EXPERIMENT: 04

To calculate the VLE data for ideal mixture and various activity coefficient models by Using
ASPEN Plus.

Objective: vapor-liquid equilibrium (VLE) data for an ideal mixture in ASPEN Plus involves
several steps. Here's a general outline to guide you through the process:

Step 1: Define the Components

1. Open ASPEN Plus and start a new simulation.
2. In the Components section, add the pure components that make up your mixture
(e.g., benzene and toluene).
Step 2: Define the Properties
1. Navigate to the Properties section.
2. Select an appropriate thermodynamic model for ideal mixtures. Common
choices include:
 Raoult's Law for ideal mixtures.
 Ideal Solution model.
Step 3: Create the Flow Sheet
1. Go to the Simulation environment.
2. Drag a Flash unit operation onto the flow sheet to analyze VLE.
3. Connect streams to the Flash unit.
Step 4: Specify the Input Conditions
1. Set the feed stream parameters:
 Specify the total flow rate.
 Input the composition of the mixture (mole fractions).
 Specify temperature or pressure.
Step 5: Run the Simulation
1. Once all inputs are set, run the simulation by clicking on the Run button.
2. Check the convergence status and make sure there are no errors.
Step 6: Analyze VLE Data
1. After the simulation is complete, go to the Results section of the Flash unit.
2. Review the VLE data:
 Vapor and liquid compositions.
 Temperature and pressure at equilibrium.
 Molar flow rates of both phases.
Step 7: Generate VLE Plots (Optional)
1. To visualize VLE data, you may want to generate plots:
 Go to the Plot tab.
 Select a relevant plot type (e.g., a bubble point or dew point curve).
 Choose the appropriate variables (e.g., temperature vs. composition).
Step 8: Save and Document Results
1. Save your simulation file for future reference.
2. Document your findings, including any specific conditions and results
obtained.
 Activity coefficient model in ASPEN Plus:
In Aspen Plus, you can use several activity coefficient models to account for
non-ideal behavior in liquid mixtures. Each model has its own strengths and
is suitable for different types of mixtures. Here's a breakdown of some
commonly used activity coefficient models and how to implement them in
Aspen Plus:
1. NRTL (Non-Random Two-Liquid) Model
 Description: This model is effective for systems with strong hydrogen
bonding and non-ideal behavior, often used for polar mixtures.
 Implementation:
 Select NRTL from the property method options.
 Ensure you have the necessary binary interaction parameters,
which may need to be specified if not in the database.
 2. UNIQUAC (Universal Quasichemical) Model
 Description: UNIQUAC is suitable for a wide range of liquid mixtures and
is particularly effective for non-polar and polar mixtures.
 Implementation:
 Select UNIQUAC in the property method.
 Similar to NRTL, you may need to provide binary interaction
parameters.
3. Wilson Model
 Description: This model is useful for systems where strong non-ideality is
present and is often used for liquid-liquid equilibria.
 Implementation:
 Choose Wilson as the property method.
 Input any required binary interaction parameters.
4. Margules Model
 Description: This is a simpler model that is primarily used for slightly non-
ideal mixtures. It is best suited for binary systems.
 Implementation:
 Select Margules in the property method.
 Provide the necessary interaction parameters.
5. Raoult's Law (Ideal Solution)
 Description: Raoult's Law assumes ideal behavior where the vapor pressure
of each component is proportional to its mole fraction in the liquid phase.
  Implementation:
 This is selected automatically if you choose "Ideal" as your
property method.
 No additional parameters are needed.
How to Set Up in Aspen Plus
Step-by-Step Process:
1. Open Aspen Plus: Start a new project.
2. Define Components: Go to Components > Add/Remove Components to
select the components of your mixture.
3. Choose Property Method:
 Navigate to the Properties tab.
 Go to Property Method and select the desired activity
coefficient model (e.g., NRTL, UNIQUAC, etc.).
4. Set Up Simulation:
 Create a new block (e.g., Flash) in the Flowsheet.
 Specify feed conditions (composition, temperature, pressure).
5. Configure Parameters:
 For models like NRTL, UNIQUAC, and Wilson, check if you need to
provide binary interaction parameters. You can often find these in literature
or databases.
6. Run the Simulation: Click the Run button and check for errors in the
message window.
7. Analyze Results: Double-click on the block to view VLE data and other
results.
8. Repeat for Other Models: Change the property method to another activity
coefficient model and repeat the simulation process.

Tips for Using Activity Coefficient Models

 Choose the Right Model: Based on the nature of your mixture (polar vs.
non-polar, strong interactions, etc.).
 Check Literature: For interaction parameters, refer to literature or
databases if they're not available in Aspen's default.
 Validate Results: Compare your simulation results with experimental data
when possible to ensure accuracy.
By experimenting with these models, you can better understand the
behavior of your specific mixtures under varying conditions.