UniSim™ Design kilt) UniSim Design Tutorial for CHEE470 Queen’s University Department of Chemical Engineering 2006 726896205Introduction UniSim (formerly HYSYS) is a program that can be used to design chemical plants. It is built around: © allibrary of the physical properties of a large number of chemical species * a set of subroutines to estimate the behavior of many types of plant equipment (heat exchangers, reactors, etc.) © a graphical user interface to accept specifications for the case, and display results ‘The user describes the process in terms of pieces of equipment interconnected by process streams, and the program solves all the mass/energy/equilibrium equations, taking into consideration the specified design parameters for the units. Itis a very complex system, and there is no way that this tutorial is going to demonstrate all of the features. The features that will be shown are the ones that will prepare you to tackle the plant design assignment in CHEE470. Like most programs of this type, operations can be done in different ways. In general, this tutorial will only describe one way. You will find other methods in the UniSim documentation, but the ones shown here are best suited for people who are new to the program. Hints for Success in Modeling 1. Build the model one step at a time. People new to this instinctively want to start by adding many streams and unit operations, and then try to get the whole mess working. This is futile. Add the elements one at a time. Get one working before you go on to the next one. 2. Save a whole series of backups, not just the latest working version, Disk space is cheap. If you get into trouble, you may find that it is difficult to restore the model to its previous state. Often you are better to retrieve a previous version and update it 3. Put meaningful names on all streams and units. Debugging is difficult when you are trying to remember if stream $22 is the distillate or the bottoms in a distillation column. 4. Ifa piece of equipment does not work although the parameters all look reasonable, try deleting the unit and reconstructing it. Steps in Developing a Model of a Chemical Process 1. Select the units that you want to work with. Do you want kilograms and °C, or pounds and °F?-3- 2. Select the thermodynamic methods that will be used for predicting physical properties. The decision should be based on the type of chemical species involved. 3. Specify the chemical species that will be present in the process. At this stage you may be given some advice about the ability of the selected thermodynamic method to handle these chemicals. 4. Ifthe process involves reactions, provide information such as stoichiometry and kinetic constants. Build the model by adding streams and equipment one at a time. If the process contains recycle loops, deal with closing them. Use the UniSim utilities to get additional information such as the mechanical design of distillation column trays. 8. Print a report describing the results of the simulation, nae The Methanol Process ‘Methanol can be made from hydrogen plus carbon monoxide and/or carbon dioxide. 2m+C CH30H, 3 Hy + CO) —> CH30H + hhO Recent studies suggest that the first reaction actually proceeds as CO + H:0 => Hp + CO> (the water gas shift reaction) followed by the second reaction. For this exercise we will work with the simplest version — the second reaction only. By the way, running this reaction backwards provides a method of operating a hydrogen fuel cell with methanol as a feed The following diagram shows the process we will work on. It is important to recognize that this is not suggested as a good way to make methanol. The design has been formulated to demonstrate many key aspects of UniSim, without getting overwhelmed by detail-4- A mixture of H and COp is heated to the required temperature and fed to a stirred reactor. As noted above, the reaction is 3 H + CO: > CH2OH + HO. ‘The product of the reaction is partially condensed. The vapour (mostly Hz and CO) is compressed and recycled back to the beginning of the process. The liquid (mostly (CH,OH and HO) is fed to a distillation column, ‘The column produces a product stream (mostly methanol) and a waste stream (mostly water). The product is cooled to a temperature that is reasonable for storage. A pump is, required provide cooling water for this heat exchanger. Setting up Data for the Model Open UniSim. ek Ose 1 Click on the new file icon and get: Ee Ei Ges Tok Woon osm alae Congres its Yew. bas | ioe] treat eral ste Components [Fi Hs is J_ow 1 J Reactions rent Me UserPi c I ad Units ‘We will use the default ST units, so no action is required. In future cases you may want to use different units. See section 3.2.2 of “UniSim Design Tutorials and Applications pdf”‘Thermodynamics Click on the “"Fluid Pkgs” tab. Canert Phat Peckapee Fowchet: adh Assciient i Fosse [Find Pig To Use ie co Deaut id Pig = nat. ——-tuisPiateriow subFbwsh # G Ure Deiat ud Pig © Use Paset Fud Pkg “Lemosnerts Fd Phas [Hytetcal | DaManager J Reacts renters | UePepety I [ar “Fluid Package” is UniSim’s terminology for a collection of data that includes all the ‘thermodynamic, component, and reaction parameters required to run the model. Its possible to have more than one package in a model. For example, it would be possible to use one thermodynamics model in the reactor, and another in the distillation column. We will just have one package. Click on “Add” and scroll to find “SRK”. This selects the Soave-Redlich-Kwong method, 2 popular equation of state model.Equaonct Site = ees F Use EDS Deny Mody H2 Te and Pe IF Srecth Lind Denaly Aeon Themosynanies F Unie Thano 5 en L I [ate Note that the default name “Basis-1” is given to the package, and our components will go into “Component List-1”. ‘Components Close the fluid package window and click on the “Components” tab of the “Sinmulation Basis Manager”.[ I [are ‘Add Component $0 Comores Campers Alan the Coveney TE LlsayCopcrrt = on ay Caren Mae MeFi Fp Carper © Sinbane 7 Flame /Syenm © Fara (the Conese ‘union | | EGRTEEE Orta 120cHe1 2324 teahoe IDUIMets Cptfmare 1234 Terma CID Irena raat deaiéeb} OSH208 sett, . . Fete one eae af Now click on “Add Pure”, and do the same operation with “Hydrogen”. Let’s do methanol differently. Select the “Formula” option instead of “Full Name / Synonym” and enter “CH40">Be er Th abe ep ose sia aa Sa iehvldienbeConeretinay doa och [6 —— Monten. CC RaNene (Sim © Far atin ak oe wet a ond Son 40 seit a Horyaaemetane fo i so ‘ee ie e a L I [anv Do the same with “H20”. Be it fais Tele ho oh ose sia mae Saeed even Corer ay indo Meer Ven ier Wena © Sine © FalNane Siem Fala : He} ‘Hagen Pace ha bss) o> . Fy th te roe f | sate coneurerl ected nthe et te congerertet [ary ‘We now have all the components we need.-9- This would be a good time to save the case. Close the compo: the “Enter Simulation Environment” button of the “Simulation Basis Manager” window. Do the usual “File=>Save” operation and call the file tutor01. Reactions nents window and click on ‘Now we need to return to the Simulation Basis Environment. Click on the beaker. Ele Edt Simulation Flowsheet FD Tools window Help Osa|feaa le Eo| + ele HAP HR OAS & ® ® [Detaut Colour Scheme icompleved.- 10 - In the “Simulation Basis Manager” window, select the “Reactions” tab. Now, click on “Add Rxn”, When the “Reactions” window appears, select “Kinetic” and click on the “Add Reaction” Button. Equlxun Simple Rate ‘Add Reection A Kinetic” reaction is one for which we will supply the kinetic constants that define the rate of reaction. This allows us to size the reactor. If we were only interested in simuating the heat and mass balances, we could use the simpler form, a “Conversion” reaction. ‘Then we would only have to define the percent conversion. Click on “**Add Comp™ and select the components as shown.“ue The significance of the numbers should be obvious from the definition of the reaction: 3 Hz + CO, => CH20H + H20. Note that “Rxn-1” has been replaced by a more meaningful name “Methanol Reaction”. ‘Now look at the “Basis” tab.-R- Max Temperature Basis Unts | Komole/m3 = Rate Units [krnole/n3-s zi ~"Stochionety Basie Delete Name [Methanol Reacton =A Basis = Molar Concn means that the reaction rate equation uses concentrations of the reactants in moles/m! Base Component = CO2 means that the reaction rate equation describes the rate of consumption of CO2, not consumption of H2 or production of Methanol (since CO2 consumption = methanol production, methanol could be specified here). Rxn Phase ~ LiquidPhase means that the reaction takes place in the liquid. Since we will not have any liquid in the reactor, this is not helpful. Change it to “VapourPhase” Finally, change “Rate Units” from “kgmole/m3-s” to “kgmole.m3-h”, Since everything else in the modie is in units of hours, itis best to be consistent. ‘The important consideration is to ensure that the treatment here is compatible with what ‘was used in generating the constants describing the reaction rate (probably from lab data).7B B TONE, = eGo KBs) _ 70006005, | ke At em E/AT) TS = Ke Asem (EVAT ITS j Reyerse Reaction T inKelvin ‘These are the kinetic constants for an Arrhenius equation: k — A eP 8D Note that the bar in the lower right has turned green and says “Ready”. This means that all the necessary data have been supplied, and are valid (that does not necessarily mean correct), Close the window and return to the Simulation Basis Manager. Note that “Methanol Reaction” has been added to the list of reactions.-i4- le ER aie Tock Wrebw ep osm alae [ L ar UniSim has put together data for a set of reactions for us called “Global Rxn Set”. It only contains one reaction, “Methanol Reaction”, but we could add others (e.g. side reactions that produced small quantities of ethanol and acetone). If our model contained an unrelated group of reactions (e.g. if we put a water gas shift reactor on the front of the process) we could create anotiner Reaction Set. In this way we could model different reactors using different reactions. To see what is in our Reaction Set, click on “View Set”,71S - ( | New Ede wind enin [ar This does not tell us anything that we do not already know, but it confirms that our reaction is really there. ‘The next step is very important, and it is easy to forget to do it. If you find yourself unable to model a reactor because the reactions yon need do not exist, it is probably because you forgot this step. At this point UniSim has put “Methanol Reaction” in “Global Rxn Set”, but it has not put “Global Rxn Set” in “Basis-1”, When building the reactor it will look in “Basis-1” for the reaction data. Back in “Simulation Basis Manager” click on “Add to FP”.- 16 - ‘Add Set to Fhid Package ‘Now click on “Add Set to Fluid Package”. | se [Ramses [tee J a - =n [ J jar Note that “Basis-1” is now listed in “Assoc. Fluid Pkgs”. ‘We have now finished the job of supplying the data for physical properties, components, and reactions, Note that we have left the names “Global Rxn Set”, “Component List- Tand “Basis-1” with their default values. If we had more than one basis, component list, or reaction set, we would have been wise to change the names to something more meaningful, just like we changed “Rxa-1” to “Methanol Reaction”. But if there is only-17- one of each, we are not going to get confused about which one we are dealing with in the model, and this is unnecessary. To proceed with building the process model, click on “Return to Simulation Environment”. Building the Process Flow Diagram Always save the case at this point in the development. In this way, regardless of how screwed up the model gets, you can always go back to a valid case Do a “Save” followed by “Save As tutor03” File Edit Simulation Flowsheet PFD Tools Window Help Ose Coa = * [ele HAP He OAS @ B® @ [Deied Gao Schone >] Iconpievea. A fl | Steady State Made aly ‘We now have a blank screen on which we can start to build a PED (Process Flow Diagram) that will define the process. Feed Section+18 - = While we are working on the PFD we will require the use of the unit Be By | cherstions palete as shown on the left. If is not present, do “Flowsheet=>Palette” te Material Stream 12> JBL ay | Te Sst thing we want todo is rete he fed to the sytem, Double click on the blue material stream icon to bring up an empty stream i | vine. Be “3 Wotahect _ [Bemilaw 7 [Vepous / Phase Fastion emt >-+E Condos [Fenpante[] ere son [Pressure Pa] 8 # eames ol lw fone] “emo 8 al Mass Flow [kg] a ® User Variables || Std ideal Lia Vol Flow [nih] Notes: Molar Enthalpy [kd “kgmole] gr Cost Parameters | ole Ertopy[kgnoleC) Heat Flow [kJ /h] empty Lig Vol Flow @Std Cond [m3/h} empty Le FhidPockoge Baa +8 eo Note that this is reminding us that the properties are being estimated AE with the Basis-1 package. Enter the following data: Stream Name = Feed Temperature = 40°C Pressure = 4000 kPa Mass Flow = 1000 kg/h+19 - Steam Name \Vepout/ Phase Fraction Pontes [Perea Conposiion Frese K Value Mass Flow User Variables [Std ideal Lig Vol Flow (mh) Notes Molar Enthaoy [komo] Cost Parameters Mole Entropy [kl/kgmoleC] Heat Flow (kh) Lig Vol Faw @Std Cond 7h) Fad Peckoge (worksheet [Attachments J Dynanice J To finish the stream definition, we need to specify the composition. Click on “Composition” at the left side of the window. Condions Propeties Composition KVaie User Variables Notes Cost Parameters ‘We want to specify a stoichiometric ratio, so mole fraction is the correct units.+ 20 - ‘Composton Basis @ Mole Fractions 7 Moss Fractions © LigVehume Fractions Mole Flows: 7 Mass Flows: © LigVolume Flows Compostion Controls+21 - Note that the stream is now fully defined, and UniSim has calculated the variables that you did not specify. From now on we will only be able to change the blue values, not the black ones, ‘You may have notices that there were two stream icons on the palette. => => The first (blue) is a material stream going from one piece of equipment to another. The second (red) is an energy stream. These will be handled by UniSim. The energy used or generated by equipment will be displayed in these streams. This information will be useful in costing the utilities (steam, electricity etc.) used by the process. Now let us add a mixer to combine the feed with the recycle stream. In most cases, but not all, a mixer is not a piece of equipment — just two pipes coming together. Double click on the mixer icon > in the palette WER Design None [cig Connections Parameters User Variables Notes Idts Outet Steam x Fhid Package fpeist =] Design [Rating J Warkshect J Dynami For “Name”, specify “Recycle Mixer”. Then click on “<>” in the “Inlets” list. ‘You will be presented with a list of acceptable streams.-22- Design Name [Recycle Mixer Connections Parameters User Vaibos Notes Its ute ai =I [feed Feed Fhid Package | | Design | Rating J Worksheet J Dynamics Cee: | Ts [ Loroved Select the only item in the list: “Feed”. Now we want a second input stream, so enter “Recycle” in the line below “Feed” Next, click on Vin the “Outlet” box, and you will see that there are no candidate streams. So enter the name “Mixed”. } Recycle Mixer Name [Recycle Maer Design Design Delete | Wetsched TT donoved+23 Why is it “Not Solved"? Because we have not described the other input stream “Recycle”. To do this, go to the “Worksheet” tab because it will allow access to all the streams connected to the mixer. Temperature [C] Pressure [kPa] 4000 empty? Moles Flow fkomeole?h) 7331 empty? Mass Flow tka/h 1000 empty? Std ideal Liq Vol Flow {3/h] 275 empty? Moles Eihaloy fl /komole) 9 806¢+004 empty? Moles Erirapp[kd/kgmole-C] n07, empty Heat Flow fkl/h] 7.8366+006 empty? Design J Rating Worksheet | Dynamics At this point we need an estimate of the recycle stream. How this is arrived at will be different for every process, but usually requires knowing what the conversion per pass in the reactor will be. For this exercise, use the following values. © Temperature & pressure = same as stream “Feed” ‘© Molar Flow ~ 200 kgmole/h Next, go to the “Composition” window and enter the following values.24 - Now UniSim has sufficient data to do the necessary calculations. Let us look at the main screen. HAE HH OA? @@ @ [alan Caar Schone >] =. ee _ = Wined Recycle Recycle Miser Since all of the streams are dark blue, UniSim is happy.+25 - The next step is to heat the mixed stream up to reactor temperature. In the palette, double click on the heater icon. ‘ awe ET Enews Note that the Basis-1 properties package will be used here. If another one was available we could select it. Enter the following data: © Name ~“Feed Heater” Inlet = “Mixed” (from dropdown list) Energy = “Heater duty” Outlet = “To Reactor” (a new stream)+ 26 - Feed Heater —Jcle3) Design Name [Feed Hester Connections Parameters Inet Ener User Vaiables [Mined = [Heater Day =) Notes (S) Outlet Fluid Package. [Baer i Design [Rating J Worksheet J Pelxmance J Dynanics Delete | tiki De T tgnored Next, go to the “Parameters” window and enter a value for the pressure drop across the heater. 50 kPa is a reasonable number. ‘An alternative would be to leave this empty and specify the pressure of the output stream in the next step. But it makes more sense to specify the pressure drop rather than the ‘output pressure. Consider what would happen if the upstream pressure changed. Do not enter a value for duty. In a moment we are going to specify the output, temperature, and it is not possible to specify both. Of course, there are situations in which ‘we might want to define duty rather than temperature, but this is not one of them. If you have used other process simulators such as PRO/II you will remember that the ‘output temperature specification is treated as a parameter of the heat exchanger rather than the output stream. You will need to reorient your thinking.-27- [Mass Flow [kg/h] PF Specs Std deal Liq Vol Flow ih] [Molar Erthatpy [kd /komole] Molar Entopy [kl /kgrale Heat Flow 1¢h) Design [Rating Worksheet [ Perlamance J Omanice Delete | Uk Diy Ignored Now everything can be calculated.+ 28 - | Std Ideal Lig Vol Flow [m3/h] [Mole Enthaby gre) Molex Entiony [kl /komote-C] Hest Few lh) HAS He OAR & B ® [DetakCoouScheme ~] Before proceeding to tackle the reactor, it would be good idea to save the case again. Do “Save” followed by “Save As tutor04”. Reaction Section+29 - ‘We will model the reactor as a stirred vessel with sufficient cooling to maintain the output temperature at the same value as the input. On the palette, double click on the CSTR icon, B. esTR-100 Design Name [OSTRA00 Connections Perametess Inte ‘Vepour Dutlet User Vaviables (orem) vl) Notes —____—_>| «- Energy (Optional) Licuid Outlot I B| sr I FhidPackage [BassT vd Design [ Reactions | Rating J Worksheet J Dynaice Delete Ionered Fill in the data, using the same techniques that were used in previous units. Although we will not have any liquid leaving the reactor, UnSim requires a liquid stream just in case some is generated. The flow rate will be set to zero.-30- actor Design fs Connections Parameters Inets Yapou Outet User Vaiables ToReacior From Reactor noe |e Steem>3 | ——~| Eneay(Opional FRescterCocing FhidBackae Design [ Reactions [Rating J Worksheet J Oymanics J | F Iorored ‘Note the message about the need for reaction data. Go to the “Reactions” tab and select the reaction set from the dropdown list (only one option exists). Reactions Reaction Information [Detals «S«*S«*iRaction Set [GIRBAIAS@R—~] Reaction [ Nethanal Rescion > Resuts Specifics © Stoichiometry —<~ Basie View Reaction. Stoichiomety 7 Moe w Sieh Coot coz ‘4a070 “1.000 c 2016 3.000 Methanol 32012 1.000 H20 | 18015 1000. Add Como™ Balance Err ‘a0000 Reacion Heat (25°C) | <4 Sev08ki/kgmole Daspi Resction [Rang [ Wolshest [Owais eee | ee 1 nocd Now we need to specify the size of the reactor. At this stage we do not know how big the reactor should be. The best thing to do is set the dimensions unreasonably large. This will31. drive the reaction close to the equilibrium point, and provide a stable environment wien ‘we come to deal with the recycle. Go to the “Rating” tab, and enter numbers like tte following. Delete [frown Duty gored ‘We also have the ability to specify a pressure drop across the reactor. That is done in the “Parameters” section of the “Design” tab.Now it is complaining that it does not have enough data to calculate duty (the cooling rate), We have two choices: * Specify a cooling rate in ki/h (the “Duty” field in the window shown above) * Specify the outlet temperature (we will do this in the “Worksheet” tab) “E Reactor - Global Rin Set Joes = ane TeFieactr eee ee 4.9000 Conditions | |TempersreC]_—— | ed Propetios Pressure kPa) Es - ola Flow fkrele/h] 2733 | Ce Mass Flow kg/h] 223 | PF Specs ‘Std Ideal Liq Vol Flow [m3/h] 9.086 | Mole: Enithalpy fl/kgmole] rene naea Molar Entropy [kJ cgmole-C] 7 Heat Flow [l/h] “A207- 33 - Now it is happy. If you want to see what is happening in the reactor, look at the “Composition” section. The output has more methanol and less CO: & Ho than the feed. [ ToRiescto, {-Ounmp Ud | Fron Factor | oz reap torr Ot Hyon | 01es 07853 Mather ono osni2 aris #20 ‘0000 oer ———00ris asin J Reactions [Rating Worksheet | Oyanice Delete F lowed Recycle System ‘The next step is to condense the methanol and water, and return the gases as recycle. First, we need a cooler to condense the liquid by cooling it to 40°C. We will do this in the same way that we defined the feed heater, but will select a cooler 3 s instead of a heater from the palette, Assume a pressure drop of 50 kPa.34 Nome [Froduct Cool Enetay [Prod Cooker Duty735 - [Std Idea Liq Vol Flow [m3/h]_ [et nthe Bee) [Molar Entropy [hi Akgmole-C] [Heat Flow [kil/h] Note that the output, “Condensed Mixture”, is two phase. We need a separator to isolate a = Nowe [Sense Connecting | Wet Connections | F Condensed Miaur << Steam >> the two phases. Select a “Separator” shown, from the palette and attach the streams as eet | orcs- 36 - ‘Note that this is all that UniSim wants from us. But we have made an unconscious decision to accept a default. Look in the “parameters” section. parator ret ‘.o0007 [vapour outet Pa} | 0.0000 This is telling us that both outputs are at the same pressure as the input. There are other parameters we could specify, but they are not necessary for our ease. Before we recycle the vapour, we need to split off-a small purge stream to prevent buildup of noncondensible gases in the loop. In the palette, the device we need is a “Tee”. EE Give it the following parameters.-37- This may look like itis putting nothing into the purge stream, The problem is too few digits in the display. Look in the “Worksheet” tab,38 - as Std Ideal Liq Vl Flow ri] 6623 6.6286004 5623 Molar Erthapy th -kgroe) ~A2DAeWOO4 | -A204ev004 | —-4204er004 Moat Entopy [hi AkgroleC] 1028 1026 1026 Heat Flow [7h] 88616006 8861 | 685064006 Design J Rating Worksheet [ Dynamics Dee | A lonored This would be a good point to see what the process looks like. It should look something like this. Corll If the equipment has got pushed around on the sereen do a “PFD=>Auto Position All” operation and the units will be arranged in a logical order. The stream “Recycled” is at a lower pressure than the feed, so we need a compressor B to get it back to the mixer.+ 39- Desion Hone [Req Conmenor Connections | et oa = Fad Package ke eases 5 User Vata Notes Era [Re CanePovet = coma Fforecele G Design [Rating J Worksheet J Pevtomance J Dynamics J Ce 2, In the “Parameters” section, accept the default efficiency of 75%. [Feta 2) Elioepey (Adabaice [Poyronc Eticiency Tero Parameters Links User Variables Notes j-—— Curve input Opbon petting Mode G Siege Cave Multiple MW Cuves Certitugal C Rlecerocaing —~ Mule IGV Curves Then, set the output pressure in the “Worksheet” tab,- 40 - [SE ERG TSP LISI) Worksheet | ane Feaes Tega ent 3 out cere Conditions |e 41004506 corey Con Nelo A a0? San aa ceri? Mast Faw ih 135 1205 cen PrSpace Liao ceo) 66a) conebs Nols Ena ona AEewiOk ATE cengys Maks Ere haroleC) W025 keen Hea Fon fa “Sienl06 —-BPievOG | aaiewO4 Dea [Rang Worksheet | Paomance J Ommamis J Del Fon lores We are about to close the recycle loop. In doing this, itis not uncommon to end up with an unworkable model. Always save the case before closing the loop. Do a “File Save” and “File Save As tutor05”. Set up a “Recycle” unit from the palette @ and specify the two connections. Name Inet FuidBockape i= ae Deke Contin ecg Asstant P booed ‘The PFD should now look something like this:-4l- Before we finish with the reaction section there is one more job to do, Earlier we had set aside the question of how big the reactor should be and just set it very big. For all practical purposes the stream leaving the reactor is at the equilibrium concentration. ‘There is a tradeoff here between reactor size and the size of the rest of the equipment in the recycle loop. If we reduce the size of the reactor, the conversion per pass will fall. This will require a higher recycle rate, leading to larger heat exchangers compressor separator etc. Somewhere there will be an minimum equipment cost (operating costs will also be an issue) For this exercise we will say that previous designs have shown the optimum is about 90% of the equilibrium conversion, and the height of the reactor should be twice the diameter. Look at the “Results” section of the “Reactions” tab. Ambien coz 1375-42- Vary the reactor size and see what happens to the conversion. This eacter has aboot —"Devian J Reactions Rating I Diameter Height Conversion 1 2 42.65 29 18 Asa 89 178 41.40 We will end up with something like this.743 IF Thisreactorhas a boot Cee | LT orcs Do a “File Save” and “File Save As tutor06”.Product Separation Section All of the equipment simulations we have done so far have been ones in which any reasonable set of parameters would lead to a calculation that works. For example, as long as we did not do anything ridiculous like specify a temperature of -500C, we would get a valid heat exchanger design. The answer might not be what we wanted, but we would get an answer. With a distillation column we might not even get an answer. You may recall from earlier courses in distillation that some separations are only possible with a number of equilibrium stages above a certain value, or a reflux ratio above a certain value, Some configurations just do not work. In most cases we want to design a column to meet certain concentration specifications. In cour case they are: ‘* 97% of the methanol entering the column leaves in the product, * The methanol product contains 1% (by mass) water There are two specifications because a simple column with two products and feed, pressure, number of stages, location of feed tray specified has two degrees of freedom. In some cases we could go directly to 2 model with these specs. In general, itis safer to start by creating a case that works (even though it is not what we want) and then migrate to the case we want. The configuration most likely to work is specifying: ‘© The flow from either the top or the bottom of the column © The reflux ratio We will do it this way. With UniSim you must have certain information lined up before you start putting the column together. You will be taken throngh a series of windows that you must complete. ‘You cannot break out and come back later. We will need the following information Name of feed stream (“Liquid”) Number of stages (this separation is easy so try 10) Location of feed (we have nothing to base this on so put it in the middle ~ stage 5) Pressure in the condenser (use 1000 kPa) Pressure in the reboiler (use 1015 kPa) Will we take the product off as a liquid or vapour (vapour, do you think it would be a good idea to attempt to condense hydrogen?) ‘A starting value for reflux ratio (3 is suggested) A starting value for the distillate rate (19.729 kgmoles/hr - see the chart below)rs) Worksheet ee (oe Conditions Hydrogen 157582002 Properties Methanel 18257 | Composition | H20 18265 K Value User Variables Notes Cost Parameters le! io} Tos [BIH KonoIeT Es Edt Propeties. Worksheet [ Attachments J Dynarios Define from Other Steam. e° Double clicking on the “Distillation Column” icon & on the palette will bring up this: Cohan Name [700 © Patel Ovbd Outlets © Fults] | T iam Faas See [ism ovis eed —— a ree 4 << Streaen >> nei ro en ‘Stage Numbenng = ESS ee : Connections (pape 1 of 4) Cancel- 46 - Enter the following data: Distillation Column Input Expert Condenset Energy Steam [Condenser Duly >] CCokann Neme [Distltion ‘et Shear Options Side Draws — — » [Sean [Type] Draw Stage, [<< Seam>> Feboler Energy Steam Fetal Ou =] peace Lipid ut Stage Numbering @ TepDown — BettomUp ie Next> Connections (page 1 of 4) Cancel ‘We want to take all of the top product as a vapour. A partial condenser allows both liquid and vapour. We have specified two streams, but will set the flow of “Dummy” to zero at a later step. Note that the addition of this third output stream increases the degrees of freedom by 1 At the same time a constraint (flow = 0) is added and the net effect is that we still need to provide two specifications. Another way of looking at it is that a stream with zero flow does not really exist. Next, specify the pressure profile747 - Sabistitation Column Input Expert + Condenser Pressure jae Condenser Pressure Diep foouoorre ] Presa Prepon 204) Cnc 2 Distillation Cotumn Input Expert Optional Condenser Temperature Estimate Cc) ptional Lop Stage Temperate Estimate a Optional Estimates (page 3 of 4) Cancel In case with complex vapour-liquid equilibrium relationships, estimating the temperature profile can help the program to converge on the right answer. Our case does not require this.48 - ‘Se Distitlation Column Input Expert a Yaoou Rate [187290 Laud Rate [D000000—— Pe Reflux Ratio a Flow Basis [Moly +] > | << Component >> “Recovery” means the fraction of the component in the feed that goes to the specified stream.Si Now do the methanol concentration in water spec. (Saas oe) Column Specification Types Column Cold Properties Spec a. Column Ci Flow Colann Component Ratio Calan Conpoert Recovey Colin Cut Pont Pee Cae ae ee Waker COL Column OT (Heater/Coale!) Sper © aad Cournn DIgpse Baus Mass Fraction Column Duty: [SpecVawe ___[ __—1.000e-002| Eelam Feed ao eed Ratio Column Gap Cut Point aE aaeeE Column Liquid Flow | “-<> 1 Colin Physical Piopeties Spec Conn Pup Around Eekin bol Rao Ses TagetType «Steam Stage Colin fix Feed Ratio Spec Column Fetus Faction S Parameter ars tone eee ee Conon? [I Ort F Dye Spee pe Feaanged Foed Prmayvalonae Spee Pina Vaume S ae Tome oes Cie ssa Vek jeijied dears “TORE pled Caled Ene [apes Tobwance Coban Envtoreer. eee | MINN 7 Ure Outets I lorerod Now change the spec value to whatever it happens to be at the present time, and make the spec active.+52 - Note that “Degrees of Freedom” has changed from zero (the correct number of specs are active) to-I (too many are active). Deactivate “Ovhd Vap Rate” and look at “Comp Recovery”. Dosim a totem Fre oO iw Conon? [AF ot Spost bef tai ease secine Feed anal ee ee WU ize tes lores ‘Now do the same with the other spec. Speciation Sorctane [ForeFIaRIn Fy Use As Esinate Conagea? [Ten Suet F Dy rtBoss Spey Faedanaed5) Fas emanate Spee Pinay Upite Specs tom names el Spectator Vabe 2 DelautBais [Way] erste Va 2 56002 Degaes lfm FE rote | Desion | Paenetes [see Ops [Retna [Wotstest | Pefomuree J Rowhest [Rescrs [Dyers J Dette | cotanemicrmer:. | fun | Set | IN Upc Oe Ig+53 ‘We now have two too many specs. Deactivate “Reflux Ratio” and “Ovhd Vap Rate” and the case will run, - Spectcston Det cine ‘Speotlane [Fonpecovey —& UsedeE eine Coneged? [Wa Caren, F DyFion Base ‘Spec Ip Fa erged Spee Tied Pinan/Abonae Spee Pinay Update Specs fom Dunas Defausae [Wal | DegeesatFieesan [ Date | Cohn Erinn. Fun | fect | IT dt tate Lcd We have switched to a new set of specs, but the case has not really changed. Alll of the concentrations, temperatures etc. are the same as before. This makes the transition more or less foolproof. ‘The final step is to change the values of the specs to what we really want,+ 54 - Specticson Dette F hate caentene Yen. pectin [EaTeOe Fy Uae caine Mori a8 Conged? [er Cie io Do Fon ane see Sarna cS a eats [Feed Ranged Saco Fisd Nee maya Sper ny Up Spce on Draice ie Tite seer) | ereevae TSR Deaates [Maer “S] [rer suse vane agra = Feeten cece Fret Tacs [weed sen Bisse Lice Tsao arom Ite Cada na Sess ative Spechane [FowFacin——— UsesEsinae Conered? [wes Curent Fp Degeseat Freedom ‘The PFD should now look like this:Now do a “File Save” and “File Save As tutor07”. Before leaving the column simulation, let us review the steps we went through to get the case we wanted. 1. Estimate the distillate rate from the feed composition and a knowledge of which ‘components are to go out the top. 2. Pick a starting value for reflux ratio. Other programs use a default of 3, and that works most of the time. 3. Build a model with distillate rate and reflux ratio specs. 4. Get this model to converge. It may be necessary to change parameters such as number of stages, feed location, reflux ratio ete. 5. Build the specs that you really want and set their values to those in the working case 6. Activate these new specs and deactivate the distillate/reflux ones. ‘The model should converge. 7. Change the values of the new specs to match what you want in the column. If there is a large change, you may want to do it in stages. Product ishing The final step in the process is to condense the methanol product and prepare it for storage. Before we start on the condenser, we need a source of cooling water. It will be taken from a storage tank and pumped to 600 kPa. Initially, we will set the flow rate very high (10,000 kg/hr) to ensure that we have enough for the heat exchanger. During the heat exchanger design we will reduce this to a reasonable value. Set up stream “Water Source” in the same way that we created “Feed”.+ 56 - Condions Properties KVaie User Variables Notes Cost Parameters- 357 Now add a pump. 1 Pump Name [Water Panp Out! fTocondense = [WaerSoued—) Fad Package ne Power = asst F ‘As with the compressor, we set the output pressure in the output stream. Use a value of 600 kPa. Std Ideal Lia ol Flow [37h] Malar Enthay ancl 2e6IerD 2B comps Malar Ertopy [i*kgmeleC] 5463 5463) comp Heat Flow 1h] 1.583es003—1.583e1009 | 5 9796.04 pg ape [arg] Wotton | Petamersl [a | 2. lowed Now we can start on the heat exchanger. UniSim provides three levels of detail for heat exchanger design:+ 58 - 1. The simple method, using a “Heater” or “Cooler” just does necessary to take a stream to a specified temperature. the heat balance ‘The intermediate method deals with transfer of heat between two streams. A value of UA (overall heat transfer coefficient * heat transfer area) is specified and ‘UniSim calculates the two output temperatures. If an estimate of U is available, the area can be calculated and used for a crude cost estimate. The recommended procedure is “Exchanger Design (Weighted)” ‘The most rigorous method is “Steady State Rating”. With this procedure the mechanical design is specified (tube number/dimensions/spacing, shell number and configuration, etc.), UniSim estimates U and calculates the two output temperatures. We will defer the use of this method until we have learned more about heat exchanger design, Let us design the condenser by method 2, using the “Heat Exchanger” unit, ‘There are two requirements for the design, The process stream should exit at 40°C, and the cooling water at 45°C. Start by specifying the following data. Note that the process stream is going through the ‘tubes and the cooling water through the shell. Bi Conde Desion “ube Sido et tome [Earderaer Connections [Methonal = Passer Specs Tube Side ‘Shel Sie User Varies rani Tice oestest_] Shelode Povaheet | ase Mar ‘Caso Mar Tube Side Duet Fra Pee = Tube Sie Fda feet) Shol Sid net To Condeeer V Shel Se Outlet [Warren =] Shal Ste Fu Phig fer+59 - In the “Parameters” section select the “Exchanger Design (Weighted)” method and supply pressure drop estimates. Then adjust the UA value so that the stream “Final Product” has a temperature near the target of 40°C, as seen in the Workshop tab. “idl Heat Cave Teens | Den/Bube PL Voheofnih 5 ToconieneaW «5 ane Fra Podsl | To Dandneet | Wate Ratan Mosksheet Hy spour ‘amo? om ‘om Conditions | Teronoh6[C) 1381 Bz 003 3196 Prpotie Pressure iP) 1000 500 ‘e000 500 Maks lo ok) 1350 1350 | 1 Cangoitn nae Fem igh) 243 £243, 1000eso05 00a PrSpecs Si idea ig ol Pow fh] 7a ‘7622 soz vooz Malt Enhance Dime | 245te00S —-Zeslevo0S ene ols Erie kg] 736 2370 5453 5512 Heat Fw Fh] Folds | -ATBes00E -—-TSBBesO09 | SH2e+008 Design JA J Petemerce J Omanics [ures rasc J sods [Flo‘We are not finished because the cooling water exit temperature is too low because of the high flow rate. UniSim has a unit called an adjust. S It is something like a process controller in a plant, but it manipulates the model, not the process. It tells us nothing about the dynamics of the process. Like a controller, it changes the value of one parameter in order to bring another parameter to a specified value. © User Supphed © Another Object | © SpreadSheetCel Object Connections Delete Stat F tonoved First, under “Adjusted Variable” click on “Select Var” and specify that we want it to ‘manipulate the cooling water flow.- 61 - | select Adjusted Variable ForWater Tcontrot SS ‘Distilation — (COLI) 80 Std Vol Flow - Ob Object Fiter eats ca aPor Se ete ta S Viscosity Coefficient E © Logeals aoc © Ultities BO Watson K a © Columns | pices om — _tston_| bare a ‘Vesable Description Cancel ‘Then, under “Target Variable” click on “Select Var” and specify that we want to control the outlet water temperature. [* Setect Target Variable ForWaterTContiot «IES Flowsheet Veible Varisble Specics Distlaion (COLI) Total Component Liga \ =) Total Componert Maes F Total Componert Male Fw) Dicconnect Vaile Descition Cancel ‘The value we want it to settle out at is 45°C.- 2 - eae ‘AdustNeme [Water T Contol ‘Adjusted Variable: Object: Water Source Select We VaiableMaeFOW © Anather Object © SpreadSheetCel Object Ignore the warning about “Unknown Maximum”. If there is a problem in converging, changing the values in the “Parameters” tab may help. RR Ly \ 2) save water 1 cote at mace ertens Do youvieh to contre or another 10 eran? Cea» | This message is common the first time the model is run. Click on “Yes”. Now look at the condenser worksheet tab and verify that both outlet temperatures are correct.- 68 - Design [Raina Worksheet [ Pedomance J Dymarice | HTFS TASC J Co a To finish the design there is one more piece of equipment to add —a tank to store the product. Connect the input stream “Final Product” and supply names for liquid and vapour outputs.64 Design Nene [Meharol Sian i Inet coe Fil Product Parameters User Vatiabes Notes Detar fink PS re [Vapour outlet (kPa) Volune il Vohame | igs! FOOTE Type. © Sepaisior C 3PhaseSep © Tank [™ Design [Resctns [Raina J workshest J Omanies J 2 | ied Note that there is some vapour (mostly CO) and hydrogen) that will be vented from the tank. “Final Product” was a two phase mixture.+ 65 - ae Vert ee Tereraue [O] Hts 255 2255 Presse Pal 00 a0 20 ‘Metre se 1950 “a24 | 02630 Mas Fen [igh] 5243 sida 1047 Sides Lig Vl Fw 374] avez | ova 131Se002 [Molar Erthaby [ld komo] 24530005 | 2.440005 34230005 [Melt Emon egncleC] 2334 zat 1656 Heat Fon Bh) “A7ie,O0s | —-AES3>v006 | —[email protected] Now do a “File Save” and “File Save As tutor08”. Modeling Tools Having completed the process model we will now take a look at some of the facilities in ‘UniSim that allow us to generate reports, do additional design tasks, and help with model development. Reports+ 66 - Itis possible to generate, view, and print reports on the whole model or specific pieces of equipment. Let us get an overall view of the streams in the model. The “Tools” menu has a “Reports” item. TF Testo Fle F Detrited| Pree Format ey Pint Set Click on “Create” to generate a new report.67 - This is the result of “Create”, “Insert Datasheet”. A report on the whole model is selected. Fepott tame [Report Size: 2Pages Feepot Datasheets iin (Ease (Mar (waikbook} AI Pages Bint PF Tew to Fie FF Dekited Preview. Format/Layout. ee | & & Print Setup. [ree Datasheet Edit Dateshee wove D To view the report click on “Preview”. Here are some samples of what is in the report. A owen Taare TT TB TCR Honeywell wast s EA ‘et Yer 27008, 891827 | Workbook: Case (Main) Hq val euros mae = = ie tore cn ae oe ae a a H Compositions od ~ Ebes rai i ra Suet on car a aa ca ‘pa i na Soe ‘one: So Soe oo By cet ous eam ee feb eas aca ee aa oo? cox [B} Ss terrae oa sa one cont cose cr fet sshsrsessy an sas on ssh oe bebe os a Sa on ome Hy Ey Ei "rr rrr+ 68 - === == Ef eect Ae = e so dl = == _———— (oT nese terran yg Si an ST ae] If you click on “Print” you can print a copy. Later, after modifying the model, you can come back through the “Tools—>Report” route and print an updated copy. You do not have to redefine the report content at that time. Column Tray Design UniSim has a utility to do a mechanical design of distillation columns, both trayed and packed. Go to the “Tools” menu and select “Utilities”.Yew ty. daily Delete iy ‘We want the “Tray Sizing” utility.70 - To specify which section of which column to do, click on “Select TS”, and select the column to be sized. Discormect Lance! Now click on “Auto Section” and let UniSim decide what needs to be done.“71 - Tay Sina! Tay Seng T Gog bee tg ee Sa reasears Tap trade [Stat Nee iowants | tees = Stet rs fn ey) cma Cre : wa —— Sus ea = ‘one em ‘dyea Tolerance: ; Peeneee eee ee Pear Slonccatitces aren dometer fus0 Section. [Higher more cectine: lower Fewer sections. ey FEE Unto LC ee IN ia age When aa rer fog ren ‘ser ck canoer NP scien toned Net aied kpc oor: Lear er ec er ects onc Ne Here we have selected valve trays. In this utility there are a lot of parameters that can be specified, but we will just accept the defaults. Iemma © Sieve Valve Bubble Packed faye Veg ‘Oifice Type Suaight [Design Marwal Gitsch [Valve Mat! Densiiy 220 kg/m [Valve Mat! Thickness 1524 mn. Hole Avea (7% of AA) 15.30% BORG mm Tray Thickness 3175 mm Tray Foaming Factor 7,000 Mase Tray oP (ht of quid) 1524 mm (Max Trap Flooding-R- Click on “Complete AutoSection”. Note that UniSim has decided to do the design in two parts. “Section_1” is the trays above the feed tray, “Section_2” is below. Because the flow rates are different in the two sections, one part can be made smaller than the other, if desired, Look at the “Results” section of the “Performance” tab.- 7B “WTaySking TaySingt SSC I mance | (S#2%enRenite Petformonce | (T Trayed Packed | _ExpatPressues | View Waring. Resuks ieee Sesion 2 ZI Table real Vale r Pat Secon neler] aus72 mt Max Pod] 7658 Sechonal Ave in2] a6 Section Hei 4971218 | Secton Dela? [iP] 4iee| 1874 Nunbe of Fon Pts 1 7 Fw Lengh in] wis | 302 Flow eh 01 4136 Mar DC Back [] 207, hm av wer Load 37h 1939/1885 Max DP/Try Pa] a1 1.007 Thay Spc eas | 096 Tota Wer Lengh 472/362 We Heh wn caso | sna [ce fea nz] a2us) 0166 ea} eee tee Oe Delete a This shows the recommended design. Note that the lower section could be made with a smaller diameter than the top. Building a top-heavy column is not a good idea, although the reverse is sometimes done. The best thing to do here is to build the whole column at the larger diameter. (.6096 m= 2 feet). Note that the dimensions, although displayed in metres, are actually selected from standard sizes in feet. Useful Techniques in Developing a Model Here are a couple of techniques that can make it easier to develop models. Suppose we are told that, over the lifetime of the catalyst in the reactor, its activity can fall as nach as 20%. And we are asked the question “Will this affect the concentration of the feed to the distillation column”. It would be helpful if we could work on the reactor and the column feed stream at the same time so that we would not have to flip back and forth between them. Double click on the reactor icon and move to the “Sizing” section of the “Rating” tab. Donble click on the stream “Liquid” and move to the “Composition” section. Select “Mole Fraction” as the basis.-74- If you minimize the PFD window, you should get something like this. € 7 er a in Yond tat vert See oe oon com 1 thas obo se ‘al ages re ee re Looking at the dimensions of the reactor, something seems wrong. The height/diameter ratio is % when it should be 2. Although it does not affect the reaction calculations (only the volume is significant), we should fix this before proceeding. ‘We want to change two numbers, but we do not want UniSim to recalculate the model until both numbers are changed. The intermediate case with one number changed would send the model off into unexplored territory and might not converge. At the top of the main window you will find this: el The left (green) light indicates that calculation is activated. Click on the right (red) light to deactivate calculation. ‘Now change the numbers. A little arithmetic shows that we want D= 1.121, H = 2.242 to get the same volume. Change both of these and then click on the green light. HINT: In working with UniSim and the program seems to seize up, check to make sure that the red light is not on At this point we should have something like this:75 - Here we have our answer. There is no significant change in composition. Change the height back to its original value, close the two windows, and restore te PFD window. ‘We are now finished with the development of the model. Save the file (it should be “tutor08”) and exit UniSim.- 76 - Appendix ‘UniSim Customization In Tools—>Preferences—>Resources—>Colours ‘* Set “PFD Background” to white © Set “PFD Label Text” to black * Set “PFD Annotation” to black In Tools=>Preferences=>Simulation © Uncheck “Confirm Before Adding if Active Correlations are Present” ‘© Uncheck “Enable Cross Hairs on PFD”