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CHE212- PROCESS ENGINEERING AND ANALYSIS. Em Computer Lab #5 The aim of this lab isto introduce you to Aspen HYSYS. It covers a typical work flow for creating a ‘new process simulation using ethylchloride production as an example. Question 1. Building a process stimulation (2 mark) Ethylchloride (CHsCH,Cl) can be manufactured by an exothermic, gas-phase reaction of hydrogen chloride (HCl) with ethylene (CH,=CH) over a copper chloride catalyst: GHe + HCI GHC (rt) Further information is provided in the simplified Process Flow Diagram (PFD) below. Tl w 1kemol/h ss Am 20% CHL, ive Conver slat 25°C st s2 Distillation FEED a Column, 100 kgmolh au 23°C Dal 50% HCL 48% C,H, > mol% CATALYTIC PRODUCT 200N, ReaeroR 1 Amn” pore b AP=0 2c we STEP 1: Selecting the chemical species 1._ Start Aspen HYSYS from Windows. Select “File — New — Case” OR click on “New” 3. Press “Add” to add chemical components to the case. This opens up the Simulation Basis Manager. You need to add all the species that will appear in your flowsheet. 4, Add the following components: hydrogen chloride (HCl), ethylene (CzHe), ethyl chloride (CHsCl) and nitrogen (N2). Experiment with the different search options (“sim Name", “Full Name / Synonym’, “Formula”) to see which options work best for you. Note thot ethylchloride appears as CIC2 in HYSYS. 5. Highlight one of the “Selected Components” and double click on it. Scroll through the different tabs ("ID’, “Critical, ..) containing the component's properties. Hit the “Fi” key to bring up context sensitive Help on the window in question. Close the species information window, 6. Close the “Component List View" window. Note thot the selected components won't be forgotten. 7. Save your simulation with a descriptive name. HYSYS simulation files have the extension hse. STEP 2: Defining the thermodynamic calcul 1p methods 1. Go to the “Fluid Pkgs” tab and select “Add”. Select “Peng-Robinson”. But, how can you decide what is a suitable property package? In-Class-5 new.docx Page 1 of 5 CHE212- PROCESS ENGINEERING AND ANALYSIS. Em 3, Goto the Home tab, and then click on “Methods Assistant” 4, Read the text and click next to begin 5. Select the following options “Specify component type” then “Hydrocarbon system” then “No”. Scroll down and click on “Property Package Descriptions”. Read briefly through the Help information to understand what property packages are, and then click on “Peng Robinson’. Briefly read through that information, and click on “Peng-Robinson Calculation Methods’ to see the equations used. This should show you how to get helo on choosing a property package suitable for your application. Close the Help window. 6, Close the “Fluid Package” window and go back to the “Simulation Basis Manager” STEP 3: Defining the reactions 1. Goto the menu on the lft sie of the screen, and then select “Reactions” tab and press “ad” 2. Now select “Add Reaction’, select “Conversion”, and then “Add Reaction” again. This type is selected asthe only information we have on the performance ofthe reactor in the PFD is that the conversion of ethylene is 90% Sut, what s “conversion”? is @ reaction engineering term: the usual definition is the fraction or percentage of a particular reactant that is consumed in a reactor; that i, the fraction converted into reaction products. 3. Double click on “Rxn-1” Under “Stoichiometry info" add the reacting components: Ethylene, HCI, and CIC2. You don’t need to add nitrogen s tis inert inthis reaction Under “Stoich Coett” enter ~1 for ethylene, ~1 for HCl, and 1 for CIC2. By convention stoichiometric coefficients are negative for reactants and positive for products. The reaction taking place is given by (R1) on the first page. 6. Goto the “Basis” tab and enter “Base component” as ethylene, and then enter 90 for “CO”. Note how the status bar in the window hos changed from I ¢o AL Close the "Conversion Reaction: Rxn-1" window. Click on “Add to FP", and then “Add Set to Fluid Package” 9. The idea behind these steps is that you (i) specify individual Reactions, (i) collect them into convenient Reaction Sets, and then (i) associate the Reaction Sets with a Fluid Package 20. Press “Simulation” from the menu on the left side ofthe screen. The simulation environment is where you'll draw the flowsheet and specify stream and unit input information. ‘The following steps add streams and units operations to the flowsheet, and specify their conditions. Note that there are usually several ways of achieving the same outcome. STEP 4: Adding and specifying the feed stream 1. Go to the Object Palette (as shown on the right), and add a Material Stream (blue arrow Icon}. Place it near the left of the flowsheet. A material streams corresponds to the flow of mass between units, e.g. via a pipe. The red arrow represents an Energy Stream, and is used to provide heating or cooling to units. 2. Note: You can use “Fa” to bring the Palette back up if it disappears. 3. Double click on the material stream you've placed on the flowsheet and enter the following information: Stream Name: FEED Temperature: 25°C Pressure: Latm Molar Flow: 100 kgmol/h Composition: Enter the mole fractions given in the PED. In-Class-5 new.docx Page 2 of 5 CHE212- PROCESS ENGINEERING AND ANALYSI Em 4. Note: Goto the worksheet onthe left side ofthe sreen and then select composition OR double click on the Molar Flow. 5. Note: (i) you can enter the pressure in atm, MPa, bar, psi, and other units, and HYSYS will convert it to kPa; (ii) there are many options for entering the composition, including mass fraction and molar or mass component flowrates; and (iii) the window’s status bar changes as you enter more information. 6, The status bar ofthe Material Stream: FEED” window should now read Il. and the colour of the stream arrow will have changed from «ys» to blue. STEP S: Adding the mixer forthe recycle steam 1. Hover the cursor over the Object Palette and see the range of unit operations that HYSYS supports. 2. Add a "Mixer" to the flowsheet and specify the following: Name: Ma Inlets: Rt and FEED. Outlet st 3. Note how HYSYS automatically creates streams R* and S1, and links the FEED stream to the mixer, Stream R* needs specification. We don’t know what it should be at the moment, so we'll just enter something temporarily. HYSYS will automatically recalculate it when solving the flowsheet. For R*, specify: Temperature: 25°C Pressure: atm Molar flow: Okgmol/h Mole fractions: 1 for HCI, ethylene and Nz, and 0 for ethylchloride, then press the “Normalize” button to make the mole fractions add up to one. STEP 6: Adding the reactor 1. Go to the Object Palette, then columns, and add a “Conversion Reactor” from to the flowsheet and specify the following: Inlet: st Vapour Outlet: 52 Liquid Outet: $3 Energy: DUTY The reaction is exothermic andthe reactor needs tbe cooled with an Energy Stream to maintain the desired outlet temperature of 25°C. 2. Now go othe “Reactions tb and specify the “Reaction Set” a5 “Set”. This mokes the ethylchlride reaction we defined earker avilable in CRV-100, 3. Look at the status bar in CRV-100, It should read UARFGWAIBUR). Aso look atthe flowsheet: you should see that streams S2 and $3 are cyan, and CRV-100 is outlined in yellow. These indicate that there isnot yet enough formation to calculate the conditions inthe reactor and its outlet streams; that is, there are still too many degrees of freedom. If we knew what the cooling duty should be (e.g. in kW) we could enter that information by clicking on the R- DUTY energy stream, but in fact we know that the reactor outlet should be at 25°C. 4, Goto the Worksheet” tab and enter a Temperature of 25°C forthe vapour steam S2 In-Class-5 new.docx Page 3 of 5 CHE212- PROCESS ENGINEERING AND ANALYSIS. Em 5. The CRVE100 statusbar should change to il CRV-100 should ose its yellow outline, and $2 and $3 should now be blue. HYSYS has immeciotely performed the reactor mass and energy balances. This automatic calculation can be switched on and off using the green (Solver Active) and red (Solver Holding) traffic light buttons on the Toolbar. 6. Find the following information (it will be needed for the submission): Molar Flowrate of $2 in kgmol/h See CRV-100 "Warksheet”, under Mole fractions of HCl, CsHs, Nz and CaHsClin$2 “Conditions” and “Composition” Heat Flow of R-DUTY in ki/h Double click on R-DUTY stream 7. Add a note about the simulation by opening the "Notes Manager” using “CTRL-g”. Type in notes to report the information requested in the step above. You can use “CTRL-g” to bring the Notes Manager back up ifit disappears. 8 Challenge question (not for submission): Perform a short manual calculation to verify that the reactor has achieved 90% conversion of ethylene. STEP 7: Adding the distillation column 1. In this flowsheet the distillation column will be modelled using an ideal component splitter that is under columns, rather than a more realistic distillation column model. Using the Object Palette, place a “Component Splitter” on the flowsheet and specify the following Under Connections: Name: Da Inlets s2 Overhead Outlet: $4 Bottoms Outlet: PRODUCT Energy Streams b-puTy Under Parameters Temperature for $4 and PRODUCT: 25°C Pressure of $4 and PRODUCT: Select “Use Lowest Feed Pressure for all Products” option Under Splits (for stream S4): Hel 1 This means that all the HCL, ethylene and N; will go Ethylene: 1 In the overhead stream, while all the ethylchloride ica: ° will go to the bottoms. Nitrogen: 1 2. The column should now be fully defined. Close the D-1 window. STEP 8: Adding the stream splitter 1. Adda “Tee” from the Object Palette that takes stream $4 as the inlet, and splits it into streams W and R. Name it T-1 2. Using the “Worksheet” tab, enter a Molar Flow of 10 kgmol/h for stream W. 3. Challenge question (not for submission): What is stream W typically called and what is its purpose? STEP 9: Closing the recycle loop 1. From the Object Palette, select a “Recycle” block and place it on the flowsheet. In-Class-5 new.docx Page 4 of 5 CHE212- PROCESS ENGINEERING AND ANALYSI Em 2. For RCY-1, Specify the Inlet as R, and the Outlet as R*. In doing this, we have selected stream R/R* to be the tear stream, 3. Notice that HYSYS immediately performs iterations to converge the mass and eneray balances in the flowsheet. Go to the “Worksheet” tab to view the quality of the convergence calculations by comparing “Conditions” and “Composition” values for R and R*. You will probably see that the quality of convergence is not very good, 4, To improve the consistency of the mass and energy balances, go to the “Parameters” tab, for “Variables”, make all the “Sensitivities” equal to 0.01. This means that the tolerances used to test convergence are a factor of 100 times smaller than HYSYS’s defaults. 5. Go back to the “Worksheet” tab and compare again the “Conditions” and “Composition” values for R and R*. This time they should be very close. 6. Finally, save your simulation again. Question 2. (0.5 mark) Based on your brief experience with HYSYS so far, what do you think are two of the main advantages of using HYSYS over Excel for performing process flow-sheet simulation? Add your reasons using the “Notes Manager” ("CTRL-g").” For submission, upload your simulation (hsc) file. In-Class-5 new.docx Page 5 of 5