Chemical Process Design

Production of Green hydrogen or methanol or ammonia as

hydrogen carriers

Worldwide, hydrogen demand has increased substantially as more and more nations begin to
adopt the hydrogen economy to reduce the dependency on fossil fuels. Using hydrogen as
fuel is thought to be one of the best solutions to decarbonizing our economies. However, this
requires that hydrogen is produced from renewable sources of raw materials and energy
(Green hydrogen). Currently, nearly 70 million tons of hydrogen are produced globally from
mainly natural gas (Blue hydrogen) and coal (Black hydrogen). With the advancement in fuel
cell technology, hydrogen is becoming a universal fuel for a wide range of applications
including industrial, transportation and domestic. Therefore, green hydrogen has a great
potential to meet future energy demand in a sustainable and environmentally friendly manner.
“Africa has the best renewable energy in the world”, according to Ambroise Fayolle, the vice
President of the European Investment Bank. The “Africa’s extraordinary green hydrogen
potential report” suggests that Africa can produce 50 million tons of green hydrogen per year
and has the potential to be a major player in the global fuel, green steel, and green fertiliser
economies. https://www.eib.org/en/press/all/2022-574-new-study-confirms-eur-1-trillion-
africa-s-extraordinary-green-hydrogen-potential
In this project, you are required to complete a preliminary design and a high-level economic
evaluation of a plant to produce 50 metric tons per day of green hydrogen, using various
sources of renewable and waste materials as feed stock as well as renewable energy sources.
One of the main drawbacks for using hydrogen as fuel is its low energy density. Thus,
hydrogen needs to be stored and transported under cryogenic conditions and at pressures
above 700 bar. Research is still underway to develop materials that will allow safe storing and
transportation of hydrogen at extreme conditions. Ammonia and methanol are some of the
alternative solutions to overcoming hydrogen storage and transportation challenges, due to
their higher energy density and ease of transportation and storage compared to hydrogen.
As part of the design work, you are required to investigate whether the option of storing
hydrogen as methanol or ammonia is more beneficial than producing hydrogen as your final
product. Your conclusion must be supported by simulation results and a fair comparison in
terms of material and energy efficiency, economics, and environmental considerations.
Your design must only consider renewable sources of feed material and waste materials such
as biomass, biogas, municipal solid waste, municipal sewage and waste tyres.
Furthermore, your design must only consider renewable sources of energy such as, solar
thermal, solar photovoltaic, hydroelectric, geothermal etc.
The plant should operate for 300 days a year to allow for shutdown and maintenance.
You are required to investigate the feasibility of such a process by producing the following.
- A Conceptual design of the process

Page 1 of 9
 - A detailed design of one of the main reactors for which reaction kinetics information
is given and a detailed design of one of the major pieces of equipment: a HEAT
EXCHANGER or a SEPARATOR (distillation column, or flash separator).
You will work in a group and submit design reports as a group which will be done in four
phases.

1. Conceptual Design Preliminary Report: Assignment 1 (Unique number:

622802, due date: 14 June 2023) & Assignment 2 (Resubmission: please
refer to your tutorial letter for details).

The conceptual design preliminary report should contain the following information.
1.1. Introduction and Literature review
1.2. Design Basis
1.3. Process Description
1.4. Process Simulation: You will use a simulation software of your choice (Aspen,
ChemCad, HYSIS, etc.). Include a description of your simulation and thermodynamic
property method and models used. The simulation report generated by the simulation
package can be included in the appendix.
1.5. Process Flow Diagram with a table containing the mole flow rates, compositions,
temperature, and pressures of all the process streams. All the process equipment
should be indicated on this flow diagram. Include an overall material balance check to
show that your flowsheet mass balance is correct.
1.6. Process Optimization and Impact analysis: This must be done on the overall process
as well as on the flowsheet. The impact analysis should include economic, social, and
environmental factors.
1.7. Utility requirement schedule detailing all the cooling, heating, electrical, and fuel
needed in the process and their cost.
1.8. Environmental analysis should include considerations of all by-product streams, their
impact and provide options to minimize them.
1.9. Your communication skills will be assessed in this submission. Make sure that your
report provides information adequately with no grammatical and spelling errors, with
clarity, conciseness and has the correct format.

This report will assess Graduate Attributes 3, 5, 6, and 7. Please refer to your tutorial letter
for a detailed description of each Graduate attribute.

The report must be submitted online before 14 June 2023. The Unique number for this
submission is: 622845.

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2. Preliminary Report: Detailed Design (Selected part of the plant):
Assignment 3 (Unique number: 622867, due date: 23 August 2023) &
Assignment 4 (Resubmission, see tutorial letter for details)

2.1. Detailed design of the of the reactors in your process. I have provided rate expressions
for the common reactions that might be involved in your design. These are found in
Appendices, A, B, and C. The design will consist of design calculations together with a
layout drawing showing the dimensions of the reactor. A datasheet of the reactor
vessel should also be provided.
2.2. Detailed design of ONE major piece of equipment, such as a heat exchanger or a
separator. You may pick which one you prefer to design. The design will consist of
design calculations together with a very basic layout drawing.
2.3. HAZOP study in tabular form. (Only required for reactor)
2.4. P&ID (MFD) of the reactor. P&ID should indicate all required instrumentation, valves,
steam traps complete with tag numbers. All process and utility pipelines will be
indicated each with its number, size, the material of construction, etc. Control loops
and interlocks will also be indicated.
2.5. Control philosophy discussing how to operate the section of the plant. Attention should
also be given to start-up and shutdown procedures.
2.6. Instrument list related to your P&ID
2.7. Filled in the datasheet to specify ONE pump in your process.
2.8. Economic and Profitability analysis of your process. This would include a rough sizing
of all equipment, calculation for the capital and operating costs of the plant, and
evaluation of the profitability of the plant.

This report will assess Graduate Attributes 2, and 6. Please refer to your tutorial letter for a
detailed description of each Graduate attribute.

The report must be submitted on the Moodle platform by 23 August 2023. The Unique
number for this submission is: 622867.

3. Oral Presentation: Assignment 5 (Unique number: 536559. Dates : 23-27

October 2023)

Before submitting your final report, you will present your design. This will allow you to defend
your design and prove that you did the work yourself. You will be given feedback and
recommendations to consider for your final report. You must prepare your presentation on
Microsoft PowerPoint and you will be required to submit a copy of the presentation in PDF
format on the myUnisa submission system.

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The oral presentation will assess Graduate Attribute 6.
The presentations will be scheduled from 23-27 October 2023. You will be given the
schedule and you will pick the date and time that is suitable for you. You will be required to
submit the PDF format of your presentation before the day of your presentation.
The Unique number for the PDF format of the presentation submission is: 536559

4. Final Report submission: Assignment 6 (Unique number: 536699, due date:

17 November 2023)

The final report will be a combination of the two preliminary reports after you have considered
all the recommendations by your lecturer/tutor to give a high-quality report. This report will
have a high weighting toward your final mark. Therefore, make sure that is done at the
standard expected from you.
The final report must be submitted in PDF format on the Moodle Assignment submission
platform, The report must be submitted by 17 November 2023. The Unique number for
this submission is: 536699.

5. Other useful information

Table 1 provides values for typical process utilities to assist in economic evaluation. These
costs may be somewhat outdated but will suffice for this project. You are welcome to look for
up-to-date data from other sources.

Table 1: Available Process Utilities

Boiler Feed Water (at 549 kPa, 90°C) $2.50/ton

Cooling Water (516 kPa and 30°C) return at 45°C $0.35/GJ
Refrigerated Water (516 kPa and 5°C) return at 15°C $4.43/GJ
Low-temperature refrigerant (available at -20°C) $ 7.89/GJ
Very low-temperature refrigerant (available at -50°C) $ 13.11/GJ
Process water (deionized) (30°C) $ 0.07/ton
Wastewater treatment (based on volume treated) $ 56/1000m3

If your plant is going to use electricity, remember that only renewable sources of
electricity are allowed. You will need to find the cost of the source of your renewable
electricity.

Page 4 of 9
6. General comments

The design project requires a fair amount of time and effort. Please get started as
soon as possible and manage your time well and work on your project consistently.
Do not attempt to do your project at the last minute, as you definitely will not
succeed. You might want to create a schedule or Gantt chart to plan your activities such that
you meet all deadlines. Please ensure that you submit the preliminary reports as you will
receive feedback on these reports so that you can improve the quality of your final report. Also
make sure you submit your assignments within the specified deadlines, as late reports will be
penalized by 5% per day.

Another very serious issue is plagiarism. Please ensure that you reference every
source and you do not copy word-for-word from the internet or any other reference.
Any report which does not adhere to the plagiarism policy will automatically
receive ZERO. Do not be fooled into thinking that you will not be caught, as every report will
be checked for plagiarism using plagiarism detection software.

Please follow the style of a technical report. Include an executive summary,

table of contents, introduction, main body sections, conclusion, references, etc.
for every report. Your study guide contains valuable information about what
content is required in the report and how to structure the report. Do not just provide
calculations; rather include these in an appendix. You need to explain carefully and
concisely what you are trying to do, and more importantly provide the results of the
calculations and discuss the implications of these results. Give references for all information.
Substantiate all assumptions. Draft your report while you are busy researching and
performing calculations, and don’t leave the writing of the report to the end. Remember that
your examiner only sees your report; so please make a concerted effort in the presentation
of all your calculations and results.

7. Appendix A: Kinetics for the methanol synthesis reactor design

For the reactor design, a solid catalyst for methanol synthesis is available with the following
kinetics characteristics:
The synthesis reaction is characterized by the reaction of CO2 with hydrogen to form
methanol (the desired product) and the side water gas shift reaction as follows:
𝐶𝐶𝑂𝑂2 + 3𝐻𝐻2 ↔ 𝐶𝐶𝐻𝐻3 𝑂𝑂𝐻𝐻(𝑔𝑔) + 𝐻𝐻2 𝑂𝑂(𝑔𝑔) …………….. Rxn1

𝐶𝐶𝑂𝑂2 + 𝐻𝐻2 ↔ 𝐶𝐶𝐶𝐶 + 𝐻𝐻2 𝑂𝑂(𝑔𝑔) …………………….. Rxn2

Both reactions are catalyzed by the catalyst and their kinetics obey what is called the
Langmuir-Hinshelwood-Hougen-Watson (LHHW) form.
(kinetic factor)(driving force expression)
The LHHW kinetic form is: 𝑟𝑟 =
(adsorption term)

Page 5 of 9
The kinetics expression for rxn 1 (𝐶𝐶𝑂𝑂2 + 3𝐻𝐻2 ↔ 𝐶𝐶𝐻𝐻3 𝑂𝑂𝐻𝐻(𝑔𝑔) + 𝐻𝐻2 𝑂𝑂(𝑔𝑔) ) is given as:

4413.76 −2645.966 𝑃𝑃
� � � � 𝐶𝐶𝐻𝐻3 𝑂𝑂𝑂𝑂 ×𝑃𝑃𝐻𝐻2 𝑂𝑂
�1.07×10−13 ×𝑒𝑒 𝑇𝑇 ×𝑃𝑃𝐶𝐶𝑂𝑂 ×𝑃𝑃𝐻𝐻2 −4.182×107 ×𝑒𝑒 𝑇𝑇 × �
2 𝑃𝑃2
𝐻𝐻2
𝑟𝑟𝐶𝐶𝐻𝐻3 𝑂𝑂𝑂𝑂 = 2068.44 14928.915 3 (1.1)
𝑃𝑃𝐻𝐻 𝑂𝑂 � � 0.5 +6.62×10−16 ×𝑒𝑒 � �
�1+3453.38× 𝑃𝑃 2 +1.578×10−3 ×𝑒𝑒 𝑇𝑇 ×𝑃𝑃𝐻𝐻2
𝑇𝑇 ×𝑃𝑃𝐻𝐻2 𝑂𝑂 �
𝐻𝐻2

kmol
Where: - 𝑟𝑟𝐶𝐶𝐻𝐻3 𝑂𝑂𝑂𝑂 � � is the rate of formation of methanol
kg cat s

- 𝑇𝑇[kelvin] is the reaction temperature.

- 𝑃𝑃𝑖𝑖 [pascal] is the partial pressure of component 𝑖𝑖
Note the Kinetic factor and the driving force expression have been combined in the equation
(1.1).

The kinetics expression for rxn 2 (𝐶𝐶𝑂𝑂2 + 𝐻𝐻2 ↔ 𝐶𝐶𝐶𝐶 + 𝐻𝐻2 𝑂𝑂(𝑔𝑔) ) is given as:
−11398.24 −6624.98 𝑃𝑃 ×𝑃𝑃
� � � � 𝐶𝐶𝐶𝐶 𝐻𝐻2 𝑂𝑂
�122×𝑒𝑒 𝑇𝑇 ×𝑃𝑃𝐶𝐶𝑂𝑂 𝑇𝑇 × 2 −1.1412×𝑒𝑒�
𝑃𝑃𝐻𝐻
2
𝑟𝑟𝐶𝐶𝐶𝐶 = 2068.4 14928.9 1 (1.2)
𝑃𝑃𝐻𝐻 𝑂𝑂 � �
�1+3453.4× 2 +1.578×10−3 ×𝑒𝑒 𝑇𝑇 ×𝑃𝑃𝐻𝐻 0.5 +6.62×10−16 ×𝑒𝑒 � 𝑇𝑇
�
×𝑃𝑃 �
𝑃𝑃𝐻𝐻 2 𝐻𝐻2 𝑂𝑂
2

kmol
Where: - 𝑟𝑟𝐶𝐶𝐶𝐶 � � is the rate of formation of CO
kg cat s

- 𝑇𝑇[kelvin] is the reaction temperature.

- 𝑃𝑃𝑖𝑖 [pascal] is the partial pressure of component 𝑖𝑖
Note that the Kinetic factor and the driving force expression have been combined in the
equation (1.2)

One of the optimization aspects that can be considered is to optimize the composition of the
synthesis gas mixture.
The composition of the synthesis gas required for methanol synthesis is characterized by the
stoichiometric number S.
[𝐻𝐻2 ]−[𝐶𝐶𝑂𝑂2 ]
𝑆𝑆 =
[𝐶𝐶𝐶𝐶]+[𝐶𝐶𝑂𝑂2 ]

The concentration of each component is expressed in volume percent.

For methanol synthesis, the stoichiometric number should be at least 2.0. Values above 2.0
mean that the syngas mixture is rich in hydrogen, whereas values below 2.0 mean that the
mixture is lean in hydrogen. A hydrogen lean syngas mixture will reduce the selectivity of
methanol drastically, whereas a hydrogen reach mixture will increase the size of the recycle
because of the hydrogen accumulation. Therefore, a synthesis gas composition with a
stoichiometric number slightly above 2.0 is optimum for methanol synthesis.

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You will need to optimize the syngas reactor operation to achieve an optimum stoichiometric
number. This will involve identifying the parameters that affect the syngas composition and
use a simulation package to help you determine the optimum values of these parameters.

8. Appendix B: Kinetics for the Ammonia Synthesis Reaction

Ammonia is catalytically formed from nitrogen and hydrogen by the reversible reaction
below.
𝑁𝑁2 + 3𝐻𝐻2 ↔ 2𝑁𝑁𝑁𝑁3
From the thermodynamic point of view the process is favoured at high pressure and low
temperatures. However, the kinetics (the rate of reaction) are favoured at high pressures and
high temperatures. Therefore, there is a trade-off between conversion, which is high at lower
temperatures, and the rate of the reaction, which is high at high temperatures.
Ammonia can be produced over an iron-based catalyst. The most used rate expression for
the reaction is the Temkin and Pyzhev rate equation which has the following form:

𝒑𝒑𝑵𝑵𝟐𝟐 𝒑𝒑𝟏𝟏.𝟓𝟓
𝑯𝑯𝟐𝟐 𝒑𝒑𝑵𝑵𝑵𝑵 𝒌𝒌𝒌𝒌𝒌𝒌𝒌𝒌 𝑵𝑵𝟐𝟐 (1)
𝒓𝒓𝑵𝑵𝟐𝟐 = 𝒇𝒇 �𝒌𝒌𝟏𝟏 − 𝒌𝒌−𝟏𝟏 𝟏𝟏.𝟓𝟓𝟑𝟑 � ( )
𝒑𝒑𝑵𝑵𝑵𝑵𝟑𝟑 𝒑𝒑𝑯𝑯 𝒎𝒎𝟑𝟑 𝒉𝒉
𝟐𝟐

Where 𝑟𝑟𝑁𝑁2 is the rate of nitrogen consumption per unit volume of catalyst per hour, 𝑓𝑓 is a
catalyst activity factor, and 𝑝𝑝𝑖𝑖 is the partial pressure of component 𝑖𝑖 in the gas. 𝑘𝑘1 and 𝑘𝑘−1are
the rate constant for the forward and reverse reaction respectively and are given in the
Arrhenius equation as follows:
The forward reaction
𝑬𝑬𝟏𝟏 (2)
𝒌𝒌𝟏𝟏 = 𝒌𝒌𝒐𝒐𝒐𝒐 𝐞𝐞𝐞𝐞𝐞𝐞 �− �
𝑹𝑹𝑹𝑹

𝒌𝒌𝒌𝒌𝒌𝒌𝒌𝒌
𝒌𝒌𝒐𝒐𝒐𝒐 = 𝟏𝟏. 𝟕𝟕𝟕𝟕𝟗𝟗𝟗𝟗𝟗𝟗 × 𝟏𝟏𝟏𝟏𝟒𝟒
𝒎𝒎𝟑𝟑 𝒉𝒉𝒉𝒉 𝒂𝒂𝒂𝒂𝒂𝒂𝟏𝟏.𝟓𝟓
𝒌𝒌𝒌𝒌𝒌𝒌𝒌𝒌
𝑬𝑬𝟏𝟏 = 𝟐𝟐𝟐𝟐 𝟖𝟖𝟖𝟖𝟖𝟖
𝒌𝒌𝒌𝒌𝒌𝒌𝒌𝒌

The reverse reaction

𝑬𝑬−𝟏𝟏 (3)
𝒌𝒌−𝟏𝟏 = 𝒌𝒌𝒐𝒐−𝟏𝟏 𝐞𝐞𝐞𝐞𝐞𝐞 �− �
𝑹𝑹𝑹𝑹

𝒌𝒌𝒌𝒌𝒌𝒌𝒌𝒌 𝒂𝒂𝒂𝒂𝒂𝒂𝟎𝟎.𝟓𝟓
𝒌𝒌𝒐𝒐−𝟏𝟏 = 𝟐𝟐. 𝟓𝟓𝟓𝟓𝟓𝟓𝟓𝟓 × 𝟏𝟏𝟏𝟏𝟏𝟏𝟏𝟏
𝒎𝒎𝟑𝟑 𝒉𝒉𝒉𝒉
𝒌𝒌𝒌𝒌𝒌𝒌𝒌𝒌
𝑬𝑬−𝟏𝟏 = 𝟒𝟒𝟒𝟒 𝟒𝟒𝟒𝟒𝟒𝟒
𝒌𝒌𝒌𝒌𝒌𝒌𝒌𝒌

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One mathematical problem that may occur with the rate expression in eq.(1) is that at very
low or zero partial pressure of NH3, the rate will tend to infinity or hit a division by zero during
the calculations because of the first term of the equation. To avoid this challenge, one may
multiply the rate expression in eq.(1) by the factor :
𝐾𝐾3 𝑝𝑝𝑁𝑁𝑁𝑁3
1 + 𝐾𝐾3 𝑝𝑝𝑁𝑁𝑁𝑁3

And thus, the rate expression becomes:

𝒑𝒑𝟐𝟐𝑵𝑵𝑵𝑵𝟑𝟑 (4)
𝒌𝒌𝟏𝟏 𝒑𝒑𝑵𝑵𝟐𝟐 𝒑𝒑𝟏𝟏.𝟓𝟓
𝑯𝑯𝟐𝟐 − 𝒌𝒌−𝟏𝟏
⎛ 𝒑𝒑𝟏𝟏.𝟓𝟓
𝑯𝑯𝟐𝟐 ⎞ 𝒌𝒌𝒌𝒌𝒌𝒌𝒌𝒌 𝑵𝑵𝟐𝟐
𝒓𝒓𝑵𝑵𝟐𝟐 = 𝒇𝒇𝑲𝑲𝟑𝟑 ⎜ ⎟ ( )
𝟏𝟏 + 𝑲𝑲𝟑𝟑 𝒑𝒑𝑵𝑵𝑵𝑵𝟑𝟑 𝒎𝒎𝟑𝟑 𝒉𝒉
⎝ ⎠

Assume that 𝑓𝑓 = 4.75 and 𝐾𝐾3 = 2𝑎𝑎𝑎𝑎𝑎𝑎−1

You may also assume the bulk density of the catalyst to be 1200 kg/m3
The catalyst bed voidage is assumed to be 0.33.

9. Appendix C: Kinetics for the low and high temperature water-gas shift
reaction
The water-gas shift reaction involves the conversion of CO and water to H2 and CO2 according to the
following reaction:

𝐶𝐶𝐶𝐶 + 𝐻𝐻2 𝑂𝑂 ↔ 𝐻𝐻2 + 𝐶𝐶𝐶𝐶2

The reaction is exothermic and therefore, low temperatures favour high equilibrium conversion, but
the kinetics are favoured at high temperatures. Therefore, in industrial applications the shift
reaction is done in two steps, a high temperature step followed by a low temperature step, in order
to achieve high reaction rates at high temperatures but also push the conversion equilibrium high at
low temperatures.

Low temperature water gas shift kinetics:

For this design the following rate expression can be used for the sizing of the low temperature water
gas shift reactor. This reaction rate is for a copper/zinc oxide/alumina catalyst and uses the
Langmuir-Hinshelwood model and operates between 453 – 553 kelvin.
−454.3
0.92𝑒𝑒 𝑇𝑇 𝑝𝑝𝐶𝐶𝐶𝐶 𝑝𝑝𝐻𝐻2 𝑂𝑂 (1 − 𝛽𝛽)
(−𝑟𝑟𝐶𝐶𝐶𝐶 ) = 2
101.5 158.3 2737.9 1596.1
�1 + 2.2𝑒𝑒 𝑇𝑇 𝑝𝑝𝐶𝐶𝐶𝐶 + 0.4𝑒𝑒 𝑇𝑇 𝑝𝑝𝐻𝐻2 𝑂𝑂 + 0.0047𝑒𝑒 𝑇𝑇 𝑝𝑝𝐶𝐶𝐶𝐶2 + 0.05𝑒𝑒 𝑇𝑇 𝑝𝑝𝐻𝐻2 �
1 𝑝𝑝𝐶𝐶𝐶𝐶2 𝑝𝑝𝐻𝐻2
Where 𝛽𝛽 = 𝐾𝐾
𝑒𝑒 𝑝𝑝𝐶𝐶𝐶𝐶 𝑝𝑝𝐻𝐻2 𝑂𝑂

Note the following units: (−𝑟𝑟𝐶𝐶𝐶𝐶 ) [𝑚𝑚𝑚𝑚𝑚𝑚 𝑔𝑔−1 𝑠𝑠 −1 ]

𝐸𝐸𝑎𝑎 [𝑘𝑘𝑘𝑘 𝑚𝑚𝑚𝑚𝑚𝑚 −1 ] (activation energy)

Page 8 of 9
 𝑘𝑘 [𝑚𝑚𝑚𝑚𝑚𝑚 𝑔𝑔−1 𝑠𝑠 −1 at −2 ] (rate coefficient)

𝑘𝑘𝑜𝑜 [𝑚𝑚𝑚𝑚𝑚𝑚 𝑔𝑔−1 𝑠𝑠 −1 at −2 ] (Pre- exponential factor)

𝐾𝐾𝑗𝑗 [at −1 ] (adsorption equilibrium constant for component j)

𝑃𝑃 [at] (rate coefficient)

𝑇𝑇 [K]
High temperature water-gas shift kinetics:

For the high temperature shift reactor, a copper promoted iron chromium oxide-based high-
temperature catalyst will be used up to a maximum temperature of 4700C. The rate is given in the
form of the Power-law expression as follows:

−111
1.03 −0.36 −0.09
1 𝑝𝑝𝐶𝐶𝐶𝐶2 𝑝𝑝𝐻𝐻2
𝑟𝑟 = 102.845 𝑒𝑒 𝑅𝑅𝑅𝑅 𝑝𝑝𝐶𝐶𝐶𝐶 𝑝𝑝𝐶𝐶𝐶𝐶2 𝑝𝑝𝐻𝐻2 �1 − �
𝐾𝐾𝑒𝑒 𝑝𝑝𝐶𝐶𝐶𝐶 𝑝𝑝𝐻𝐻2 𝑂𝑂

Where: 𝑟𝑟[ 𝑚𝑚𝑚𝑚𝑚𝑚 𝑔𝑔𝑔𝑔𝑔𝑔𝑡𝑡 −1 𝑠𝑠 −1 ]

T [K]

𝑅𝑅 = 8.3144 × 10−3 𝑘𝑘𝑘𝑘𝑚𝑚𝑚𝑚𝑚𝑚 −1 𝐾𝐾 −1

E = activation energy [kJ/mol]

𝐾𝐾𝑒𝑒 in both the low-temperature and the high-temperature rate expressions is the equilibrium
constant of the shift reaction and is given by the following expression:
8240
𝐾𝐾𝑒𝑒 = 𝑒𝑒𝑒𝑒𝑒𝑒 � − 4.33�
𝑇𝑇
where 𝑇𝑇 is in degrees 𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅

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