Introduction to aspen environment.khairul anwar.141021
- 1. ASPEN PLUS V10 PROPERTIES ENVIRONMENT KHAIRUL ANWAR MOHAMAD SAID
- 2. INTRODUCTION TO ASPEN 1. ASPEN stand for Advanced System for Process ENgineering. 2. ASPEN or ASPEN Plus (newer version) is used to simulate an entire chemical processes from raw material to finish product. Example of simulation environment
- 3. SELECTING TEMPLATE There are many template for different processes For chemical engineering, we will use template chemical with metric units and specialty chemical with metric units Both differ in unit, flow basis and stream report Click create afterwards
- 4. ENVIRONMENT PANE Important item in navigation pane: Properties and simulation Properties pane to specify the component (chemical) and property model (reaction) Simulation pane to specify the process flowsheet i.e. unit operation and condition Safety analysis allow user to analyze overpressure scenario Energy analysis to explore potential improvement in the plant to reduce energy cost
- 5. QUICK ACCESS TOOLBAR Data source tab: To seek additional information from databanks Run mode tab: Analysis for component properties Estimation for unknown properties Regression for fitting model with Run tab: Next/Run to start simulation or carried out analysis Reset to purge all information Control panel to view calculation status
- 6. NAVIGATION PANE AND INPUTTING COMPONENT Navigation pane for properties environment. Notice the half-filled red/white circle at estimation It refer to “required input incomplete”, user need to specify condition. Example of symbols in Aspen Define your component here either by typing the Component ID column or use Find button
- 7. SELECTING DATABASES In navigation pane: Component>Specifications>Enterprise Database Select NISTV100 NIST-TRC from available databanks and add it to selected databanks We choose this database because it has the most comprehensive collection of data. NIST (national institute of standards and technology) TRC (thermodynamics research center) use NIST TDE (thermodata engine) and NIST-TRC for source data for evaluating the experimental data.
- 8. ENTERING COMPONENT Use Find button to find chemical. Example find acetone would deliver a lot of chemical that are associated You may select the correct chemical via molecular weight, boiling point and CAS number Click add selected compounds
- 9. SPECIFYING PROPERTY METHOD Navigation pane>methods>specifications>global Choose NRTL (non-random-two-liquid) as base method and method name Other model that worth knowing are UNIFAC (universal functional activity coefficient) and UNIQUAC ( universal quasichemical activity coefficient) NRTL, UNIFAC, UNIQUAC model would perform well for system with polar compound, low pressure (<10 bar) and nonideal liquid mixture Equation of state model for non polar compound and normally for modelling hydrocarbon system. Example PENG-ROB (Peng-Robinson) and RK-SOAVE (Redlich-
- 10. IMPROVING MODEL ACCURACY Input component in specification; acetone, 1-hexene and methyl-ethyl-ketone. Rename methyl- ethyl-ketone to MEK. Tick estimate using UNIFAC button Click next and run the property analysis. The pair between MEK and 1-Hexene was estimated based
- 11. IMPROVING PAIRWISE INTERACTION MEK AND 1-HEXENE USING NIST-TDE Unselect estimate using UNIFAC Click NIST-TDE in Data source ta Binary mixture MEK and 1-Hexen Retrieve data
- 12. CONTINUE AFTER RETRIEVING NIST DATA Refer to illustration for retrieved data of MEK and 1-Hexene interaction Click consistency test tab and run the test TDE result tab, choose Binary VLE 001 obtai from consistency test and save the data
- 13. DATA REGRESSION Choose regression and click new Calculation type evaluation and choose BVLE001 (data obtained from NIST) Click next and run DR-1
- 14. CLASSWORK 1.1 Let us demonstrate the concept of mixing rule via considering the density of a mixture made of benzene, toluene, and aniline, evaluated at room temperature (T = 25∘C) and 1 atm. Using “Specialty Chemicals with Metric Units” template, create an Aspen Plus file with the following components: benzene, toluene, and aniline. The default property method is “NRTL”. There will be no flowsheet at this stage. We will stay under “Properties” environment using analysis and estimation mode. There will be no need to use NIST/TDE experimental data; hence, the missing binary parameters (if any) will be estimated using UNIFAC (Select “Estimate parameters using UNIFAC” option under “NRTL-1” sheet for “Binary Interaction” folder and run the simulator). We will create two analysis tests: one for pure substances and another for a mixture. Carry out the following steps:
- 15. STEPS 1. Under “Properties” environment and “Analysis” mode, click on “Pure Analysis” button found in “Home” ribbon 2. Under “Pure Component” tab, select “Thermodynamic” as the “Property type” and “MASSRHO” as the subproperty. Select the “Phase” to be “Liquid”. Moreover, select “Temperature” to be 25∘C and select all the three components as shown in figure below for the pure property analysis.
- 16. CONT. 3. Click on “Next” button to run the test. Go to “Results” sheet below “PURE-1” folder. You will be able to see the estimated mass density for each pure component as shown in figure below 4. Under “Properties” environment and “Analysis” mode, click on “Mixture Analysis” button found in “Home” ribbon.
- 17. CONT. 5. Under “Mixture” tab, enter the required input data as shown in figure below for the mixture property analysis. Notice that the mass fraction is automatically calculated by Aspen Plus as you enter the mass flow rate for each component. Moreover, “TXPORT” property is selected, as it contains the density of a mixture. 6. Click on “Next” button to run the test. Go to “Results” sheet below “MIX-1” folder. You will be able to see the estimated mass density for the mixture with defined
- 18. ASPEN PLUS V10 SIMULATION ENVIRONMENT KHAIRUL ANWAR MOHAMAD SAID
- 19. PRE-SETUP PRIOR TO SIMULATION • BEFORE PLACING THE MIXER BLOCK, ENTER THREE COMPONENTS: WATER, ACETONE AND METHYL ISOBUTYL KETONE (MIBK). • THE GOAL OF THE SECTION WAS TO SEPARATE FEED STREAM INTO TWO STREAM THAT CONSIST OF 95% WATER AND ACETONE, RESPECTIVELY. • CONDUCT THE BINARY INTERACTION USING NRTL AND DON’T FORGET TO ESTIMATE MISSING PARAMETER BY UNIFAC.
- 20. PLACING BLOCK AND STREAM Place mixer from the model palette and connect the stream using material button Two stream would appear with red and blue color when you click material button. Connect the red stream with two feed and one output Rename the stream as follow:
- 21. INPUTTING STREAM CONDITION Double click the feed stream or click Next in run tab. A new tab would appear for inputting necessary stream information and click Next Key in the following information in those two feed streams. Pay attention to the mass flow of each component
- 22. RUNNING SIMULATION Click the Next button, would prompt the following. Press ok to start the simulation Go to result summary> streams (navigation pane) Check the mass flow and mass fraction. Make sure it similar to input feed stream and balance DON’T FORGET to SAVE your work after each simulation
- 23. RUNNING SIMULATION USING DIFFERENT PROPERTY METHOD Wilson UNIQUAC NRTL Going back to properties environment Methods>specifications Change method name to Wilson Check the binary interaction>Wilson-1 It will appear after you selecting method name Tick estimate using UNIFAC and Run Get back to simulation environment Click Reset and Run the simulation Click mixer block and check the balance. Repeat using other property method: NRTL and UNIQUAC You may get the following and notice the di DON’T FORGET to SAVE your work after each simulation
- 24. CLASSWORK 2.1 Problem: We have a 50/50 wt% mixture of water and n-hexanol. We plan to separate this mixture into its constituents and ultimately end up with almost pure streams of water and alcohol. • Add component (water, 1-hexanol and 1-octanol) in properties environment. Retrieve data from NIST-TDE and check the consistency result for all binary interaction. A good quality binary interaction should have quality close or equal to 1. • If the consistency test result fail, use NRTL property method and estimate the missing parameter. • Switch to simulation environment and place block and stream as follow
- 25. CLASSWORK 2.1: STREAM CONDITION • The total flow rate of “H2O+C6OH” stream is 100 kg/h at 25∘C and 2 atm. The flow rate of “C8OH” stream is also 100 kg/h of pure octanol at 25∘C and 2 atm. The mixer exists under the same conditions of pressure and temperature. • Check for simulation error in control panel. • Inspect your TRI-MIX stream properties in result summary>streams • Check for azeotrope using azeotrope analysis in home tab DON’T FORGET to SAVE your work after each simulation
- 26. AZEOTROPE SEARCH Select all Click report
- 27. CLASSWORK 2.2 (TRY IT YOURSELF) • We have a 50/50 wt% mixture of water and acetone. We plan to separate this mixture into its constituents and ultimately end up with almost pure streams of water and acetone. Block diagram as follow: The total flow rate of “H2O+ACET” stream is 100 kg/h at 25∘C and 1 atm. The flow rate of “EIPK” stream is also 100 kg/h of pure EIPK at 25∘C and 1 atm. The mixer exists under the same conditions of pressure and temperature. Three components: water, acetone, and ethyl-isopropyl-ketone (EIPK) Check NIST-TDE for binary interaction for water-acetone system Use NRTL property as base method Check for azeotrope after simulation DON’T FORGET to SAVE your work after each simulation