Aspen Plus DWSIM Simulation

Aspen Plus DWSIM Simulation
1. While creating a simulation case in Aspen Plus/DWSIM, describe with at least one
example how will you perform the following tasks.
a) Specify Components
b) Specify Properties
c) Model Library in Aspen Plus/DWSIM and its description.
d) Place Units on Flowsheet
e) Connect the Units with Streams
f) Specify the Input Streams
g) Specify Block Parameters
Creating a simulation case in Aspen Plus or DWSIM involves several steps to define the components,
properties, flowsheet layout, and input parameters. Here’s how you can perform each task with an
example case of simulating a simple distillation process:
Example Case: Simulating a Simple Distillation Process for a Methanol-Water

Mixture
a) Specify Components
In Aspen Plus or DWSIM, components are the chemical species involved in the process.
1. Aspen Plus: Go to the "Components" tab and select "Specification." Add components like
Methanol and Water by searching in the Aspen database.
2. DWSIM: In the Components section, add Methanol and Water from the built-in component
database.
b) Specify Properties
Property selection defines the thermodynamic model to calculate properties like phase equilibria.
1. Aspen Plus: Go to the "Properties" tab, and choose a thermodynamic property model (e.g., NRTL
for non-ideal systems like methanol-water).
2. DWSIM: Under Properties, select a thermodynamic package, such as NRTL or UNIQUAC, which
is suitable for polar systems and provides accurate VLE data.
c) Model Library in Aspen Plus/DWSIM and Its Description
The model library contains predefined unit operation models.
1. Aspen Plus: The "Model Library" provides a wide range of unit operations like distillation
columns, reactors, heat exchangers, and more. Each model has parameters that can be tuned
based on process requirements.
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2. DWSIM: Similar to Aspen, DWSIM offers units like reactors, columns, separators, etc. The
description for each model in the library details its functionality, equations used, and application
scenarios.
For example, the RadFrac column in Aspen Plus is a rigorous distillation model suitable for multi-
component separation processes.
d) Place Units on Flowsheet
Adding unit operations to the flowsheet visually constructs the process flow.
1. Drag a Distillation Column from the model library to the flowsheet.

2. Add other units as required, like pumps or heat exchangers.
e) Connect the Units with Streams
Connecting streams ensures that material, energy, or information flows between units.
1. Aspen Plus: Select "Streams" and connect the input and output of the distillation column. For
example, a feed stream entering the column and distillate and bottoms streams leaving it.
2. DWSIM: Click on each unit’s inlet and outlet points and connect them with streams. Label them
accordingly, such as "Feed," "Distillate," and "Bottoms."
f) Specify the Input Streams
Define the composition, temperature, pressure, and flow rate of feed streams.
1. Aspen Plus: Under "Streams," specify Methanol-Water as the components, with a chosen flow
rate, pressure, and temperature (e.g., 100 kmol/hr, 1 atm, 70 °C).
2. DWSIM: Input similar conditions for the feed stream.
g) Specify Block Parameters
Define the operation parameters for each unit.
1. Aspen Plus: Set parameters for the distillation column, such as the number of stages, reflux
ratio, and condenser pressure.
2. DWSIM: Specify the equivalent parameters, such as stage count and reboiler duty, under the
column’s configuration tab.
By following these steps in Aspen Plus or DWSIM, you can build a basic distillation process simulation,
allowing you to observe the separation efficiency, component recovery, and energy requirements.
2. Formulate how NPSHA and NPSHR are computed in Aspen Plus/DWSIM

Describe each term (with units) in this equation by taking an example.
Net Positive Suction Head (NPSH) is a critical factor in pump operations to prevent cavitation, ensuring
that the liquid pressure at the pump’s suction is sufficient to avoid vaporization. In Aspen Plus and
DWSIM, NPSH calculations are typically used in flow simulations involving pumps, where you define
the Available NPSH (NPSHA) and compare it to the Required NPSH (NPSHR) of the pump.
Definitions of NPSHA and NPSHR
NPSHA (Net Positive Suction Head Available): This is the head (pressure) available at the pump
inlet, accounting for the static and atmospheric pressure minus any losses. It’s usually calculated
in meters (m) of fluid or in kilopascals (kPa).
NPSHR (Net Positive Suction Head Required): This is the minimum NPSH required by the pump
to avoid cavitation, a specification typically provided by the pump manufacturer. It is also
measured in meters (m) of fluid or in kilopascals (kPa).
NPSHA Formula
The general formula for NPSHA is:
(Patm + Pstatic − Pvapor − Pfriction losses )

NPSHA =

ρ⋅g

Where:
Patm : Atmospheric pressure (in Pa or kPa)

Pstatic : Static pressure due to liquid height in the suction vessel, often calculated as ρ ⋅ g ⋅ H ,

where H is the height of liquid column (in m)

Pvapor : Vapor pressure of the liquid at the suction temperature (in Pa or kPa)

Pfriction losses : Pressure losses due to friction in the suction line (in Pa or kPa)

ρ: Density of the fluid (in kg/m³)

2
g : Gravitational acceleration, 9.81 m/s
Example Calculation in Aspen Plus/DWSIM
Consider a water pump where:
Atmospheric Pressure (Pₐₜₘ): 101.3 kPa

Static Pressure Head (Pₛₜₐₜᵢ꜀): 20 meters of water column (mWC)
Vapor Pressure (Pᵥₐₚₒᵣ) at the operating temperature: 3 kPa
Frictional Losses (Pₚₐᵣₜₜₒᵣ) in the suction line: 5 kPa
1. Convert static pressure head into pressure units:
Pstatic = ρ ⋅ g ⋅ H = 1000 kg/m3 × 9.81 m/s2 × 20 m = 196.2 kPa

2. Substitute into the NPSHA formula:
(101.3 + 196.2 − 3 − 5) 289.5

NPSHA = = = 29.52 meters of water column (mWC
ρ⋅g 1000 × 9.81

Setting Up NPSHA and NPSHR in Aspen Plus/DWSIM
1. Aspen Plus: In the pump unit operation block, you can set the suction conditions and then
request Aspen to calculate NPSHA based on the defined inlet pressure and fluid properties.
Aspen then compares it against the user-specified NPSHR to assess if the conditions meet
cavitation prevention requirements.
2. DWSIM: Similarly, DWSIM provides an NPSH calculator within the pump setup, where you specify
the required inlet parameters, and DWSIM computes NPSHA. You can compare this against a set
NPSHR to evaluate if the design meets operational safety standards.
Ensuring that NPSHA > NPSHR is essential for safe pump operation, preventing cavitation and
prolonging equipment life.
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The enthalpy balance (heat balance) in a simple heat exchanger is described by the
following equation. Explain each term with units.
The enthalpy balance equation provided for a simple heat exchanger is:
q = m(hout − hin ) + qloss
Where:
q : Heat transferred in the heat exchanger (J/s or W).

m: Mass flow rate of the fluid (kg/s).
hout : Specific enthalpy of the fluid at the outlet temperature (J/kg).

hin : Specific enthalpy of the fluid at the inlet temperature (J/kg).

qloss : Heat loss to the surroundings (J/s or W).

This equation expresses the total heat added or removed by the heat exchanger, accounting for any
losses to the surroundings.
The specific enthalpies hin and hout are defined as:

Tin
hin = ∫

cp,in dT + Δvhin

Tref
Tout
hout = ∫

cp,out dT + Δvhout

Tref
Where:
Tref : Reference temperature, usually a fixed value such as 0°C or 25°C (K or °C).

Tin : Inlet temperature of the fluid (K or °C).

Tout : Outlet temperature of the fluid (K or °C).

cp,in : Specific heat capacity at constant pressure at the inlet (J/kg·K).

cp,out : Specific heat capacity at constant pressure at the outlet (J/kg·K).

Δvhin and Δvhout : Enthalpy changes due to phase change, chemical reactions, or mixing

effects at the inlet and outlet, respectively (J/kg).
In summary, the enthalpy balance considers the heat added or removed by the heat exchanger,
including changes in specific enthalpy due to temperature, possible phase changes, and any losses.
This balance is essential for designing and analyzing the thermal performance of heat exchangers.
Describe the method for Detailed Design and Simulation of Heat Exchangers in
Aspen plus/DWSIM
The detailed design and simulation of heat exchangers in Aspen Plus and DWSIM involve selecting the
appropriate heat exchanger model, setting up process conditions, performing thermal and hydraulic
calculations, and optimizing the design. Here’s a step-by-step method to design and simulate heat
exchangers in these software tools:
1. Define the Process Requirements
Before starting the design, identify the following key requirements:
Inlet and outlet temperatures for both the hot and cold streams.
Flow rates of the streams.
Operating pressures for both streams.
Type of heat exchanger based on process requirements, e.g., shell and tube, plate, or air-
cooled.
2. Select the Heat Exchanger Model
Both Aspen Plus and DWSIM provide various heat exchanger models suitable for different
applications:
Aspen Plus: Use the HeatX model for rigorous heat exchanger simulations. HeatX supports
different types like shell-and-tube, plate, and double-pipe exchangers.
DWSIM: Go to the Heat Exchanger unit operation in the flowsheet, and choose the type (e.g.,
shell-and-tube or plate).
3. Set Up the Streams
Define the inlet and outlet streams for the heat exchanger:
Specify feed streams for both the hot and cold sides, with properties such as temperature,
pressure, composition, and flow rate.
Add outlet streams, which will calculate the outlet properties based on heat transfer and
pressure drop.
4. Define Thermal and Physical Properties
Thermodynamic Model: Choose a thermodynamic model (e.g., Peng-Robinson, NRTL) that

accurately predicts phase equilibria and enthalpies for the working fluids.
Component Properties: Ensure that each component in the streams has appropriate physical
property data (e.g., heat capacity, thermal conductivity, viscosity) to allow accurate heat transfer
and pressure drop calculations.
5. Specify Design Parameters
Specify detailed parameters based on the type of heat exchanger:
Tube Side: Define the tube diameter, length, and arrangement (e.g., U-tube, straight tube).
Shell Side: Define shell diameter, baffle spacing, and baffle cut (for shell-and-tube).
Material: Specify the material of construction, which affects thermal conductivity and pressure
resistance.
6. Specify Operating Parameters
Enter operating conditions such as:
Inlet Temperatures and Outlet Temperatures (if known).

Pressure Drops (optional, or let the software calculate them).
Heat Duty: Set the desired heat duty (if known) or allow the program to calculate it based on
temperature specifications.
7. Run the Simulation
After setting up the parameters, run the simulation to let Aspen Plus or DWSIM perform the
calculations. The software will:
Calculate the heat duty based on the inlet and outlet conditions.
Determine temperature profiles along the heat exchanger.
Compute pressure drops for both streams.
Provide information on the heat transfer coefficient and fouling factors if specified.
8. Analyze the Results
Review the simulation results to assess the performance of the heat exchanger:
Outlet Temperatures: Check if the outlet temperatures meet design requirements.

Pressure Drops: Ensure pressure drops are within acceptable limits.
Heat Duty and Effectiveness: Evaluate if the heat exchanger meets the required heat transfer
duty and thermal effectiveness.
9. Optimize the Design (if necessary)
If the heat exchanger doesn’t meet performance targets, adjust the design parameters and rerun the
simulation. Common adjustments include:
Changing the number of tube passes or tube diameter.

Modifying baffle spacing or baffle cut to improve shell-side heat transfer.
Adjusting flow rates if possible to achieve the desired outlet temperatures.
10. Export Design Specifications (Aspen Plus Only)
Aspen Plus offers a detailed design specification export to other Aspen products, such as Aspen
Exchanger Design & Rating (EDR). This tool provides a more rigorous and specialized design
environment for advanced heat exchanger analysis, including mechanical design considerations.
Summary of Tools and Features in Aspen Plus and DWSIM:
Aspen Plus: Offers the HeatX model, which is suitable for both rating and simulation of heat
exchangers. Aspen EDR integration enables detailed exchanger design with mechanical
considerations.
DWSIM: Provides basic design and simulation capabilities for shell-and-tube and plate heat
exchangers. It includes standard parameters for setting up simple heat exchanger designs.
By following these steps in Aspen Plus or DWSIM, you can design and simulate a heat exchanger with
a detailed understanding of the thermal and hydraulic performance.
5. Highlight the steps for Rigorous Shell and Tube Heat Exchanger Design Using EDR
and explain the TEMA specification.
Rigorous Shell and Tube Heat Exchanger design using Aspen Exchanger Design and Rating (EDR)
involves detailed thermal and hydraulic calculations, mechanical design, and optimization to ensure
efficient heat transfer and reliability. Aspen EDR allows for in-depth analysis, making it a popular
choice for designing complex heat exchangers to industry standards, including TEMA (Tubular
Exchanger Manufacturers Association) specifications.
Here’s a step-by-step guide to designing a shell and tube heat exchanger in Aspen EDR and an
explanation of TEMA specifications.
Steps for Rigorous Shell and Tube Heat Exchanger Design Using Aspen EDR
1. Define Process Requirements and Select Heat Exchanger Type
Start by identifying process conditions such as inlet and outlet temperatures, flow rates,
pressure limits, and heat duty requirements.
Choose Shell and Tube as the type of heat exchanger for the process. Aspen EDR provides
various configurations for shell and tube exchangers.
2. Specify Thermal Properties and Components

Choose a thermodynamic model appropriate for the fluid types (e.g., Peng-Robinson,
NRTL) to ensure accurate phase behavior and property predictions.
Define fluid properties, compositions, and any potential fouling factors on both the shell
and tube sides.
3. Set Up Shell and Tube Configuration

Select the shell and tube arrangement based on process requirements, such as single-
pass, multi-pass, U-tube, or fixed tube-sheet design.
Define the tube side and shell side parameters, including tube diameter, tube length, tube
pitch, and tube layout (e.g., triangular, square).
Choose the shell type, baffle type, baffle spacing, and cut. For instance, use segmental
baffles to direct fluid flow and enhance heat transfer.
4. Enter TEMA Specification Details

Specify the TEMA designation for the heat exchanger based on operational and
maintenance needs (e.g., TEMA BEM, TEMA AES).
Define TEMA standards for mechanical dimensions, nozzle placements, and shell
configurations to comply with industry standards.
5. Input Mechanical and Operational Design Parameters

Enter parameters such as design pressure, temperature limits, corrosion allowance, and
material of construction.
Define pressure drops allowable on both shell and tube sides, as well as required
mechanical tolerances and tube thickness.
6. Specify Heat Transfer and Pressure Drop Constraints

Set constraints for maximum allowable pressure drops on the shell and tube sides to
ensure the exchanger operates efficiently within the system.
Define the heat transfer coefficient and fouling resistance on both sides based on
process and fluid properties.
7. Run Simulation and Perform Thermal and Hydraulic Calculations

Run the simulation to perform rigorous thermal and hydraulic calculations. Aspen EDR will:
Calculate heat transfer coefficients for both the shell and tube sides.
Analyze pressure drops across the exchanger.
Determine temperature profiles and heat duties.
Check for mechanical feasibility by evaluating factors like tube vibrations, flow-induced
stresses, and thermal expansion.
8. Review and Optimize Design Results
Examine the results for heat duty, temperature effectiveness, pressure drops, and
mechanical stresses.
If the design doesn’t meet specifications, adjust design parameters such as tube length,
number of passes, baffle spacing, or tube arrangement.
Rerun simulations and iterate until the design meets both thermal and mechanical
requirements.
9. Generate Design Reports and Export to Aspen Plus (Optional)

Generate a detailed design report, including thermal and mechanical specifications, TEMA
compliance, and key performance metrics.
Export the design to Aspen Plus for further integration into the plant simulation.
TEMA Specifications Explained
TEMA (Tubular Exchanger Manufacturers Association) sets standards for shell and tube heat
exchanger design, fabrication, and testing to ensure quality, reliability, and ease of maintenance.
TEMA specifications are widely used in industries like oil & gas, chemical processing, and power
generation.
1. TEMA Designation Codes:

TEMA uses a three-letter code system to describe the exchanger configuration. For
example:
BEM: Fixed tube sheet design with a bonnet cover on the channel side and single-pass
shell.
AES: Externally sealed floating head with removable cover on the channel side and
single-pass shell.
K: Indicates kettle reboilers or exchangers designed for vaporization applications.
Each letter represents a part of the exchanger:
First letter: Channel type (e.g., A, B, C).
Middle letter: Shell type (e.g., E, F, G).
Last letter: Rear head type (e.g., M, N, S).
2. Mechanical and Operational Standards:

TEMA specifies minimum thicknesses, tolerances, and materials for various parts of the
exchanger to ensure durability and safety.
Guidelines for nozzle placement, shell diameters, and tube sheet configurations are
provided to optimize flow distribution and maintenance accessibility.
3. Standards for Maintenance and Cleaning:

TEMA designs are categorized to allow for different levels of cleaning and maintenance:
Fixed Tube Sheet (BEM): Simple and cost-effective but limited in maintenance
options.
Floating Head (AES): Allows for easy cleaning of both shell and tube sides, making it
suitable for fouling fluids.
U-Tube: Allows tube bundle removal, enabling cleaning of the outer tube side but
limiting access to the inner side.
4. Thermal and Hydraulic Standards:
TEMA provides guidelines on heat transfer coefficients, pressure drops, and flow-induced
vibration considerations to optimize the exchanger’s performance and reliability.
In summary, TEMA specifications ensure that the design and construction of shell and tube heat
exchangers meet industry standards for performance, durability, and maintenance. By following TEMA
standards in Aspen EDR, designers can create exchangers that are both efficient and compliant with
industry regulations.
Write the major steps of calculation in Rigorous Methods for column design
(Distillation and Absorption)
Rigorous methods for column design in distillation and absorption involve detailed calculations to
determine the number of stages, tray efficiencies, column diameter, and energy requirements. These
methods are implemented in software like Aspen Plus, Aspen HYSYS, and DWSIM, but understanding
the underlying steps is essential for accurate column design. Here are the major steps involved in
rigorous column design:
1. Define the Process Requirements and System Conditions
Feed Specifications: Identify the feed composition, flow rate, temperature, and pressure.
Separation Goals: Define the desired purity levels of the top and bottom products.
Operating Pressure: Set the operating pressure of the column, which affects relative volatility
and energy consumption.
Thermodynamic Model: Select an appropriate thermodynamic model (e.g., Peng-Robinson,
NRTL) to predict vapor-liquid equilibrium (VLE) for the system accurately.
2. Determine the Minimum Number of Stages (Under Ideal Conditions)
For Distillation: Use the Fenske Equation to estimate the minimum number of theoretical
stages required to achieve the desired separation.
For Absorption: Perform an equilibrium-stage analysis to calculate the minimum stages
required based on component absorption rates.
3. Calculate Minimum Reflux Ratio
For Distillation: Use the Underwood Equation to determine the minimum reflux ratio. This is
the lowest reflux ratio at which the desired separation can be achieved with an infinite number of
stages.
For Absorption: Calculate the minimum solvent rate required to achieve the desired separation.
4. Determine Operating Reflux Ratio and Actual Number of Stages
Reflux Ratio: Choose an operating reflux ratio, typically 1.2–1.5 times the minimum reflux ratio
to balance between column size and energy consumption.
McCabe-Thiele or Ponchon-Savarit Method: For binary distillation, use these graphical
methods to estimate the number of stages.
Rigorous Stage-by-Stage Calculation: For multicomponent systems, use a rigorous stage-by-
stage calculation approach (such as the MESH equations – Mass balance, Equilibrium,
Summation, and Heat balance) to determine the number of actual stages required.
5. Estimate Column Height and Tray Spacing (for Tray Columns)
For Tray Columns:

Determine Tray Efficiency (Murphree or Overall Efficiency), based on factors such as liquid
and vapor contact time, turbulence, and surface area.
Calculate the column height using the estimated number of stages and chosen tray
spacing.
For Packed Columns:
Calculate packing height using the Height Equivalent to a Theoretical Plate (HETP) or
Height of Transfer Units (HTU), based on the mass transfer efficiency of the packing
material.
6. Calculate Column Diameter
Vapor-Liquid Traffic: Determine the vapor and liquid flow rates on each stage.
Flooding Velocity: Calculate the flooding velocity based on the system properties and ensure
that the vapor velocity is below the flooding limit (typically around 70-80% of flooding velocity).
Column Diameter: Based on vapor velocity and allowable liquid entrainment, determine the
column diameter using empirical correlations or design equations.
7. Perform Energy Balance and Reboiler/Condenser Sizing
Reboiler Duty: Calculate the heat duty required in the reboiler to vaporize the bottom stream.
Condenser Duty: Calculate the heat duty required in the condenser to cool and condense the
top vapor stream.
Heat Exchanger Design: Based on the calculated heat duties, perform a preliminary design for
the reboiler and condenser, considering factors like heat transfer area, temperature differences,
and allowable pressure drops.
8. Optimize Column Design and Check for Operating Constraints
Tray/Pack Efficiency: Adjust tray or packing efficiency based on real operating conditions to
reflect potential inefficiencies.
Pressure Drops: Ensure that the pressure drops across the column, trays, or packing are within
acceptable limits.
Energy Optimization: Analyze the trade-off between reflux ratio and the number of stages to
minimize operating costs, typically by minimizing reboiler and condenser duties.
9. Run Rigorous Simulation in Process Software
Enter all design parameters into a process simulation software like Aspen Plus, Aspen HYSYS, or
DWSIM.
Perform a rigorous stage-by-stage calculation using built-in algorithms (e.g., Wang-Henke or
Inside-Out method) that solve the MESH equations to verify the hand calculations and ensure
the column meets the design specifications.
Adjust design parameters based on simulation results, if necessary, and rerun until the design
meets performance targets.
10. Review and Document the Final Design
Generate Reports: Obtain a detailed report of the column design, including stage compositions,
temperatures, pressures, and energy requirements.
Mechanical Design: Consider mechanical factors such as tray/packing support, column
internals, and structural requirements.
Safety and Control Considerations: Review the design for potential safety issues (like
overpressure) and ensure the design allows for appropriate control systems to maintain stable
operation.
By following these steps, a rigorous column design for distillation or absorption can be achieved,
ensuring that the column meets both the separation and operational requirements.
10. Explain the flowsheet connectivity of a Radfrac model in Aspen plus/ ChemSep
model in DWSIM and how the specify each section of this block.
The Radfrac model in Aspen Plus and the ChemSep model in DWSIM are used for rigorous
simulation of distillation and absorption columns. These models allow for detailed calculations of
vapor-liquid equilibrium, stage-by-stage mass and energy balances, and component separations.
Here’s how flowsheet connectivity is established in each model and the steps for specifying each
section:
1. Flowsheet Connectivity of Radfrac Model in Aspen Plus
The Radfrac block in Aspen Plus is a rigorous distillation model commonly used for multicomponent
separations, such as distillation or absorption. The flowsheet connectivity and setup steps are as
follows:
Column Feed Streams: Specify feed streams that enter at designated stages. The feed can
include liquid or vapor streams, and you can place them at any stage based on the feed stage
location.
Product Streams: Connect the product streams to the top and bottom of the Radfrac block.
Distillate: The vapor or liquid product exiting from the top of the column (condenser).
Bottoms Product: The liquid product exiting from the bottom of the column (reboiler).
Condenser and Reboiler:
Condenser: The Radfrac block includes a condenser section where overhead vapor is
condensed. You can choose between a total or partial condenser.
Reboiler: The block also has a reboiler section to vaporize the bottoms product and provide
the heat required for separation.
Specifying Each Section of the Radfrac Model
1. Feed Section:
Feed Stream: Specify the feed stream properties such as flow rate, composition,
temperature, and pressure.
Feed Stage Location: Define the stage at which the feed enters the column. This stage
impacts the separation efficiency and distribution of components.
2. Column Configuration:
Number of Stages: Define the total number of theoretical stages (including condenser and
reboiler stages).
Operating Pressure: Set the pressure profile along the column, which can be constant or
varying stage-by-stage.
Reflux Ratio: Specify the reflux ratio, which determines the amount of liquid returned to
the top of the column versus the amount taken as distillate.
3. Condenser Section:
Condenser Type: Select between a total condenser (all vapor is condensed to liquid) or
partial condenser (only a portion of the vapor is condensed).
Reflux Ratio or Distillate Rate: Set the reflux ratio (for total condensers) or specify a
distillate flow rate.
4. Reboiler Section:
Reboiler Type: Choose a kettle reboiler, thermosiphon, or partial reboiler. The reboiler
provides the heat needed to drive the separation.
Boilup Rate: Specify the boilup rate, or alternatively, define the bottom product rate if
known.
5. Convergence Parameters:
Thermodynamic Property Method: Select an appropriate property method (e.g., Peng-
Robinson, NRTL) for accurate vapor-liquid equilibrium (VLE) calculations.
Convergence Criteria: Adjust convergence parameters to ensure numerical stability and
faster solution times.
2. Flowsheet Connectivity of ChemSep Model in DWSIM
The ChemSep model in DWSIM is used for rigorous distillation, absorption, and stripping simulations.
It offers a similar level of detail as the Radfrac model in Aspen Plus but within the DWSIM
environment.
Feed Streams: Connect feed streams to the appropriate stages within the ChemSep model.
Multiple feeds can be added at different stages.
Product Streams: Similar to Radfrac, connect product streams for both the top (distillate) and
bottom (bottoms product).
Distillate/Top Product: The vapor or liquid product that exits from the top.
Bottoms Product: The liquid product that exits from the bottom.
Specifying Each Section of the ChemSep Model
1. Feed Section:
Feed Stream Properties: Define the feed’s flow rate, temperature, pressure, and
composition.
Feed Stage: Specify the exact stage number where each feed stream enters, which affects
the separation efficiency.
2. Column Configuration:
Number of Stages: Enter the total number of equilibrium stages (inclusive of condenser
and reboiler).
Pressure Profile: Specify the operating pressure for each stage, either as a constant value
or a profile along the column.
3. Condenser Section:
Condenser Type: Choose between a total and partial condenser. For distillation columns,
the type of condenser impacts the separation of light components.
Reflux Ratio or Reflux Flow Rate: Set the reflux ratio for total condensers or specify a
reflux flow rate if known.
4. Reboiler Section:
Reboiler Type: Choose an appropriate reboiler type based on the process needs.
Boilup Ratio or Bottom Product Rate: Define either the boilup ratio or specify the
bottoms product flow rate.
5. Thermodynamic and Convergence Settings:

Property Package: Select a thermodynamic property package to calculate VLE accurately.
Convergence Criteria: Set convergence parameters to ensure that the model converges to
an accurate solution, especially for multicomponent separations.
Summary
In both Aspen Plus and DWSIM, establishing flowsheet connectivity for the Radfrac and ChemSep
models involves connecting feeds and products to the correct stages and specifying configuration
details like the number of stages, operating pressures, reflux ratio, and thermodynamic properties.
Each section (feed, condenser, reboiler, etc.) requires detailed specifications to model the separation
process accurately and ensure convergence.
Aspen Plus’s Radfrac and DWSIM’s ChemSep provide rigorous calculations for multistage separation
processes, making them suitable for complex industrial applications like distillation and absorption.
11. You are required to do an Azeotropic and Extractive Distillation. Write the major
steps to formulate it with flow diagram.
Azeotropic and extractive distillation are advanced separation techniques used for mixtures that
exhibit close boiling points or azeotropes, where conventional distillation would not work efficiently.
Here’s an outline of the major steps to formulate each of these processes, along with a description of
a typical flow diagram.
Azeotropic Distillation
Azeotropic Distillation is used when a binary mixture forms an azeotrope and cannot be separated
by simple distillation due to the identical composition of vapor and liquid phases at the azeotropic
point. An additional entrainer or solvent is added to break the azeotrope and alter the relative
volatilities of the components.
Major Steps for Azeotropic Distillation:
1. Define the Components and Mixture Characteristics:

Identify the binary mixture that needs to be separated and determine its azeotropic
composition and boiling point.
2. Choose an Entrainer:
Select an entrainer (a third component) that will form a new azeotrope with one of the
components in the mixture, allowing the separation to occur. The entrainer should be
chosen based on compatibility, volatility, and ease of separation from the desired product.
3. Process Flow Setup:

Feed: Introduce the feed mixture into the distillation column at an appropriate stage.
Entrainer Addition: Add the entrainer into the column at a different stage or directly into
the feed stream to alter the relative volatility of the mixture.
4. Column Design:
Design the column with sufficient stages to enable the entrainer to interact with the feed
and break the azeotrope.
Choose the operating conditions (temperature and pressure) to favor separation.
5. Separate Azeotropic Mixture:

Overhead Product: Collect the azeotropic mixture containing the entrainer and one
component at the top of the column.
Bottom Product: The other component is collected as the bottom product.
6. Entrainer Recovery and Recycle:

Use an additional distillation column or separation method to separate the entrainer from
the overhead product.
Recycle the recovered entrainer back into the main distillation column.
Flow Diagram for Azeotropic Distillation
1. Distillation Column (Main Column): Separates the feed mixture into a top azeotropic product
and a bottom product.
2. Entrainer Recovery Column: Separates the entrainer from the azeotropic mixture, allowing it to
be recycled.
3. Recycle Stream: The recovered entrainer is sent back into the main column.
Extractive Distillation
Extractive Distillation is used for separating close-boiling or azeotropic mixtures by adding a high-
boiling solvent (called an extractant or separating agent) that changes the relative volatility of the
components without forming an azeotrope.
Major Steps for Extractive Distillation:
1. Define the Components and Mixture Characteristics:

Identify the close-boiling or azeotropic mixture and determine its properties and separation
challenges.
2. Select a Solvent (Extractant):

Choose a solvent that has a high affinity for one of the components in the mixture, altering
its relative volatility in the distillation column.
The solvent should be chosen to minimize interaction with the desired product.
3. Process Flow Setup:

Feed: Introduce the feed mixture into the main distillation column.
Solvent Addition: Add the solvent at a higher stage than the feed to interact with the
mixture and alter the relative volatility of the components.
4. Column Design:
Design the distillation column with sufficient stages to allow effective interaction between
the solvent and feed components.
Set operating conditions to maximize the separation effect caused by the solvent.
5. Separate Components:
Overhead Product: Collect the desired product at the top of the column.
Bottom Product: The solvent and the other component are removed as the bottom
product.
6. Solvent Recovery and Recycle:

Use an additional column to separate the solvent from the undesired component in the
bottom product.
Recycle the solvent back into the main distillation column.
Flow Diagram for Extractive Distillation
1. Extractive Distillation Column (Main Column): Separates the feed mixture into the desired
component (top product) and an extractant-contaminated bottom product.
2. Solvent Recovery Column: Separates the solvent from the bottom product.
3. Recycle Stream: The recovered solvent is recycled back into the main column.
Flow Diagram Overview
Below is a simplified flow diagram for each type of distillation process:
Azeotropic Distillation:
Feed → Main Column → (Top) Azeotropic Mixture + (Bottom) Component 1

Azeotropic Mixture → Entrainer Recovery Column → (Top) Component 2 + (Bottom)
Entrainer (Recycled)
Extractive Distillation:
Feed + Solvent → Extractive Distillation Column → (Top) Desired Product + (Bottom) Solvent
+ Other Component
Solvent + Other Component → Solvent Recovery Column → (Top) Other Component +
(Bottom) Solvent (Recycled)
By following these steps, azeotropic and extractive distillation processes can be effectively designed,
utilizing additional columns for entrainer or solvent recovery, as well as recycle streams to make the
process more efficient and sustainable.
8. Describe each term (with units) of the following power law rate equation used in
kinetic reactors
In the given power law rate equation:
u N
r = k ( ) e−( R )( T − T0 ) ∏ Ciσi
T E 1

1

T0
i=1
each term represents a specific parameter in the rate expression for a chemical reaction in a kinetic
reactor. Here’s a breakdown of each term:
1. r : Reaction rate
Units: mol/(L·s) or mol/(m³·s) (depending on the system's volume basis)
This is the rate at which the reactant is consumed or the product is formed.
2. k : Pre-exponential factor or frequency factor

Units: Same as r , i.e., mol/(L·s) or mol/(m³·s)
This factor represents the rate constant at the reference temperature T0 . It accounts for the

frequency of collisions that result in a reaction.
3. TT : Temperature ratio

0
Units: Dimensionless (since it is the ratio of temperatures)

T is the actual temperature of the reaction, and T0 is the reference temperature.

4. u: Temperature exponent
Units: Dimensionless
This exponent determines how sensitive the reaction rate is to changes in temperature,
beyond the effect captured by the exponential term.
−( E
R )( T
1
− T1 ) : Arrhenius-type term
5. e

0
Units: Dimensionless (as it is an exponential term)
This term adjusts the rate constant according to the actual temperature T compared to the
reference temperature T0 .
E : Activation energy
Units: J/mol or kJ/mol
Activation energy is the minimum energy required for the reaction to occur.
R: Universal gas constant

Units: J/(mol·K)
A constant used in various gas and thermodynamic equations, R relates energy to
temperature.
N σ
6. ∏i=1 Ci i : Reactant concentration term

Units: Concentration units vary, but typically mol/L or mol/m³
This term represents the combined effect of the concentrations of the reactants on the
reaction rate.
Ci : Concentration of the i-th reactant

Units: mol/L or mol/m³

The concentration of each individual reactant involved in the reaction.
σi : Reaction order with respect to the i-th reactant

Indicates the power to which the concentration of the i-th reactant is raised, defining
its influence on the reaction rate.
In summary, this equation captures how the reaction rate r depends on temperature (through both
the Arrhenius term and the temperature exponent) and reactant concentrations (through their
respective reaction orders). The combination of these terms allows for a detailed prediction of reaction
behavior under various conditions in kinetic reactors.
Describe (with each term) the applicability of the equation in a equilibrium reactor
modelling.
The equation shown is used to define the equilibrium constant Ke in the context of equilibrium

reactor modeling:
Ke = ∏ aνi i

Each term in this equation has specific significance and plays a role in determining the equilibrium
state of a chemical reaction.
Explanation of Each Term:
1. Ke : Equilibrium constant

Units: Depends on the reaction but often dimensionless for reactions involving gaseous or
ideal solutions.
Purpose: The equilibrium constant quantifies the ratio of the activities of the products to
the reactants at equilibrium for a given reaction. It reflects the position of equilibrium and
is temperature-dependent.
2. ∏i : Product notation

ν
Purpose: The product notation (∏) indicates that we take the product of all the terms ai i

for each component i involved in the reaction. This symbol represents multiplication across
all reactants and products in the reaction.
3. ai : Activity of component i

Units: Dimensionless (activities are often normalized values).
Purpose: The activity ai represents the “effective concentration” of each species in the

reaction mixture, accounting for non-ideal behavior. For ideal gases, ai can be

approximated by partial pressure (P_i) divided by a standard pressure (P⁰), while for ideal
solutions, it may approximate molarity (C_i). In non-ideal systems, activities are adjusted
based on activity coefficients.
4. νi : Stoichiometric coefficient of component i

Purpose: The stoichiometric coefficient νi is positive for products and negative for

reactants. It determines the power to which the activity of each component is raised. This
reflects the stoichiometry of the reaction and ensures that the equilibrium expression
aligns with the balanced chemical equation.
Applicability in Equilibrium Reactor Modeling:
This equation is used in equilibrium reactor models, such as those in Aspen Plus and DWSIM, to
determine the equilibrium composition of reactants and products. By knowing Ke (often obtained

from thermodynamic data at a given temperature), and the activities ai , the reactor model can

calculate the extent of the reaction that satisfies the equilibrium condition.
In Gas-Phase Reactions: Activities ai are often replaced by partial pressures or fugacities,

particularly if non-ideal behavior is significant.
In Liquid-Phase Reactions: Activities might be replaced by molar concentrations or adjusted

with activity coefficients for solutions where interactions between molecules need to be
accounted for.
This equilibrium expression allows engineers to predict the final composition in a reactor where the
reaction has reached equilibrium, guiding the optimization of conditions for maximum yield or
conversion in industrial processes.
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Aspen Plus DWSIM Simulation

Example Case: Simulating a Simple Distillation Process for a Methanol-Water

c) Model Library in Aspen Plus/DWSIM and Its Description

The model library contains predefined unit operation models.

d) Place Units on Flowsheet

1. Drag a Distillation Column from the model library to the flowsheet.

e) Connect the Units with Streams

f) Specify the Input Streams

g) Specify Block Parameters

Define the operation parameters for each unit.

2. Formulate how NPSHA and NPSHR are computed in Aspen Plus/DWSIM

Definitions of NPSHA and NPSHR

The general formula for NPSHA is:

(Patm + Pstatic − Pvapor − Pfriction losses )

Patm : Atmospheric pressure (in Pa or kPa)

where H is the height of liquid column (in m)

ρ: Density of the fluid (in kg/m³)

Example Calculation in Aspen Plus/DWSIM

Consider a water pump where:

Atmospheric Pressure (Pₐₜₘ): 101.3 kPa

1. Convert static pressure head into pressure units:

Pstatic = ρ ⋅ g ⋅ H = 1000 kg/m3 × 9.81 m/s2 × 20 m = 196.2 kPa

2. Substitute into the NPSHA formula:

(101.3 + 196.2 − 3 − 5) 289.5

q = m(hout − hin ) + qloss ​ ​ ​

q : Heat transferred in the heat exchanger (J/s or W).

hin : Specific enthalpy of the fluid at the inlet temperature (J/kg).

qloss : Heat loss to the surroundings (J/s or W).

The specific enthalpies hin and hout are defined as:

Tin : Inlet temperature of the fluid (K or °C).

cp,in : Specific heat capacity at constant pressure at the inlet (J/kg·K).

cp,out : Specific heat capacity at constant pressure at the outlet (J/kg·K).

effects at the inlet and outlet, respectively (J/kg).

1. Define the Process Requirements

Before starting the design, identify the following key requirements:

2. Select the Heat Exchanger Model

3. Set Up the Streams

4. Define Thermal and Physical Properties

Thermodynamic Model: Choose a thermodynamic model (e.g., Peng-Robinson, NRTL) that

5. Specify Design Parameters

Specify detailed parameters based on the type of heat exchanger:

6. Specify Operating Parameters

Enter operating conditions such as:

Inlet Temperatures and Outlet Temperatures (if known).

7. Run the Simulation

8. Analyze the Results

Outlet Temperatures: Check if the outlet temperatures meet design requirements.

9. Optimize the Design (if necessary)

Changing the number of tube passes or tube diameter.

10. Export Design Specifications (Aspen Plus Only)

Summary of Tools and Features in Aspen Plus and DWSIM:

2. Specify Thermal Properties and Components

3. Set Up Shell and Tube Configuration

4. Enter TEMA Specification Details

5. Input Mechanical and Operational Design Parameters

6. Specify Heat Transfer and Pressure Drop Constraints

7. Run Simulation and Perform Thermal and Hydraulic Calculations

8. Review and Optimize Design Results

9. Generate Design Reports and Export to Aspen Plus (Optional)

TEMA Specifications Explained

q = m(hout − hin ) + qloss