Preprint Archive - Chemistry Preprint Archive : EDEFlash - COMPUTER PROGRAM F...

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1 Prprint Archiv - Chmistry Prprint Archiv : EDEFlash - COMPUTER PROGRAM F... Pag 1 of MariaAngla Mirls is loggd in Logout Brows Sarch My Sttings Alrts Hlp Quick Sarch Titl, abstract, kywords Author araújo.g. j s smith Chmistry Prprint Archiv Volum 001, Issu 7, July 001, Pags Rsult list prvious < 5 of 5 > nxt SummaryPlus Full Txt + Links PDF (87 K) Viw thumbnail imags Viw full siz imags EDEFlash - COMPUTER PROGRAM FOR THERMODYNAMIC MODELLING OF MULTICOMPONENT SYSTEMS M. Angla Mirls a, and Marilna E. Araujo LASEFI - FEA / FEA - UNICAMP, Cx. P. 611, Campinas, São Paulo, Brazil; -mail: mirls@fa.unicamp.br, phon: Availabl onlin 4 August 004. Th knowldg of vapor-liquid quilibrium data is of fundamntal importanc for th dsign of multistag gas xtraction procss. High-prssur vapor-liquid quilibrium data can b dtrmind xprimntally, or prdictd using thrmodynamic modls, using quations of stat, for instanc. Th corrlation of xprimntal vapor-liquid quilibrium data using quations of stat is of spcial importanc, as it provids not only a gnral viw of th phas bhavior of th systm, but maks possibl to diminish th numbr of xprimnts. Author Kywords: Chmical Enginring > Chmical Enginring; chmng/ Articl Outlin Author commnts 03 Jul :4:18, M. Angla Mirls Supplmntary matrial. Author commnts 03 Jul :4:18, M. Angla Mirls Supplmntary matrial. Prprint vrsion 1 (85 K) f.pdf Acrobat PDF fil 1. Data 1 0/08/007

2 Prprint Archiv - Chmistry Prprint Archiv : EDEFlash - COMPUTER PROGRAM F... Pag of (15 K) f.doc Microsoft Word fil 1. Chmistry Prprint Archiv Volum 001, Issu 7, July 001, Pags Rsult list prvious < 5 of 5 > nxt Brows Sarch My Sttings Alrts Hlp About ScincDirct Contact Us Trms & Conditions Privacy Policy Copyright 007 Elsvir B.V. All rights rsrvd. ScincDirct is a rgistrd tradmark of Elsvir B.V. 0/08/007

3 Plas us CPS: chmng/ in any rfrnc to this articl EDEFlash COMPUTER PROGRAM FOR THERMODYNAMIC MODELLING OF MULTICOMPONENT SYSTEMS Marilna E. Araújo a,1 ; M. Angla A. Mirls b a LAOS, Laboratório d Opraçõs d Sparação, Dpartamnto d Engnharia Química, UFPA Cx.P. 861, , Blém, Pará, Brazil mmi@amazon.com.br, b LASEFI, Laboratório d Sparaçõs Físicas, Dpartamnto d Engnharia d Alimntos Faculdad d Engnharia d Alimntos, Unicamp Cx.P.611, , Campinas, São Paulo, Brazil mirls@fa.unicamp.br, INTRODUCTION Th knowldg of vapor-liquid quilibrium data is of fundamntal importanc for th dsign of multistag gas xtraction procss. High-prssur vapor-liquid quilibrium data can b dtrmind xprimntally, or prdictd using thrmodynamic modls, using quations of stat, for instanc. Th corrlation of xprimntal vapor-liquid quilibrium data using quations of stat is of spcial importanc, as it provids not only a gnral viw of th phas bhavior of th systm, but maks possibl to diminish th numbr of xprimnts. To hlp in this task, th EDEflash program was dvlopd (Araújo, 1997; Araújo and Mirls, 000; Araújo t al, 001). EDEflash PROGRAM Th EDEFlash program was dvlopd using Dlphi.0 with th programming languag Pascal guidd to objcts and offr routins to corrlat vapor-liquid quilibrium data and to stimat phas quilibrium of multicomponnt systms using cubic quation of stat. Th pur componnt data (critical tmpratur and prssur and acntric factor) ar stord in a foldr calld OPTIONS (Figur 1). Figur 1 - EDEflash foldr to stor thrmophysical pur componnt proprtis. 1 Corrsponding author. This articl is availabl from: Uploadd 3 July 001 at 13:08 GMT

4 Plas us CPS: chmng/ in any rfrnc to this articl.1 - Equations of Stat and Mixing Ruls Th EDEFlash program offrs th option to us six diffrnt cubic quations of stat Van dr Waals, Rdlich-Kwong, Soav-Rdlich-Kwong, Png-Robinson, Png-Robinson modifid and Soav- Rdlich-Kwong modifid. Van dr Waals mixing ruls with th combining ruls with two binary intraction paramtrs and thr binary intraction paramtrs proposd by Kwak and Mansoori (1986) and Park t al (1987) can b usd.. - Binary Intraction Paramtrs Estimation Th EDEFlash program offrs a routin (FITTING foldr) to dtrmin th binary intraction paramtrs computd by fitting xprimntal binary vapor-liquid quilibrium data. Th binary intraction paramtrs ar obtaind using a P-T flash algorithm and th modifid Simplx mthod of Nldr Mad (1965) (Figur ). Dpnding on th availabl xprimntal data, th objctiv function can b chosn as: (i) for vapor-liquid quilibrium xprimntal data: OF (1) γ n jζ1 iζ1 x ΕΦ i Ω x x ΕΦ i c ΕΦ i y Υ (ii) for vapor phas xprimntal data: OF () γ n y ΕΦ i Ω y y ΕΦ i c ΕΦ i jζ1 iζ1 j ΕΦ i Ω y y ΕΦ i c ΕΦ i j Figur - EDEFlash foldr to obtain th binary intraction paramtrs.3- Vapor-Liquid Equilibrium Calculation Th EDEflash program offrs routins to calculat phas quilibrium of binary or multicomponnt This articl is availabl from: Uploadd 3 July 001 at 13:08 GMT

5 Plas us CPS: chmng/ in any rfrnc to this articl systms (ELV foldr). Thrmodynamic modling of vapor-liquid quilibrium in th form of P-T flash rquirs as input data th pur componnt thrmophysical proprtis and th binary intraction paramtrs obtaind. Bsids this, for modling phas quilibrium of multicomponnt systms th EDEFlash program rquirs th molar composition of th multicomponnt mixtur in solvnt fr basis. In ordr to nabl th usrs to insrt th binary intraction paramtrs obtaind, for th multicomponnt vapor-liquid quilibrium calculation th EDEFlash program gnrat a symmtrical matrix that dpnds on th numbr of componnts in th mixtur (Figur 3). Figur 3 - EDEFlash foldr to insrt th binary intraction paramtrs for th multicomponnt phas quilibrium calculation Figur 4 prsnts th EDEFlash foldr to calculat phas quilibrium of binary or multicomponnt systms (ELV foldr). Figur 5 prsnts th xprimntal and prdictd phas quilibria using EDEflash for th systm CO with lauric acid (C-1) at K. Th Png-Robinson quation of stat with van dr Waals mixing ruls with two binary intraction paramtrs and thr binary intraction paramtrs combining ruls proposd by Kwak and Mansoori (1986) and Park t al (1987) wr applid. Figur 4 - EDEFlash foldr for modling phas quilibria of multicomponnt systms This articl is availabl from: Uploadd 3 July 001 at 13:08 GMT

6 Plas us CPS: chmng/ in any rfrnc to this articl Th Png-Robinson quation of stat, with two paramtrs and van dr Waals mixing ruls was usd to prdict vapor-liquid quilibrium of th multicomponnt mixtur palm krnl oil/carbon dioxid to provid a data bas for th sparation analysis (Araújo t al, 1999) (Figur 6). Palm krnl oil was assumd to b constitutd by a mixtur of fatty acids. Th binary intraction paramtrs wr obtaind from solubility and/or vapor-liquid quilibrium data availabl in th litratur for th binary pairs of palm krnl compounds basd on it s fatty acid composition. Thrfor, quations of stat modl ar usful tools for th prdiction of multicomponnt systm phas quilibrium. Prssur (MPa) Mol fraction of CO Exp.(Bharath t al, 1993) Param. 3 Param. (KM1) 3 Param. (Park) Figur 5 - Exprimntal and prdictd phas quilibria for th systm CO with lauric acid at K (Araújo and Mirls, 000). 35 Exp. (Bharath t al, 199) PR ( param.) 30 Prssur (MPa) Mol fraction of CO Figur 6 - Phas quilibria for th multicomponnt systm palm krnl oil/co at 353 K (Araújo t al, 1999). This articl is availabl from: Uploadd 3 July 001 at 13:08 GMT

7 Plas us CPS: chmng/ in any rfrnc to this articl 5 - REFERENCES Araújo, M. E. Doctoral Thsis, UNICAMP, Campinas, São Paulo, p Araujo, M. E., Machado, N. T., Mirls, M. A, A. II EMPROMER, nd. Congrss on Procss Enginring of Mrcosul, Santa Catarina, Brazil, Araújo, M.E.; Mirls, M.A.A. Fluid Phas Equilibria, 169:49-64, 000. Araújo, M.E.; Machado, N.T.; Mirls, M.A.A. Industrial & Enginring Chmistry Rsarch, 40: , 001. Nldr, J.A.; Mad, R. Comp. Journal 7: , Kwak, T.Y.; Mansoori, G.A. Chmical Enginring Scinc 41(5): , Park, S.J.; Kwak, T.Y.; Mansoori, G.A. Intrnational Journal of Thrmophysics 8(4): , Nomnclatur Ka, Kb, Kd - binary intraction paramtrs P - prssur (bar) Pc - critical prssur (bar) T - tmpratur (K) Tc - critical tmpratur (K) OF objctiv function Y vapour phas molar fraction X liquid phas molar fraction Xa molar fraction of th componnt i in th mixtur (in solvnt fr basis) - acntric factor This articl is availabl from: Uploadd 3 July 001 at 13:08 GMT