.39 = 230.182 m
𝐷 4.942
Internal energy, U (W/m2.K) = 567.5 (Heating with Coils and Jackets | Spirax Sarco, n.d.)
Vj 28.439 m3
3
/hrs Fj = = = 1.2164 m
𝑡 23.38 ℎ𝑟𝑠
Since it was designed to be fully jacketed, then the length of reactor jacket is equal to the
length of the reactor:
Dj = 1.5628 m
4
3
= 72.7899 m2
A = x Vj = x 28.439 m
𝐷𝑗 1.5628
Temperature Profile for Reactor (T reactor)
1000
Temperature,
800 K
600
40C
CCC
200
0
0 0.05 0.1 0.15 0.2 0.25 0.3
Time, hr
The following graph of reactor temperature against time is generated based on the
data iterated and recorded in the table above.
The following graph of reactor jacket temperature against time is generated based on
the data iterated and recorded in the table above. According to (Sanhoob et al., 2012)
saturated water (coolant) is used to cool the reactor. The coolant enters the reactor at 480 K
and exit also at the same temperature but different phase.
Figure 5: Temperature Profile for Reactor and Jacket
The temperature profile for both reactor and reactor jacket are plotted using the same
step size. According to the plotted graph above, the temperature for the reactor increases
exponentially while the temperature for the jacket appears to be decreasing slightly (a small
changes) throughout the process.
VI. CONCLUSIONS
Every chemical process has a reactor at its base, where chemical reactions take place
to convert feeds into products, and its design is an important part of the overall process
design. As the reactor to be developed, the plug flow reactor was selected. In this project’s
study, formaldehyde is to be produced through a catalytic vapor-phase oxidation reaction
involving methanol and oxygen. Furthermore, the chosen reactor must be able to provide the
desired yields and selectivity. As a result, for this reaction, a concentration profile is created.
A residence period of 23.38 hours is needed to get an 85.9967% conversion of methanol. The
concentration profile is iterated until the concentrations of all the components are constant.
The residence time may be used to calculate the volume of the reactor, yielding a result of
218.7643 m3. Furthermore, by obtaining the reactor and cooling jacket energy equations, the
temperature profile is investigated. The temperature in the reactor continues increase from
423.1K until 873.1K at takes around 0.2483 hour, whereas the temperature in the jacket
maintains constant at 480.9 K. To conclude, the calculations for establishing the working
volume for the plug flow reactor utilised to create formaldehyde were successfully completed
in this report.
VII. REFERENCES
Azevedo, D. E. (n.d.). Prentice Hall PTR International Series in the Physical and Chemical
Engineering Sciences.
Baber, A. A. (2018). Production of 66000 Tpy of Formaldehyde From Methanol Using Silver
Catalyst.
Heating with Coils and Jackets | Spirax Sarco. (n.d.). Retrieved February 4, 2022, from
https://www.spiraxsarco.com/learn-about-steam/steam-engineering-principles-and-
heattransfer/heating-with-coils-and-jackets
Sanhoob, M. A., Al-Sulami, A., Al-Shehri, F., & Al-Rasheedi, S. (2012). Production of
CHE495, 200.