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Exp 5 Aryan

The document outlines a lab report by Aryan Makwana on the design of a Plug Flow Reactor (PFR) for ammonia production and a conversion reactor for methanol production using DWSIM software. It details the theoretical background, procedures for simulation, and results, including conversion rates for nitrogen, hydrogen, and carbon monoxide. The ammonia production achieved a conversion of 20.13% for nitrogen and 60.39% for hydrogen, while methanol production resulted in 78.33% conversion for carbon monoxide and 39.16% for hydrogen.

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Zack Knight
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7 views9 pages

Exp 5 Aryan

The document outlines a lab report by Aryan Makwana on the design of a Plug Flow Reactor (PFR) for ammonia production and a conversion reactor for methanol production using DWSIM software. It details the theoretical background, procedures for simulation, and results, including conversion rates for nitrogen, hydrogen, and carbon monoxide. The ammonia production achieved a conversion of 20.13% for nitrogen and 60.39% for hydrogen, while methanol production resulted in 78.33% conversion for carbon monoxide and 39.16% for hydrogen.

Uploaded by

Zack Knight
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Computer Aided Process Design Lab

Name – Aryan Makwana

Roll no. – 21BCH106D

Performance Date – 28/08/2024

Submission Date – 04/09/2024

Question-1:

Design plug flow reactor in DWSIM for the production of ammonia from nitrogen and
hydrogen. Mass is entering the reactor at 3500 kg/hr at 420 C and 200 bar with equal
mole fraction of nitrogen and hydrogen. Use Peng Robinson as property package.
Assume isothermal operation of PFR with 1 m3 and 1.5 m as volume and reactor length,
respectively. The reaction is first order with respect to nitrogen with rate constant as
0.004. (a) Find the conversion of nitrogen and hydrogen, and residence time. (b)
Generate a property table containing temperature, pressure, and mole fraction of
nitrogen, hydrogen and ammonia in the product stream.

Theory:

Ammonia (NH₃) production is a cornerstone of the chemical industry, primarily achieved


through the Haber-Bosch process. This process is vital for manufacturing fertilizers,
explosives, and various other chemicals, playing a crucial role in supporting global
agriculture by enabling the large-scale synthesis of ammonia from its elemental components.

The Haber-Bosch process involves the catalytic reaction of nitrogen (N₂) from the air with
hydrogen (H₂), typically sourced from natural gas. This reaction, which can be represented
as:

N2+3H2→2NH3

is exothermic, releasing heat as it progresses. The reaction is conducted under high


temperature and pressure, with conditions carefully controlled to optimize ammonia yield
while minimizing energy consumption.
In this study, a Plug Flow Reactor (PFR) is designed and simulated using DWSIM to model
ammonia production under specific conditions. The PFR is chosen for its ability to maintain
high reactant conversion, due to the concentration gradient along its length. The reactor
operates isothermally, meaning that the temperature is kept constant throughout the reactor.
The reaction kinetics are modeled as first-order with respect to nitrogen, simplifying the
calculation of reaction rates and conversion.

Procedure:

1. Open DWSIM and select the appropriate materials for the simulation. Choose the
Peng-Robinson property package for the thermodynamic model.
2. Add a material stream to the workspace and input the given operating conditions, such
as temperature, pressure, and flow rates.
3. Insert a Plug Flow Reactor (PFR) into the simulation and enter the specified reactor
parameters, such as volume, temperature, and pressure.
4. Navigate to the Settings menu, then go to Reactions and select Add Chemical
Reaction. Proceed to the Kinetics section.
5. In the Edit Kinetic Reactions dialog box that appears, input the necessary reaction
data, including the rate constant. Ensure the units for the rate constant are set to
kmol/m³ for the direct reaction.
6. Run the simulation and generate the master property table, which should include the
reactants' conversion rates and the molar fraction of the outlet stream.
Question-2:

For the production of methanol from the carbon monoxide and hydrogen, design a
conversion reactor using Raoult’s law. The inlet temperature is 320 0C, inlet flow rate
1500 kg/hr, and inlet pressure 70 bar. The feed consists of 20 mol% of CO and
remaining is H2. The conversion of carbon monoxide varies with temperature as XCO =
267.45-0.591T Generate master property table to show the composition of each streams.

Theory:

Methanol (CH₃OH) is a highly versatile industrial chemical, essential in the production of a


wide range of products, including formaldehyde, acetic acid, and various plastics. It is also
used as a fuel and a fuel additive. Recently, methanol has gained attention as a clean energy
carrier, particularly in renewable energy technologies and fuel cells.

Methanol is primarily produced through the catalytic hydrogenation of carbon monoxide


(CO) in the presence of hydrogen (H₂). This reaction, conducted under high temperature and
pressure conditions, is efficient and economically viable on an industrial scale. The chemical
equation for methanol production is:

CO+2H2→CH3OH

In this exothermic reaction, carbon monoxide and hydrogen react in the presence of a catalyst
to form methanol. The process is favored by high pressure and moderate temperatures.

In this study, a conversion reactor is designed to simulate the production of methanol from a
mixture of carbon monoxide and hydrogen. The reactor design assumes ideal gas behavior,
simplifying the thermodynamic modeling of the system. The conversion reactor approach
involves specifying a conversion rate for carbon monoxide as a function of temperature,
which allows for the prediction of methanol yield under specified operating conditions.

Procedure:

1. Open DWSIM: Start by opening DWSIM and selecting the materials needed for the
simulation. Choose Raoult’s Law as the property package for the thermodynamic
model.
2. Add a Material Stream: Create a material stream in the workspace and input the
given operating conditions, such as temperature, pressure, and flow rates.
3. Add Conversion Reactor: Insert a Conversion Reactor into the simulation
environment and enter the required reactor specifications, such as volume and
pressure.
4. Configure the Reaction: Navigate to Settings → Reactions → Add Chemical
Reaction and select Conversion.
5. Edit Conversion Reactions: In the Edit Conversion Reactions dialog box, input the
necessary data, specifying the conversion as a function of temperature (T). Ensure the
units for the conversion are set to kmol/m³.
6. Run the Simulation: Solve the simulation and generate the master property table,
which should include the conversion of reactants and the molar fraction of the outlet
stream.
Result :

• In the production of ammonia, we achieved a conversion of 20.13% for nitrogen and


60.39% for hydrogen, with a residence time of 50.21 seconds.
• For methanol production, the conversion rates were 78.33% for carbon monoxide and
39.16% for hydrogen.

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