PAEMT PABMI tit ub Don't Gamble With Physical Properties For Simulations Finding good values (for inadequate or missing physical property parameters is the key toa successful simulation, And this depends upon choosing the right estimation methods. Eric €.Cartson, span Tecalgy, he. hemical engineers use process simulation to perform a variety of important work. This work ranges from. caleviations smasi- and energy balances of large flow sheets to prediction ofthe performance of process alternatives that can save millions Of dolls. An engiveer very quickly can define & complex flowsheet and all the process conditions. Desktop computers ton allow rang, sizing, oplimization and dynamic calevlations that previously required large mainframe computers. th the past, these simulations were offen built by a group of experts, including 2 physical property expert Now, simulators fuch as ASPEN PLUS, ChemCAD Ml HYSIM, PRO II, and SPEEDUP ere easi- cr to use and more powerful thon the taualone programs af the past. Today, a single engineer can set up the base si lation specifications, including the physi- cal properties, in very lite ti Missing of inadequate physical prop- erles, however, can under the acc racy ofa model or even prevent you froin performing the simlation, That some re- quired information is missing is not an Oversight in the simulator fer sli, for must compounds, physicel property: pax tametes ae not known for every thermo dynamic motel oF forall trmperatre oF pressure mange, Models have buil-in as- Sumplions and practical lets tha should apply Ta this ace, we will provide practi- cal tps and techniques to help you accx- rately deseribe the physical properties needed in a simulation, AS an engineer You always will have co make assump: tions in terms of physical prey however: The goal af this article isto line the appropriate assumptions and when properties are The five important tasks Suecessfully describing the physical properties to be used in a sinnulation i volves five tasks: {selecting the appropriate. physical property methods 2. validating the physical properties: Xdeseribing nondatabane nents (chemieal species or compound) and missing parameters; 4. obvaining and using physical prop- erty data; and S.estimating any missing property parameters, can be argued thar these tasks are not sequential and, 19 some degree, they are concurrent. During simlation deve! pment, however, you will need t0 visit each area to he confident thas your simu: lation 18 as accurnte as possible — so that imporant decisions can be made based om the resulte of your simulations, Selecting the appropriate physical property methods ‘This essential first step will affect all subsequent tasks jn developing accurate physical properties in your simulation Indeed, the choice of the physical proper ty models for x simulation can be ons of the most important decisions for an engi~ rneer. Several factors need to be cunsit ‘CVENICAL ENGINEERING PROGRESS + ocrORER ines + 35SUCCEEDING AT SIMULATION eee TE ‘ered, and no single method ean han- dle all systems, Table 1 lists some thermodynamic models available in simulators. The four factors that you should Table 1, Thermodynamic propefty models roe ears ator Sate Models atv Coacient Mod treks ins Benn asta contin i Shae ropery Rama as ea methods ace Hyerogen ore equation a state or Nan ike inva a prin aft eae as To reson ofthe wixare; —_teterr na the pressure ‘and temperature 1e0-Ksle- locket Van aor sree iene ‘ “the availabilty of parameters, Petrbed Hadron rm Predictive SEK Special Models To case the selection of the Fight Reafer Kwang RK) See Ne a physical property methods, we SUB Rectan Soave (KS Brain 19 ‘gest using the decision trees shown in RKS or PR wn WlonSaneer tog nde Chao Sander Figures [-3. These trees are based on RKSorPRudtcutis Huron. Vent? | Grayson Seed the four factors for selecting property gre Kent Egenbarg methods, and can be used when the SaRcherLaconbe or oryers Stet Tables chemical camporents. and approxi- ‘mate temperature and pressure ranges age Known. While these diagrams are simplifications, they do show the basic steps of the decision-making process, while the notes in the sidebar amplify some ofthe key points The nature of the properties of in- terest, A question that you may ask yourself when stacting a simulation is * Not user te iui phase Nen-eectte “Does the choice af physical property eatin ‘ecto RTL methods mater?” The answer is an Fee reer emphatic YES, The choice can aa strongly affect the prediction of the simolation, You should be selecting a collection of methods that will best predict the properties or results of in 1 peng totinson RelensKweng Soave Kesler locker > chao Seacer, terest to you. rayzon S004 0° Because many chemical process - Brava 10 simulations include distillation, stip Peat See aecicn ow epee se ‘of physical property models is | et item (VUE) The | Petron igual! est. | <(DD Powe Sele te heat exchangers, condensers, dis) | | —_______________ tllation eofurnas, and reactors. 1 Figure 1. The first steps for selecting physical property methods. Braun ker est 36 + ocroseR ses * CHEMICAL ENGINEERING PROGAESSes Navigating the decision trees ors or soe pers to elp you navigate te deison ees that pear as Figaces 12. "nator peerocomponens?in mary sppcations where ory a lar molecules are poser (suc asin yeavoon precestng ae Fin ae cure eo compor tation of proving 8Y 28 Me Ta coraunts. ts eai a grou be constr by sane wet vecpaty sah being pn nt ay emit of ares CO sinter canis reducedto 3 or Teves The properties of tase gre canes called yoeacompeners f@c9esetsd by 38 ETE $Bity pare spac eo. ané molecular wat you do nat use eteomporans the canstvents soul be desis By 8 male: TB trmulg andar efecodo asreal comport Winy ae fcr mies iret? 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UNC and ter UNFAC Da a etrtecongney eta Fon BUEN SS a ace componarts sual aatable nthe Cn Uwe aa ea pot teacy coe 2 9s er em, ove mak INAS > Ye ost anal too Wry pvaeess oF wen 20 SPONSE eee fer weance, for connect thw print) Mt recert years there hve been iprovenerts to UNIFAC (se8 Tae reer pte ent VLE hea ising we LE oer 9 wor tmp sMuoronge Revert axlensions 0 UNFAC proposed for elec eh sereagerts and sugars ay be use. and you can add he GOLDS Fpocmeters to your sutton. Slats may have th ay to recta inary nracien parameter or Won, UNIQUAC, or NATL ‘rom UNIEAC. . Tint. congonents an be csi sing UNEAC, hawevss. 20d rot aroun terns ae uate xan of exponents tet 0 rat IAITAC gigs cde malas. garam: ond porate. eae highly fecemmand says doing a Search for vate data on ‘ary or terry sian of rte. “Thy fou te vapor pase fe teat? The choice of te VUE meted usin an acy caeisent motel ase requres 0 che of arte vapor hase properties veer phase assckton ob me ost te care of enc sce Men he vopar pac mel ‘fou be Hayder-©'Comall or Nothnagel A system cortaining eo ‘Ganon ay eine pac slo retest tern gion of sereetn dus to mgreen born Associaton inte vane HOSE eShave a sven lft on pase equa a eae ‘ine spol eaeuts be enerridion for othr psc) oper mates breton o dna etal. and vszosly also oe IPO Pastas end you sour automaticly ceot te defo aaa check the snl documortaben forte dete weed 3 rng ites ‘pe dans is cacubsed by an enon fst o ea Hs to abe hg denstes carbo eaclaiad by an aati of at rae spend model such a at of act, ob 2 per ae peesre dependet adel such exe COSTALD Fr pst ee penone, on Arian aout AP) wets OPA Boye. 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