18 TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING

JUNE 1-4, 2008

CENTRE DE CONGRÈS DE LYON , FRANCE CAPE WP

Organised by: FINAL PROGRAMME IFP

Supported by: An Event of the CAPE Working LGC - ENSIACET Party of the European Federation On behalf of: of Chemical Engineering Société de Chimie Industrielle Event n° 667 Société Française de Génie des Procédés www.escape18.org CONTENTS SPONSORED BY

Introduction ...... 1 General Information ...... 2 Committees ...... 3 Symposium Programme ...... 4 Synopsis ...... 4 Sunday 1 June ...... 8 Monday 2 June ...... 9 Tuesday 3 June ...... 15 Wednesday 4 June ...... 21 Thursday 5 June ...... 26 List of Posters ...... 27 Floor Plan, List of Exhibitors ...... 47 List of Hotels ...... 48 Access Maps ...... 49

SYMPOSIUM SECRETARIAT AND ORGANISATION

ESCAPE 18 c/o COLLOQUIUM 12 rue de la Croix-Faubin 75011 Paris - France Tel: +33 (0)1 44 64 15 15 Fax: +33 (0)1 44 64 15 16 e-mail: [email protected]

ESCAPE 18 WELCOME AT ESCAPE 18

18 TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING

The main theme for ESCAPE 18 is CAPE for the Users! CAPE systems are to be put in the hands of end users who need functionality and assistance beyond the core scientific and technological capacities of the systems. User-friendliness, online or web-based advice, decision support, knowledge management and organisational issues are important points that must be taken into account when deploying a CAPE system. These issues will be addressed in a special track and industrial case studies illustrating CAPE methods and tools are encouraged.

The other six main topics cover the usual scope of ESCAPE 18 conferences, from off-line design to on-line systems, including numerical and computational methods, integrated and multiscale modelling, societal aspects, and CAPE education.

ESCAPE 18 includes a rich programme of 5 plenary lectures and 6 keynote talks from leaders in science and industry, 101 contri- butions presented in 26 sessions and 2 poster sessions for other 247 contributions. 1 E S C A P E 1 8 GENERAL INFORMATION

GALA DINNER Tuesday 3 June Registration fees do not The ESCAPE 18 gala dinner will include: take place in the prestigious • Accommodation "Manoir de la Garde" located • Participation to the gala dinner on 3 June in the Pays Beaujolais, in a VENUE • Visit of IFP-Lyon on 5 June am. middle-aged village of the From Sunday 1 to Wednesday 4, golden stones land. June, at the: A short artistic live show will also Centre de Congrès de Lyon CERTIFICATE OF contribute to make this moment 50 quai Charles de Gaulle ATTENDANCE a unique one!! Free bus transfers provided from 69006 Lyon – France Certificates of attendance will be given to all participants. the congress center and back to the hotels. ACCESS Price per person : 100 € (all incl.) Metro and Bus: LANGUAGE La Garde - 69640 Jarnioux • Metro line A – stop at Foch and Symposium sessions will be held Tel.: +33 (0)4 74 02 87 91 connect with Bus # 4 (direction: in English. No simultaneous Cité Internationale) translation will be provided. • Metro line D – stop at Saxe- Gambetta and connect with bus # 4 (direction: Cité Internationale) PRESENTATIONS The pdf presentation files of the Direct bus: talks will be available for download • Bus # 58 (departure from place upon authors agreement, after the Bellecour – on the side of rue symposium, on www.escape18.org Victor Hugo, stops at: Parc Tête and www.ifp.com d’Or/Churchill)

PROCEEDINGS ON SITE REGISTRATION The symposium proceedings will be IFP PILOT PLANT VISIT (VAT included ) distributed to all conference participants at the conference site. Thursday 5 June - 9h-11h30 Delegates 820 € Extended versions of selected The number of participants to this interesting visit is limited. Identi- Students* 600 € papers will also be published in a special issue of Computers and fication badges will be required for *Copy of the student card and approval Chemical Engineering after the security reasons. note from the manager required. conference. Bus transfer provided at: 2 Registration fees include: - 8h30, from the congress center • Admission to all sessions to IFP-Lyon, 8 WI-F I - 11h30, from IFP to Lyon- 1 • Congress proceedings

E • Lunches and coffee breaks A wi-fi zone has been set up for Perrache railway station and to P • Invitation to the welcome ESCAPE 18 participants within the Lyon-Saint Exupery airport. A

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A SUNDAY 1 JUNE P E E 9:30 Registration 1 8 Room Rhône 2 M 10:00

M CAPE WP workshop (members only) A Information session R G Room Rhône 3 12:40 Lunch O

Room Rhône 2 R 14:00 P CAPE WP meeting (members only)

M Business meeting

U 17:20 I

S 17:40 ESCAPE 18 registration opening O 18:00 Welcome cocktail P

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Ch SYNOPSIS THURSDAY 5 JUNE

9:00 IFP pilot plants visits IFP-Lyon Rond-point de l'échangeur de Solaize (Solaize) 11:30

PROGRAMME

SUNDAY 1 JUNE 09:30 Registration

10:00 CAPE WP workshop (members only) Room Rhône 2 Information session, part 1

11:00 Break 2 E

11:15 N CAPE WP workshop (members only) Room Rhône 2 Ô H

R Information session, part 2 M O O 12:30 R Lunch Room Rhône 3

14:00 CAPE WP meeting (members only) Room Rhône 2 Business meeting 17:00

17:40 ESCAPE 18 registration opening

8 18:00 Welcome Cocktail 8 1 E P A C S E MONDAY 2 JUNE 08:30 Registration

09:00 Opening Ceremony Auditorium Lumière Sophie Jullian, IFP Director Didier Caudron, IEP President Andrzej Kraslawski, CAPE-WP President Bertrand Braunschweig and Xavier Joulia, ESCAPE 18 Co-chairmen E R È

09:20 I EFCE PhD Award in CAPE Auditorium Lumière M U

L Chance Constrained Optimization of Process Systems under Uncertainty . T

I Harvey Arellano-Garcia (Berlin Institute of Technology, Germany) EFCE.1 D U A 09:40 Plenary Lecture - Topic 5 - Cape for the users Auditorium Lumière Chair: Tahir I. Malik (United Kingdom), Wolfgang Marquardt (Germany) Design and Integration of Policies to Achieve Environmental Targets Rene Banares-Alcantara (University of Oxford, United-Kingdom) PL5.1

10:20 Coffee Break

10:40 Keynote Lecture - Topic 1 - Off-Line Systems Auditorium Pasteur Chair: Rafiqul Gani (Denmark), Claire Adjiman (United Kingdom) Chemical Product Engineering - The Third Paradigm Michael Hill (M Hill & Associates, Llc Mahwah, USA) KL1.1

11:20 Session 1.1 - Topic 1 - Off-Line Systems Auditorium Pasteur

R Integrated Product / Process Design U E T

S Chair: Rafiqul Gani (Denmark), A P

. Claire Adjiman (United Kingdom) S1.1 T I D

11:20 U Excipient Interaction Prediction: Application of the Purdue Ontology for Pharmaceutical A Engineering (POPE) M Hailemariam*, B Suresh, S Akkisetty, S Joglekar, S-H Hsu, R Morris, V Reklaitis, K Basu, V Venkatasubramanian (Purdue University, USA) 9

11:40 Integrated Design of Solvent-Based Extractive Separation Processes E

1 1 2 3 S

P Lek-Utaiwan* , B Suphanit , N Mongkolsiri , R Gani C

1 : King Mongkut’s University of Technology, Thailand | 2 : SCG Chemicals Co., Ltd., Thailand | 3 : Technical A P

University of Denmark E 1 8 1 D 0 M R DAN YO M

ESCAPE 18 Z i Pere z-Fo chter * K 1 1 1 1 1 1 1 2 1 2 1 1 2 1 2 T Si A S 0:40 1:20 0:40 D agr N C :2 :0 :4 :2 :2 :0 mula ta is Baai A agy 0 0 0 0 0 0 h tir b nd eted P emic K C u* , iss B rtes* , ar tio ha uti ongers

ROOM RHÔNE 2 ROOM RHÔNE 3 C AUDIT . PASTEUR C Sau to ds : F ir: Ke A E (Tech E A Se R s En 1 B s P M a Mo Key ns ha on ha al tr im hil n nh ay iod x Coue nne , b Sau : P Eric Cl e A Th o ro ir: d ssion egr p at B ir: a so ynot ippe Ap de o Sh Applic ation , u de er an an d D nd note nical B ies si ge pu okoza Th 2 latio pr ro Pi Be l an oj ic ki in y- P l ap (A mulat F ce por a ll in eru o el rag tio a M la ie okoza Sau rat e Pi U k 4.1 in f rsk Un ns on ing d Powe zo J er s tio (L s niver eru 1 eas n P Le Lce the n cci (U g nd , a ni g M o U or d i, ivers L tet H N - of n ch ughbo r nil (Un R er ion ct - Co S cci P o M L uer (It ob e ni Pr sit Bra tures N Thi P (S eacti o aB eve Topi c ef e or del ure (N E vi ng Aor Ferr e u r it a or d y aj he ntor l oce M ite (It y ctio Por d ly E l eler t me o lanc uns ce ss oz r vr e, Chem of li ng ll ) a f S aj Ex d- ough R&D, matic uc ly - Tec Gl i r-Na ss oz L Me Cat n - n Kingdo chw ( ) Topi 4 yo ten 2 ob ns So uc e t ts Topic Y , by hnol i an Mode Mod Por p n, - i al G ( M Uni c th al T ti on Le uth in So al da oni Int in ei s he Fr d He Hy c So l Wo od ode og s, ion g versi uth a ance) Go l, 4 a, In He The ge ratde m) N Afri etr i y, e 3 ut dor at- (Fr G Pilot for zny lling teg S et - lling l io rr e German an t pain) - Afri anc teor y, App Kopa herland I Inte ns ac ) Net es ntge ratde ca Computat ional 1 S ar te c U d In ter patia Plan ac ) , e), for br on ni & herl Ca or ach gar t ed Mainte nanc e g t nos, ed-K i d , and Simul at ion en y s) na ti P ands) p t | Simul or ce l s 2 e ab M J Di s ona l ngd in ous : multi scale for ED H U Reactiv ility and Mul cr s Nougu és (Uni om) , ation s T Cyr s etiz atio Cataly si s Synt hesis he versi ti thor u gh multi scale & co Ne the r Gmbh, tallizati e of ty numer mpo of D , modelling Gasif n: of E istil la AC EP lan ds V Germany Lyo Ap nent elo, f on Softwaer r n ica icat pli om ) tio modelling 1 L Pr , cati M l NE P O n Franc ion Pu s oduc a ix ol and ig on tur Quant u utions and e) jan es: t t In o er Engineeir n sta Pur te an a or nd a C A m if o pear bi icat dsopr t mpa dr ion Room Room Room s g r iso ion via li G ty n as R R R Colum n h h h o U ône ône ône K K f L L S nit 3 4 4 . . . 2 3 3 1 1 1 s AB MT 1 1 1 1 1 1 1 1 1 1 1 of 3 Mu Ger De an 4:4 4:2 4:0 5:0 2:2 2:0 1:4 1:2 K 4:00 2:40 1:20 P : A N Del A V I P d Lan g many) 0 0 0 0 0 0 0 0 ewcastl ltis Haan* S Sundara m A an kzo Ro Ex talk Ha tag Pozo Dam pe landi* N C C AUDIT PASTEUR er* ROOM RHÔNE

. rw 2 obel h e, h e 1 1 1 Pe Stud S Lu S 1 New O S Ser U A B N ir m en ai Eri ai ar ess ess yn en Eq U : : : : s * Go ew ptim a r: Fr fr A nc r: in , U D E T U B dt ni vice S c oorthy, A indho ven th ch na omr a B amewo niver elf uil al ion ion y Xu g t *, me z h Frag ed-K i Con e I t Cano ts e t ma o T S G 1 rat n E ib Bv, B U an Or - , sis f , l Kos 1 si ty F arb ir d A 1 . 3. ir um H niver *, a C , a ngd nc kr f The Dene s* pproac E 2 ungar Meyer 1 d igu & olu C P Nov el (Un ien sac of oas Co ing 1 kr e Fraga U B - - , R om si 1 Ma De , ni Ma ar rau A Netherl An ty Topi mn Top ui Mod te k, N it fo mp -P ve y z de Nu ti o Adh o d sign j rave W nc r ov | ns aly 1 rsi f K (Fr Ca 2 he H 2 , ic Se An AC P -Kingdo uting T , c hester, n ui (P t X me o el chw ec Marq y A ea : anc it sis rr ei ands 1 a pe 3 s qu roc f Ensi li of ya Jo hno a or as Ya (Br t ir c lys - - rs E: ul eig and T ess enc e), ra , 2 * Inte ac echno He O , ng C to 2 uar , l i Uni og y az al , a R is M A om et m) ff M S 2 U J 3 (Fr in So il teor S ys t dt , o an gar C ted -Line Ne O , ) L N rin f g T CG , St a lo putati em Re lve ptimi Ferris he C d nc -K ing gy Mu ee w iv Me ted azeo om pke Ag s a e), Net , F Ha ns Dier E sa Th Syst ems rance ha lt ic nter do m Hy b en za putati ma , n onal (Aa herlands e dr tor pic nd A 2 omp tion , Net t-B ctio pri 3 R che K ji Pla ir d | ev se lei 2 ased S her & onal n n ri : onent o 1 n, Lt nning P B ni Univer U f num f | - lands (Uni d, evr or atch G 2 v niv Enantio Se as Uni M : Loa Softwa ., Woz vers Nat ap paration an G odels | eri Mi si t an 2 Di s ed- erma t oar tio 2 d y io nal it y , : cal ny xt u d C Z Universi of K sele ti llat of ol l ingd om Sch er Luk ny o er s solutions AC P Univ eg W f ) n App ctiv an is c edu ion: e P s Di st z rocess ty Lo nd ersit o o E ) nsin, Oil e 1 lic Twente ling T I. F il lat y ools on, at ar c Feas of Ref SU strate ions M (Tec Por b ion Si ng apore U tiona A iner Enschede, nit ibil ity ) D AN YO hni ed-K Por le gie y c l m al Ex Supply cess: ingd o St U s s Au tr niv - udies The act d er m Si Room itor si ion N mulat | Ch t y 3 iu etherl 2 o : m ain w f U Rh B ith P ni erl ion ands J as ôn v in, N U ersi teu S S a e 3. 1 .2 | ty 2 1 r

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8 1 E P A C S E 1 1 1 2 Y ESCAPE 18 DAN YO M I V 1 4 1 1 5 1 4 1 4 1 4 1 1 1 5 1 4 1 4 Bon i Shi I R O 5:20 4:00 4:00 A t ear :0 :4 :0 :0 :4 :2 :0 :2 Za v eac 3 A ptimi mi Col 0 0 0 0 0 0 0 0 M s*, D : Marc het U ti ve zu*, S ala* tor V lazos, M C niver Pi C za C an ca* ,

ROOsM RHÔNE ROOM RHÔNE T 2 3 ana* , , H So ha G A 1 U P T A L Ses s Se La R C C Post he odorop o tio L si dade ar he er d ea omes* Mo n ha o Ka w : s ir: F lv er B M ti rg ssion in P n mpu Di ge- iegl , Imp Maré cha et ir: l-T G o ion Sol S er B g ic Usin e G rde 2 róleo di del amo s ui Engell tive Dom Chac hu K ime Fed er S Sca er B Sess ion lemen utio ter do ir g cal cha 3. 2 2.1 uzzi-Fer ra J ( g Red eral Ca to Br ul le O in U e Op B Ai in SP n i os asil l* - uz ud - Sh ptima g No Sy i ded do of u 1 qu N at* Top ta ( O Topic , timi zation eir Mo zi ctio ron a D I ste tion Ve 1 nl Ri e ch -F E , o (U D ic o O L ri B er ine de & S. n-B a l ms yr (Fr s n o de B m pear A. , 3 Bonvi Man ra Carneg iver 2 nv of Cof ls og ar a Lagr ri - Janei ase (I - nc Brazi in f s P si t l C sr or e E Por On- fe tio ( aar l ( ag e) 2 ät ompu tat P n a T It (S v d , o ( F el e ro, Re al ( ia ie e U l E ( P yo D n w L e gar O | ) y) C No o niver , Line Mel br ort 2 m lel itz Brazi l Ada al- o hashi S li ptim , t w Bi : f ecni e m eak erla m n- Univer Com Ti Pip it lo n s sit und, zerl c m n pta t Li n me Syste ai c Uni y iona l | isa nd), M o U ele 4 i E a of and n niver di P ea tion pu German v. : e ti on g si ty Jr. Por F M Uni ss tho M L o ) Star tegies r ms ti anchest , and 3 f C i , sit Plants Sw l Al g ng ver Tec c ano, a d D Fr ol leg ess y, nd i - f tz si amewokr hnol y) O f SU or nume ric eb dade or Real erland It e dl Optimi er, Con aly A ar ic the L o oa Hiear cr hical ) ondo n, gy , U ) d k f nited ) tor l Time or e co 4 Sy Japan S al za ntor l ão the stems -K fo o Uni sol ut tion f P ing r ) Op the aul Op ted- K Lar d of o, om timias tion ion er Logis Const gSe- cale po Brazi l ingd om ) atio st ly ra genear t tic n ar te gies o ints | Netw f Simul at o LP D Pos ion okr - ter E T syst Ex Room Room u De sr b h u e s ib U ig la ms ition sin n r R R h hôn g ône Ar S S e 3 2 ea . . 2 3 1 2 S F D F Brügg Li 1 7 1 1 1 7 1 7 1 7 1 1 1 7 1 7 Herrera, Mits N P In Mo On ma 6:4 6:4 6:40 6:40 Neur A :00 :40 :20 :40 :20 :00 ar ciso* Van te T J J Di ubi 0 0 Fisher del Ol F vr a eman n* Site- uchin o etz, shi al denburg* Den l P , C J Networ Ch C

ROOM RHÔNE AUDIT PASTEUR Wid Op 3 . er d E J Z h 1 Bu 1 Sup Op 1 A A 1 Dec S S Co I 1 A Man P h n Pi A emi ai hang* ess ess * Sé na ai : : : : : Corr i ear te co C icti R beel stiko s r: BA BA Tokyo T O e mpa r: timal in uft b omp po af is llig ly s cal xf ion ion mbi Sy Vebr ag M as FS FS ve b ess io ae s ord 1 k ou* tr 1 po il ity is lv U Corpo ti , e ari , n , e ir l A an C Mode I Ger Con lia ned niver A ie 2. 5. nt of nsti t me B Of so Co G ul Pr Br S und e-V 1 at 1 G ( up 2 A , , o Cau nc Co oo k En n Str oc Control ma Ge Y ut res s ntor eorg ldea T nt rat 1 - sit tor l - éron aB , po of e he e g ess S nc Topi ateg Sim y es H Top ls ny rm io v 1 ell hima of , Support M (Ja , la i tr Mo j n, SU A 1 n l 3 epts U ak Con an N | Pa , ique Tec a o Mod nc ( 2 pa ula ni Japan R f ic (Fr Ge r c y nag o ic i f (N B s* l de versi : da l N E ed hnol B r aB a n | 5 a 2 C a | 1 star i Bus ewc tio 2 sc a ) C , u 2 nc l ma Le or 2 el - n - S J em e tch , : h Per o ty Tur n : | og a nell CI n Ca e), M S r C O 1 Dupo ntor l ast ine , 1 for res La ny) , mit nt (Im , TI Uni , y ent C n-Line dic Por E Franc Mi pe , l Uni e nn - Japan Gm s ca C h K peri A Ca Fu t s Uni ed nt y 2 ti v no haar l Sys Stur ver , f ce ti on D ca aza (Fra c or bh, rrol P e) -K i al Engi hs versi ec e wle nt ss si t Sch | tem C ngd 1 wa Syst ems C t nc e) ctur G 2 l a es isi y , cte 2 ol he a neeri , , ra* t A on ermany : d y, nd leg SU ons ne V 3 om N Using ge , ir st i P for U , use e 2 tor l Y at Hag e l ol A ng le M nit S | io nal L Ma N t at 2 | 2 1 ele ond th cs ed-Ki ulti -P R rs 3 , ak Star tegies en : es B B - e : P O Univers nage ction - a on, Ins A BA earch Model W ar me Ph 1 f ng Dce ision S ti t a ag A FS ticle F’s Uni amr a dom) ye ute ar me me , Sh ne D and it B r ted- L y 1 elgi of uir ng r eet a , S nt Prde 1 of S f wa r , c Occupat T or tir c King gest um M eu echnology, Oxf A in F & m r t omr tic Wu o he ictiv e Plant d Plant Pr o r o I O rd, a1 al nt m) ogr lk Sim io nal ptimi ing , eg U o I K ndus w nit ammi n M D & SU A ar t ulated J 2 Cont M aco ed-K S esign aint satio afet ed tr D AN YO b y i y ngdo m enance s or l P en g and n M or du ap 1 w Pr o , Au Healt J ith vi ng por a oblem Bir c d tio Stac Room itor k h, 1 eB d n ch , Japan iu A 2 Sit ked Usin m for Po Rh e P l J t aB sed as | Li near ôn 1 g 3 , N U S teu S e 2 5. : . 3 1 2 r

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8 1 E P A C S E 1 3 MONDAY 2 JUNE

16:40 Session 6.1 - Topic 6 - CAPE and Society - Environmentally Conscious Room Rhône 2 Design Chair: Arsène Isambert (France), Paul Serban Agachi (Romania) S6.1

16:40 Economic Analysis and Process Integration of Hydrogen Production Strategies W Yuan*, N Sammons Jr., K Mcglocklin, M Eden (Auburn University, USA) 2 E

17:00 N Integrated Gasification Combined Cycle (IGCC) Process Simulation and Optimization Ô H

R F Emun*, M Gadalla, L Jiménez Esteller (University Rovira I Virgili, Spain) M

17:20 O Design of Sustainable Processes: Systematic Generation & Evaluation of Alternatives O R A Carvalho* 1, A Carvalho 2, R Gani 2, H Matos 1 1 : Instituto Superior Técnico de Lisboa, Portugal | 2 : Tech. Univ. of Denmark

17:40 IDEF0 Activity Modeling for Integrated Process Design Considering Environmental, Health and Safety (EHS) Aspects M Hirao* 1, H Sugiyama 2, U Fischer 2, K Hungerbuehler 2 1 : University of Tokyo, Japan | 2 : ETH , Switzerland

18:00 End of the sessions

14 8 1 E P A C S E TUESDAY 3 JUNE 08:30 Registration

09:00 Plenary Lecture - Topic 7 - Cape in education Auditorium Pasteur Chair: Chunghun Han (Republic of Korea), Georges Heyen (Belgium) Innovative Pedagogies for Enhanced Graduate Attributes in CAPE Ian Cameron (University of Queensland, Australia) and Daniel Lewin (Tech. Univ., Israel) PL7.1

09:40 Plenary Lecture - Topic 2 - On-Line Systems Auditorium Pasteur Chair: Chunghun Han (Republic of Korea), Georges Heyen (Belgium) Model Parameterization Tailored to Real-time Optimization Benoit Chachuat 1, Bala Srinivisan 2, Dominique Bonvin1 1 : Ecole Polytechnique Fédérale de Lausanne, Switzerland | 2 : Ecole Polytechnique de Montréal, Canada PL2.1

10:20 Coffee Break

10:40 R Keynote Lecture - Topic 1 - Off-Line Systems Auditorium Pasteur U E

T Chair: Johan Grievink (The Netherlands), S A

P Philippe Vacher (France) . T I

D Simulation in nuclear engineering design U

A Christian Latgé (CEA , France) KL1.2

11:20 Session 1.3 - Topic 1 - Off-Line Systems - New Approaches in Auditorium Pasteur Process Synthesis & Design Chair: Johan Grievink (The Netherlands), Philippe Vacher (France) S1.3

11:20 Development of a Novel Petri Net Tool for Selection of Process Design Based on Inherent Safety Assessment Method F Moradi*, PA Bahri (Murdoch University, Australia)

11:40 Uncertainty Patterns and Sensitivity Analysis of an Indicator Based Process Design Framework 1 2 1 1 S Papadokonstantakis* , S Agarwal , H Sugiyama , K Hungerbühler 15 1 : Swiss Federal Institute of Technology, Switzerland | 2 : Indian Institute of Technology, India E S

12:00 The Application of a Task-Based Concept for the Design of Innovative Industrial C A

Crystallizers P

R Lakerveld*, HJM Kramer, PJ Jansens, J Grievink (Delft University of Technology, The Netherlands ) E 1 8 1 6 M S U T ESCAPE 18 J K Sw 1 1 1 1 1 1 1 2 1 1 2 1 2 asperei Co H 0:40 1:20 0:40 Univer Ch M Y :2 :0 :4 :2 :2 F eetma n* S E mpa 0 0 0 0 0 D a Herna ndez* or ter ar *, si t mato C DAY t*, X y, ha ir ials ROOM RHÔNE 2 ROOM RHÔNE 3 C AUDIT . PASTEUR IT I W so J an G Ke M Sys S Sh 1 A Se S C R B s M a 1 Key ha ir: Garcia im andro n us or w I a an g, erm ha Ma li : : n gr an auriz C u ap ir: d ssion I M pid Cost Ca ynot mp tema Sop to u omp ta l ir: ap note ti sc ax si any 3 Cost Ca latio e n , me k erial inab mulat C Expeir Emi K io ia P hy – hi Pl anck as Macchiet ( me Pa e or ale Ta ue Ma , er h n 4.2 tic ron F e T N U J as n and Le Lce P erme gl Col le l la ce h D ia Ju ron an le D e ci - en P yn Mo ion ct ss (A Kon ll - K me r o Insti an Multi esig t 1 Fi n tures ia Ene el , ge Topi c s, aR c ure s amic (A us Robe D n CD ive t ides to ntal el T t lecul ar E I ia al di es ut us tra C Lo (Fr n ides Mei gr y e l e I ( - ( i ign sc ndo Popu For n tra Im Imma of Uni li Wi mis a - s rts (Gre e fo (Unite Topi a) 4 d nc ale peri Topic an li r l x P ata to (Unite n, versi a) ( F - a Dy nami ús e) ation or du ti er n utu ( d nd I Uni al lation M Mo nu c Model nt Appl Fe ce ) Uni d K t Co ax 4 a el ge ratde ted D ine 6 er s rnán Kingdo d ctio Deg d 1 - versi ll Pl (tbc) Re ev i cs , eg ed - -Ki ng Kingdo e I anck IT tic aB ntge ratde , CA PE li ng elo of e, a ling n l dez, an i Researc t Ma c y , St Mo lanc C Lo P ti do of pment m), udi I omplex or c d nsti ons : ndon, li and A m Leed m), a n k wh Tr e t and 2 t es ute K | h, , e T iest Mod 2 ie S ool ses a s, U Calr o multi scale Uni : nle o Techni c E o e, and t nit Uni IC I Soci f mme f we C ted I fo ed-Ki Com tal el for ol t Wil ton ed-Ki r y -Kingd l multi scale ety o oi Si ) En ca n al tt f the ds ngdo mula 2 plex Em Syst , antio ngdom) and N A om model do Design ppli ulsio m) ems, W tion Sol ution I ) nterf mesr ed il ab out l ia Germ n modelling Research, ms aces, in ling Poly wit 2 of E any m Co G it and meir s Nan h ulsion ermany | I polym er U nt 2 nit : e o ation Ot g ed-K Stur c Poly ) ar t t o Von ingdom ion s f mer or tuer d Guer Room Room Room of DS P iz atio icke & R R R h h h n MDW : K ône ône ône K L4 S L 4 6 .2 . . 3 2 3 1 2 A G 1 1 1 1 1 1 1 1 1 1 1 Pa Si 4:4 4:2 5:0 4:0 2:2 2:0 1:4 1:2 4:00 2:40 1:20 J Uni ve Meth Roppo N Z ng Dünn ebi Liu* B N pe X -M 0 0 0 0 0 0 0 0 Chen apore A Z Sam mr ak yo rsi t od heng, H C nen*, ub*, y,

AUDIT PASTEUR ROOM RHÔNodge*, E . h 2 o R mons* 1 Pr Tor 1 1 S Lu Sess P P & A A D A C ai U er A log ef ing ess ar or nit ed h r: : : : es nd od S M P ini n H Ag F nc A I U ai R nstit ub ystema So ctic ces or G y ign uburn Ki niver ion eth r: ion rze Seki, uc h 1 Rita g ab S ile -Ki , to les m*, ph Em ute Co s R al 1 ti on Ay j od o ri type , ng 6.2 An si ty ie 5. la h Proce K Sriniv el D f m Ch il Uni of Y J d oo do ra ol H i a 2 tic Jul pany a Sm og -L aly Lov Gl Na Ch sla - eat- og m Hen all ve 1 ti n Kondi - Agen ( li in , as Topi an Ba Far asan an ith emi ti Top w W rs k ett ss y enge go e g cal a ye it Cr- e ski inte ning f y, W me 2 a Yua (F cal or w, Oper c r , 1 ic t- li nd U ra , T J (Fi Tec ide 6 Unit echno aB (Gre s gar t e R De and SA mas Morri wokr 5 n n nl - (Argenti In (T P ce) S 1 hn s - C , Dy at and) am sig or c | ed- rin e Eng ( M D ch CA 2 APE ce e) U d lo ion olog d s i ( pere ev ning nam : va Ki niver fo * i To es gy Mod , Ede Al 3 ineeri P PE ng G r elo ky s s abam ower (tbc Servi an na and Bi ies do m O Univer o si t Bla n ic for and ping 2 ), 1 e oer ng y Inst ptim , , ), lin aB y (P A c u, of P B a Socie es, | S Sy it N the f 2 C g A J cienc M ut Ev ine sit T Data enter isati o G Pekny, es ks s : Sel e App anchest y ) tem Dares alua ermany o oy o yr user ian ty - es, v f f the Tec ag 2 Tec or ach Por fo - -D , s n Sing ting H Netwo bury Ne r ur u wi GV s er, hnol hnol by ir v en P Impact ) duction Cu - aper th apore w U 3 Qualit Inte o Bio Inno ogy Rek nit ll f gy , Decabr o Ene or i na and kr ed So , mas vatio lai gar Japan | Fi Enegr n - f 2 rgy Mo ft K 2 nland) or ti y O Bi ing s : Sen ti ng s n oreso urce Nati p Assur P del ) d Ut Sour C tim or c nisat om y entre, sosr onal iliz at AC P Sy f izat ) es or c a st ion e s nc U F Q U ( em s ion ion Engi neeri E P Sy or niv nit S E U T & e urd ualit y T st ed ersi ty ools Q An Syste Netw ue ems -K ualit alysis U ingd om M ng, of and ni ms Engineeir ng okr s versi y DAY anagem Singapo Au SU A P Six er dict t d y, | Room itor 3 SU Sigma : r e iu Newcastle 3 A) ent ion | m 3 Rh P : J in as ôn N U S S teu e 6 5 . . 2 2 2 r

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8 1 E P A C S E 1 7 1 8

ESCAPE 18 U T M 1 4 1 1 5 1 4 1 4 1 4 1 1 1 5 1 4 1 4 P G P 5:20 4:00 4:00 J B :0 :4 :2 :0 :0 :4 :2 :0 la Cast luc Basual Ca b S S E S Do 0 0 0 0 0 0 0 0 E nt Mour et* F K os Jaha nshahi ro* aller o* Gal rnea örk C DAY e ha do* ROOM RHÔNE 2 ROOM RHÔNE 3 C el* va ha O F 1 O M R M Ses s Se 1 1 1 N 1 Mo T P Post ir: nu*, J o a r igo ace : : : : : nin, nli ptim u L ul ir: L I wa o ult ssion Ste H C U M D I U Pas P, de ce tOip- ar um niver P ne ion er or Yan k C N-F 3 dr , n -ba Di M negi e ac l I M l ss ET N I S/ S Je K us bol R Session LQ B s m ag B RR O 3. 3 n sity z B 2.3 1 Salahs edu Mo 1 ay sed N U J Fl LP On , ows ild dt-Un , er 1 arolo, F Creff H , E A no oqu G lowshe M 1 of E I ea atio Jo xp 1 , , - , de -L ctio I, Arel , - N ell on I ki De I M Sta sis Rosa A rgen Top Z , G Port G er Topic ivers et in ov ho J li ls . ( F ns ( ca rossma 2 rossma Po co n Franc an Gri E D im en LPN e bi lano- ais ( or, Bezz ri U u Fra ic nt av et sen it & Tec Mode o, la gal liza T mp n d ä 1 e evi i 3 iver nd) , R t, , me i nce), Arg 2 O Cof d I A Spai e) Ga rc | de tal hn Ger o* - Opt os n Kha tion (Denma 2 nn 2 ptim nn - sit , k Carv C enti S - , ntifi c itio O ique : fe l- y, 1 A. D n ompu tat man 2 Hovio , lots rrat* aB s imias ia n- | e SU na es P of iz at ion R n 2 2 al Pes Line br , y ign s ig atio A | : Un Me ed h J rk) Mod ( | 2 Car f ne al ( Uni o eak or Sc | 2 tia t 2 : l 2 stab i ion f De tho : U L n 2 hö or negi e ver Dy Syste u : iona l oures, Ber (Del R,N el usin Total , Sy x ne sign Ke 2 si t d namic l lin for e s P ft y be fo tem Ro M e y g G Technische o U Portugal and ms tro F r rge ell on f of P Cur dOei- l sario , rance nivers P as-Lift ed Pad the efr l or ces eum Ap Exp - r O nume ric 2 omr ova, O Uni vers , Op p A i plied G t y U eir nline timi zati r genti s o ni W Un It timal ance f Simu ments vers aly Tec Oil o it ivers to na Op zny y, ) al A it hnolo y SU A a W Indi lator ppl on Sch ität sol ut ear 2 of No e , T lls gy , of ication edul cat ti o echno Germ n-invasiv s ion C T and ns osr he hemica ing any l st og Sc N Sur ra of etherlands y, hedul ing o te gies f I ran) e r an l ogat Biosenso Plan Pos I nd - e ) ter ts ustr Mo Opear ti on Ex Room Room r ia de h of l ib ls aB ition Blo R R tch h hôn o ône Ar d S S e 2 3 ea . . 2 3 3 3 G G uill éGno- sálbe B Ri C ve ra, N orton C 1 7 1 7 1 1 1 7 1 7 1 7 1 1 1 7 J C En 6:4 6:4 Melbourn 6:40 6:40 P z L D En K Az :20 :40 :00 :40 :20 :00 A S av ( Arg Jimé nez M gin Faria, 0 0 gin B zaro-Pantel A anagh il dhit Shach am* dea* X üe so, eer eer

ROOM RHÔNE 3 D AUDIT . PASTEUR ya* e, M C el ing 1 Ef Synth 1 Sup 1 En 1 Deve 1 Wha S S AC P C A S ing h A Este l ess ess yn h E : : : : : Bag N f Z ai Ne ust ha ect D I U S N E B ai nsti t Ca dra r: ogal Pir pl eGn- th E elf niver He r: ion ion * ral E t nc w ler* , lop du ajewi En es y e t le is o Xa ute nc To vk i IAC a n U sis Ch f in App , ro, is c ' urion sity riq 7 . 1 . men | S niver o ' J iple Ca vi 1 ol ation N'I ' g I 4 of , ET up o 1 1 Kim* 1 cz* 4 er ai Kata Kra , I L 4 s , ue f : of th Ch tal or A Camero R - 1 - Uni n in s Cyr og Vic PN I si Jou , U Y t a e Qu Topi c v ty Top S Ma D ac v M emi R oon ytic of n , n k Bio an riniv ia versi Un o i imi R isk T-LCG , o is v d 1 li e h , C , er f Sus a , to cal ja ensland Pe I F ic Wh C T tec A mm to an utl de Rea si (Rep (Fr eni ec ty a s Ma He ( n* t Uni 7 rry 1 and Sl G sa y Fa ta i ( 2 hno sr ta the p o h Po a at 1 of ov c o - f n 2 - rn and nc esr , Franc n (U c , bre inab nag versi , ublic Sy ur d 1 C CAP to rtuga S , En Off ology Eng t l N eni is , og y he e), niver Aust ndin mi De dney I iv e r g Cros ''UO T egr on K B ty em at, a) e ineeri Neg Des le th -Li , ari ez, rau sign o ral E T Rovi r | l) si t 1 3D , g f En : , he 2 y T en mi th ne A ia y in X Why Ko ev, ne ign R an : Sy ng ust Sch wa of egr Net 2 ' | N E t of Envi Jou ' a de ucation Ge n r 2 rea Systems (Uni th in Israel ste ralia d 3 O S I it on af er, : E S cienc Vi , herlands y k e or u li Mul In C Engin ) When, laho a ms 1 or nm rg versi c, Sy TH I E urtin , (tbc), sights 1 | Pla | , N il 5 M gh es, i 2 stems M J S , tico ma, : ty Spai B ntwide : Rodr igue z Univers Monash Me dir , eer Si PN I al Uni HA en of | - L ng mpo What, SU 2 l of e iu n Plant Manc ts vers ing ) : T, : apore Z 2 La A) A Univer , Stude O F M it nent nn R J rance it y y C Ne Uni P P hes w of Who. Ta ontor or 1 , of | a Ala , ide versi w M J 2 s Technol t S nts d nd blem it er, Connect Wa e : y Chal A ba Nati 2 of ty, Ma & U , Dyna s l an W ti D rt ter/ nit St A er Aust Networ , onal hich Solv ogy, d m te len ar t S ed 2 icut hall , st o, I W -K ndust mic G ralia erdam egy: ge U ing Aust M , ing ast On cro F SU A ni S E U T on f v Gia do Simulat or k ewat ersit y s ralia es App r ,T he s te y m 3 | , Pr mber i s and 3 ) O 2 A | , oc licat of : N e 3 pear t M H Tel-Avi r etherl : DAY Si ng apor es ion o W Netw Au Universit D ni, ad ion s av her d osr Sy ley ands Room itor v id to stems Uni okr s e? 5 2 , e in , iu y 3 G A Vam versi m of Por cess Rh A Ba P yac J as ty , ôn rt Plant N U teu S o S Isr e he 1 .4 7 n . 3 1 ael 4 r

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8 1 E P A C S E 1 9 TUESDAY 3 JUNE

16:40 Session 3.4 - Topic 3 - Computational and numerical solution strategies - Room Rhône 2 New Computational & Numerical Strategies Chair: Stratos Pistikopoulos (United Kingdom), Peter Verheijen (The Netherlands) S3.4

16:40 Biclustering of Data Matrices in Systems Biology via Optimal Re-Ordering P Dimaggio 1, S McAllister 1, C Floudas* 1, XJ Feng 2, J Rabinowitz 2, H Rabitz 2 (Princeton University, USA) 2

17:00 E Inductive Data Mining: Automatic Generation of Decision Trees from Data for QSAR N Ô

H Modelling and Process Historical Data Analysis R FC Ma, F Buontempo, X Wang* (University of Leeds, United-Kingdom) M O O

17:20 R Optimization of WWTP Control by Means of Multi-Objective Genetic Algorithms and Sensitivity Analysis B Beraud* 1, C Lemoine 1, E Latrille 2, JP Steyer 2 1 : Veolia Environnement, France | 2 : INRA , France

17:40 Design of Constrained Nonlinear Model Predictive Control Based on Global Optimisation M Cizniar* 1, M Cizniar 2, M Fikar 2, MA Latifi 1 1 : CNRS – ENSIC Nancy, France | 2 : Slovak University of Technology, Slovakia

18:00 End of the sessions

19:00 Bus departure to the Manoir de la Garde 20:00 Gala Dinner 23:00 Return by bus to the hotels around the Centre de Congrès de Lyon

20 8 1 E P A C S E WEDNESDAY 4 JUNE

08:30 Registration

09:00 Plenary Lecture - Topic 6 - Cape and Society Auditorium Pasteur Chair: Claudio Oller Do Nascimento (Brazil), Gintaras Reklaikis (USA) Computational Chemical Engineering Modeling Applied to Energy and Reactor Design Luc Nougier (IFP, France ) PL6.1

09:40 Plenary Lecture - Topic 4 - Integrated and multiscale modelling Auditorium Pasteur and simulation Chair: Claudio Oller Do Nascimento (Brazil), Gintaras Reklaikis (USA) Challenges for multi-scale modeling of multiple failure modes in microelectronics Jürgen Auersperg (Micromaterials Center, Germany) PL4.1 R U E T

10:20 S Coffee Break A P . T I

10:40 D Session 4.3 - Topic 4 - Integrated and multiscale modelling and Auditorium Pasteur U

A simulation - Physical Property Modelling Chair: Christian Jallut (France), Andrzej Gorak (Germany) S4.3

10:40 Modeling the Phase Equilibria of Nitriles by the soft-SAFT Equation of State A Belkadi* 1, MK Hadj-Kali 1, V Gerbaud 1, X Joulia 1, F Llovell 2, L F Vega 2 1 : Université de Toulouse, France | 2 : Institut de Ciència de Materials de Barcelona, Spain

11:00 Prediction of Partition Coefficients Between Food Simulants and Packaging Materials Using Molecular Simulation and a Generalized Flory Huggins Approach O Vitrac*, G Gillet (INRA, France )

11:20 MEXA Goes CAMD - Computer-Aided Molecular Design for Physical Property Model Building A Bardow* 2, S Kossack 1, E Kriesten 1, W Marquardt 1 1 : Aachen University, Germany | 2 : Delft University, The Netherlands

21 E S C A P E 1 8 2

ESCAPE 18 D E W N 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 2 1 1 1 E Ch 1:40 0:40 0:40 P V Ol S J LunOa- D :0 :4 :2 :0 :4 :2 :0 :4 or A P Morbach , Cauv Venk 0 0 0 0 0 0 0 0 emic iv N Sure sh* G du C ier-Mag DAS YE N guyen, onça lves* C C G cti ha ha atsubra m in* al AUDIT . PASTEUR ROOM RHÔNE 2 ROOM Rerken s* HÔNE 3 C rtiz* on R S O F Sen 1 A 1 1 Se Mo s O A O f P Se ir: San ir: ha o , aj im Por c a ess r n : : : M ptimi n n r Ge ev ag ult A ssion ss ion Sté I I P et*, M Je ir: mp toM toAC P EIT N de In s u S ur dro An ion B or W an- opa e up lati o ner S- teg , due Bagaj p esses De arbieux, erial li n nt G G iesner ha an ia n za ton H. P D O p M M Lisbon, la ion g 2. 5.3 4. 4 tectio ic ar te la 1 He Heyen or ne U tio n , n arc Colle E acc Hs i of 4 cemen o G niver ew 4 Scien LE ting - treu Srin 2. n *, Déche l Es u - - - 1 1 d Ca h Joglek Dy nam i Le , , i 0 L : cz* o W ge n Topi Topi c Topic ietto Port P ( p P Fr sit U J O SU A), x f iv – Ca uñ tal an E tif L y, Ca str o , Lawre Per ame Lo Ma ntolo a t a ngineer ann M J ugal as n ic U rri a yt ic c d for ot ndo ar (Unit (Re- EN SA ve rqu (S e, 2 5 4 Inf 1 te Iso 1 L (Uni wokr c , ( | pa ( n, e g Fau nc Fra B 1 ntiv - - - Singa S- Hy | 2 omr (Fr ard , Si m ic ) lation de 2 Lan On-Line CAPE I Uni Us A in) Ce e : H versi nt al nc e), (Uni a : dor g 2 I LT U / ing lt e t , N nc Uni Kingd om) a ge ratde Hs ted for ls ation ulat n, C M De p M bl ova e té e) versi C o u t MV -King Des athe aB ed e ainte r en M 1 , de ST for tec e) Pan ion , i O s P ode ty Airli nes, se 1 Man Li Lisb Sys Gen , ign Le tion nto do A ma the ege, C o te d nan k f and ( m l- li on, A Lann on ki O R tems logy d tic aB s agement ear ac an se and | k es ( users B F I c 2 laho U Po elg hen the a ty e 2 ge mult iscale P SA : , ti on l ed rtug , 1 ( fo P Schedul i SC Mo , um) Franc Local - l ma, rocess 1 Uni L Mod , r Faul Flow - al H Hai Computer-A i A for m del I versit SU nfor e) dj Ma t System izati on el-aB le Sys t i ing A) man Ass ing De ma y os Sod tems mation , model Germa Know 2 tce tion ria uar Univer 1 sed in , ium CD f m En or Pr nce 1 terprise A , n li ng oc le ded Pr si t I A y ppor T B mmanu ) d é e essin ocess oor h in & Ja ge c d and hnologies e Pr i D Loss n ach Ltd., To 2 M eepw oc , ydr g ulo G el Engineer anagement es Plan United-Ki 1 : ide Rek use, A s ater pplic Engi ts lai Franc Au tis Oil neeir ng ing at ngdom d 1 , Room Room e) itoriu io & n Gas o m n R R P h h a ône ône st S S S eu 2 4 5 . . . 3 2 4 4 3 r J -M T 1 1 1 1 1 1 1 1 1 1 P eB 4:0 4:4 4:2 2:0 1:4 2:2 4:00 2:40 1:40 1:40 Dy n M K V Sy C R Ch asanis* lein* ac ha M üller* st 0 0 0 0 0 0 Caul G eme, C cin ami vi ou Lam* , h , Haarlem J ai kin* N AUDIT . PASTEUR RHÔNE 3 e ROOM RHÔNE 2 PASTEUR Deseu cs G r: at 1 P (Im Cell Tow A Mo 1 Mo Por S Lu I S si C C 1 sr deas erm essio ess o Iq mu , pp h h al : : : K o nc pu A peri O U R ai ai ia ab F del del du f R IS , S a lica niver any r: r: ranç tt o ion Cycle Ahma h mer* SCF O re lat af r la M dr l al i cti - n A Da yudth Franc li n li n Mu iq tio Von en sh s io tio Bra Col nd 1 .5 sity ois o 4. 1 ul g g vi a , n n n j n rzej J d, 5 lege d at ab M 1 Comp an Gue e G New instormi ng of s , - an Ma aB Schul u - of a B | - E M ani od Comput tin Top i D k d 2 ogl Y Top d la Kra , r Lo a réc or 1 i : Fa ( Simul a ell a cke C , K Uni CP (Den nc A G ndo ze- tm Dig e J en a (Russ irw sla xens, h c Ko in ic P e ir so (Unite e und, al U CF tde 1 i i n Ho g n, go g w 4 nto ital (L e Mode niversi ear ma 1 (Fr ath - ski f at Uni , E n ia uri F or - ti on rse V Germ O M P Ki ravd ranc Se anc iona ) rk) I of P tion d er, er ntge ratde t (Fi ff -L in ng dom He O l ed 2 ac t ss ät, , I, King ling 2 Hi g e) e nl o ff- Y -K i X i Franc kin any , ss ion f l and), G H K Line S el Jia, F a ng er h e id ea do luid of g Kotha 2 | Me do , ma ), ore e) Te S 2 Alg S R t m), Inf ystems m) Dy : Exc mp ny Sch W mbar ne nk I Dy nam i nsti and luen oir thm ri, nam illia | o hange er mi 2 tut H H l 2 , : ms a tt za m U Max für tur 2 - ic Pa ul Re Ph V Mi cr cs to Mi Op e r tiscale rk, iur Pl i Mod ar ma ceu krot c F C anc h uel timi s s E ylin l or l 2 echni k N R , k ea els A ep C Ins ( P dir c mod Uni atio ell K i cto st licat t i i t en i ut versity k Mainz tic al Pefr n opoulos r elling le f al ür U ion o Pellet 1 W f sing or D & M o Gmbh, ynami in f manc D E Bio ammalia Leed and , -P M Comp A acked Pr D k S E N Ma s, G es Komplex K C Uni od ucts ermany : ntalar utat El ect ted C n B DAY ells C eds Au -Ki ional is er ultuer s or c ngd d Techni scher Duir ng Room Room itor hemica o Fl ui d iu m) 4 m Rh R P hôn J as ôn l N U S teu S e e 4 1 .5 . 3 2 5 r

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8 1 E P A C S E 23 24 R

ESCAPE 18 D E W B 1 4 1 1 4 1 4 1 4 1 1 4 1 4 Sing o Co N P P 4:00 4:00 n- S D H or :4 :2 :0 :4 :2 :0 Duart i Trau t mbr Subbi lin 0 0 0 0 0 0 G ces h*, Herná ndez-E imene z e DAS YE N a, K s ma nn* a e* Port ah *, ROOM RHÔNE 2 D ROOM RHÔNE 3 Gern aey, C pp 1 A 1 O A B 1 A Se Se 1 C Es V ata ha a al ha ugal lic : : : : ff M D No tima ssion ssion T tc P U U U ir: -l id H. ol yt atio ec ir: niver niver niver Tos a h Tom ine atio vel H. thema A omp Lui scoto* Sch echnic tio hk re n Prei R si dad si dad sity de 1 .6 2.5 etz Netwokr s n s n ll o ed Ga an 1 Pu 4 ositi o 1 si , o of ki , si Z tica - gn M Schoo uli f - G o- , g de N helev ni ig 1 B Topi c a S , Topic J er a Gar ( U J j ng Henni R ( aner No o cio G E Moura Cla l n n f ng Pr F ua , l -base nal Appor a ink PA wi th Swi c of rwa (I ogar m ss ia EN el najuat rela 1 (S 1 2 E n 2 T* l del , t ( , ngi zerl of g* y - pai 1 R G - H , ), I d nd) s O nte 1 er FJ O Li A neering Stir o, ys , and n), Sa C t ff gu C ma ch n- oral min N Mexi tem on mr e -Line ge er Ma il T ev Line | to ar- ny) e , 2 tinuo bi d g chni Arg e , s (Uni ver c : rav diate e Po S Ló o s Tank Far f C 2 l hor o 2 , entina | Sy cal Syste rtug laus , p r e N 2 C us- ez me li on-line stems : M Uni as t- Temr thal al sit Du S Insti tuto 2 Bio time , 2 ch ät wokr O | | versi ms I M 2 2 e Uni ver wi D er l i v : : D ort nd N Universi ty U C ei a - ty - Fo a Schedulin ates Poli técni c ra eri Pr for m P pplicatio t o tor 2 mr ul F sity rocess f und, 3 a- oce Denmark) – Optim s Usi Gon Quími o with f G ation ss c Techno of o ng ermany) zá Schde uling N Monitoring g W ns c al Disc acio os Timed l of is c e for off z M logy Indust ri ai onsi 2 M nal, , er t e-D -line odel A Pr ulti -Pur n, , R Germ M ocess Aut SU A D exico desig Selec s o e omat S. A míng & any l ayed pos Sch D ., tion/ n Portugal ata ue a e of ed M Mod z- B ulin PA V atc Bo easuer ments al T ca | id h g Room Room els * 3 neg a s Por : ys t Universi t io tem ra ces n R R 2 h hôn o ône s s f es S S fo y e 2 1 . . of r 2 3 5 6 1 1 1 1 1 6:30 6:20 6:00 5:40 5:00 An AUDIT . LUMIÈRE drz Be J Wol En Closi ng E E B L an o CS A CS A est rtra ej d ng T fg o K hu pap an nd f PE PE ras te th ll g r ie cer la B m e er 1 9 1 8 M rau wski (Po 1 8 emon achie arqu a and asses ns nd th la (F nd ch E a eb inl u P v rdt wei ) y sm ro eme S a s nd) E t p (Ger g ent ea post 2 and nt 0 n 09 ma er S a Xa wa y ny) pr mposium awar v ier rd ese Joul ds ntations ia (F on ra nc Comput e) er Aidde W Proc D E ess S E N Engineer A A Au Au DAY u u d d d d itor itor itor itor iu iu iu iu ing m m m m 4 L L L L u u u u J m m mi mi N U ière ière èr èr e e

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8 1 E P A C S E 25 26 ESCAPE 18 1 09: 08: 1:30 00 30 N F I P- O Ly T Bu PF I Bu on SE T s s R U H pi to d - ep lot Ro Ly on-Per ar plants nd- tur D S e poin from rac v t isit AY he d th e (upo rai e l'éch cong lway n 5 an rge istr r st geu ess atio n N U J cen r ation d e and ter So o nly) to E l to a i F I ze the P-L (Sola air yon p iz or e) t LIST OF POSTERS

The posters will be displayed from 2 to 4 June.

Topic 1 - Off-Line Systems

P001 Combined Nitrogen and Phosphorus Removal: Model Based Process Optimization N Alasino*, M Mussati, N Scenna, P Aguirre (INGAR Instituto de Desarrollo y Diseño (CONICET-UTN), Argentina) P002 A Systematic Procedure for Optimizing Crude Oil Distillation Systems H Alhammadi* (University of Bahrain) P003 Integrated Design and Control of Processes Coupling Exothermic and Endothermic Reactions P Altimari, CS Bildea* (Delft University of Technology, the Netherlands) P004 A Study on Naphtha Catalytic Reforming Reactor Simulation and Analysis R Alves*, F Menten, R Guardani, C Nascimento (University of São Paulo, Brazil) P005 Computer Aided Modeling of an Extractive Fermentation Process for Bioethanol Production: Outlook for Development of Reaction-Separation Process RR Andrade*, EC Rivera, DIP Atala, R Maciel Filho, F Maugeri Filho, AC Costa (State University of Campinas, Brazil) P006 Evaluation of Pervaporation Process for Recovering a Key Orange Juice Flavour Compound: Modeling and Simulation WA Araujo, MET Alvarez, EB Moraes*, MR Wolf Maciel (State University of Campinas, Brazil) P007 A Microeconomics-Based Approach to Product Design under Uncertainty C Whitnack, A Heller, M Bagajewicz* (University of Oklahoma, USA) P008 Model Predictive Control Based Planning in the Fruit Industry A Blanco 1, G Masini 2, N Petracci 1, A Bandoni* 1 1 : Plapiqui ( UNS-CONICET ), Argentina | 2 : Universidad Nacional del Comahue, Argentina P009 Representation of Residue Curve Maps with Pinch Zones J Bonet* 1, M-I Galan 1, J Costa 1, X-M Meyer 2, M Meyer 2, AE Plesu 3 1 : Univesity of Barcelona, Spain | 2 : INPT-ENSIACET, France | 3 : University Politehnica of Bucharest, Romania P010 A Heat Transfer Model of an Ice Cream Single Screw Extruder P Bongers* 1, I Campbell 2 1 : Unilever R&D, The Netherlands | 2 : Unilever R&D, United-Kingdom P011 Compensation of Inlet Flowrate Fluctuations in Offshore Downstream Sections.Control 27 Algorithm and Performance Evaluation

1 3 2 E

G Bornard* , E Verbrugge , H Khatib S 1 : CNRS, GIPSA Lab, France | 2 : RSI, France | 3 : Total, France C A P E 1 8 LIST OF POSTERS

P012 Computer Aided Polymer Design using Group Contribution plus Property Models K Chelakara Satyanarayana*, J Abildskov, R Gani (Technical University of Denmark) P013 Enhanced Algebraic Property Clustering Techniques for Molecular Synthesis N Chemmangattuvalappil* 1, C Solvason 1, F Eljack 2, M Eden 1 1 : Auburn University, USA | 2 : Qatar University, Qatar P014 Optimize Process Condensate Reusing System for Ammonia Plant by the Synthesis of MEN L Chen* 1, J Du 1, Z Gao 1, P Yao 1, WD Seider 2 1 : Dalian University of Technology, China | 2 : University of Pennsylvania, USA P015 Supply Chain Design Considering Plants Performance G Corsano*, J Montagna (INGAR, CONICET, Argentina) P016 A Reverse Engineering Approach to Design Oriented Properties Polymers MC Costa*, AL Jardini, AF Romão, MR Wolf Maciel, R Maciel Filho (State University of Campinas, Brazil) P017 Entrainer-Based Reactive Distillation versus Conventional Reactive Distillation for the Synthesis of Fatty Acid Esters M de Jong* 1, A Dimian 2, A de Haan 1 1 : Eindhoven University of Technology, The Netherlands | 2 : University of Amsterdam, The Netherlands P018 Mathematical Modeling for the Crystalization Process of Hydroxiapatite from Bera- Whitlockite VR Dejeu*, R Barabas, A Pop, E Bogya, A Imre, PS Agachi (University Babes-Bolyai, Romania) P019 New Configuration for Heteroazeotropic Batch Distillation: II. Rigorous Simulation Results F Denes* 1, P Lang 1, G Modla 1, X Joulia 2 1 : Bute, Hungary | 2 : ENSIACET LGC, France P020 Studying Extractive Distillation Processes Using Optimization AM Emhamed, B Czuczai, E Rév, Z Lelkes* ( Budapest University of Technology and Economics, Hungary) P021 Optimization of Caustic Treatment Processes of Zeolite’s Sorbents A Ermakov, D Dvoretsky*, S Dvoretsky (Tambov State Technical University, Russia) P022 Supply Chain Optimization with Homogenous Product Transport Constraints T Farkas 1, Z Valentinyi* 2, E Rév 3, Z Lelkes 3 1 : Optasoft KFT., Hungary | 2 : Provimi Pet Food, Hungary | 3 : Bute, Hungary P023 A Sensitivity Analysis on Optimal Solutions Obtained for a Reactive Distillation Column R Filipe* 1, S Hauan 2, H Matos 3, A Novais 4 1 : Instituto Superior de Engenharia de Lisboa, Portugal | 2 : Carnegie Mellon University, USA | 3 : Instituto Superior Técnico, Portugal | 4 : Instituto Nacional de Engenharia, Tecnologia e Inovação, Portugal P024 Optimal CO Clean-up Reactors Design. Modeling and Optimization Aspects. 28 J Francesconi*, D Oliva, M Mussati, P Aguirre (INGAR - Instituto de Desarrollo y Diseño (CONICET- UTN), Argentina) 8 1 P025 Synthesis of Zero Effluent Multipurpose Batch Processes using Effective Scheduling E

P J Gouws*, T Majozi (University of Pretoria, South Africa) A C S E LIST OF POSTERS

P026 Modeling Phase Change in Heat Exchanger Network Synthesis MMF Hasan* 1, IA Karimi 1, H Alfadala 2 1 : National University of Singapore | 2 : Qatar University, Qatar P027 Design of a Syngas Infrastructure PM Herder*, RM Stikkelman, GPJ Dijkema, AF Correlje (Delft University of Technology, The Netherlands) P028 Implementation of a Reactive Dividing Wall Distillation Column in a Pilot Plant R Sandoval-Vergara 1, of Barroso-Muñoz 1, H Hernandez-Escoto 1, JG Segovia-Hernandez 1, S Hernandez* 1, V Rico-Ramírez 2 1 : Universidad de Guanajuato, Mexico | 2 : Instituto Tecnológico de Celaya, Mexico P029 Systematic Design of Chemical Conversion Processes M Hillestad* (NTNU, Norway) P030 Optimization of a Bio-ethanol Purification Process Using Conceptual Design and Simulation Tools P Hoch 1, J Espinosa* 2 1 : Plapiqui-UNS-CONICET, Argentina | 2 : INGAR-CONICET, Argentina P031 Improvement of Operating Procedures through the Reconfiguration of a Plant Structure S Hoshino*, H Seki, T Sugimoto, Y Naka (Tokyo Institute of Technology, Japan) P032 Energy-Efficient Synthesis of Distillation Sequences S Jain, J Kim*, R Smith (University of Manchester, United-Kingdom) P033 Superstructure Optimization for the Optimal Design of Petroleum Refinery Topology with Environmental Considerations CS Khor* 1, A Loh 1, TA Elkamel 2, Albahri 3 1 : Universiti Teknologi Petronas, Malaysia | 2 : University of Waterloo, Canada | 3 : Kuwait University P034 Graph-theoretic Approach to Optimal Synthesis of Supply Networks: Distribution of Gasoline from a Refinery Y Kim 1, LT Fan 2, C Yun 1, SB Park 1, S Park* 1, B Bertok 3, F Friedler 3 1 : KAIST, Republic of Korea | 2 : Kansas State University, USA | 3 : University of Pannonia, Hungary P035 Addressing Robustness for Crude Oil Scheduling under Uncertainty J Li, Ia Karimi*, R Srinivasan (National University of Singapore) P036 Feasibility Study of Diethyl Carbonate Synthesis by Equilibrium Limited Consecutive Reactions in Batch Reactive Distillation T Lukacs* 1, C Steger 1, M Meyer 2, E Rev 1, Z Lelkes 1 1 : BME, Hungary | 2 : INPT-ENSIACET LGC, France P037 Optimal Design and Operation of Multivessel Batch Distillation Column with Fixed Product Demand and Strict Product Specifications 29 M Mahmud 1, I Mujtaba 1, M Emtir* 2 E

1 : University of Bradford, United-Kingdom | 2 : Libyan Petroleum Institute, Libya S C A P E 1 8 LIST OF POSTERS

P038 Interfacial and Bulk Thermal Conductivity from Dynamic Temperature Profiles on One Side of Sample Z Zeng*, T Malik (ICI Wilton Applied Research Group, United-Kingdom) P039 Enterprise-Wide Optimization under Tight Supply Contracts and Purchase Agreements F Manenti, D Manca (Politecnico di Milano, Italy) P040 Entrainer Selection for Pressure Swing Batch Distillation G Modla*, P Lang, Kopasz (Bute, Hungary) P041 Heterogeneous Kinetics and Residue Curve Map Determination for Ethyl tert-Butyl Ether Synthesis via Reactive Distillation Using Ion Exchange Resin Catalysts U Muhammad*, AR Saleemi, M Faheem, S Qaiser (University of Engineering & Technology, Pakistan) P042 Optimizing FCC Units to Get Maximum Benefits via Metamodeling Approach G Navas, A Uribe*, O Guerra, S Montagut (Instituto Colombiano del Petroleo, Colombia) P043 An Integrated Framework for Operational Scheduling of a Real-World Pipeline Network S Boschetto* 1, L Felizari 1, L Yamamoto 1, L Magatão 1, S Stebel 1, F Neves-Jr 1, L Arruda 1, R Lüders 1, P Ribas 2, L Bernardo 2 1 : Federal University of Technology, Brazil | 2 : Petrobras – CENPES, Brazil P044 An Optimization Framework of Multibed Pressure Swing Adsorption Systems D Nikolic*, M Georgiadis, E Kikkinides (University of Western Macedonia, Greece) P045 Product Portfolio Management with Discrete-Event Simulation and Genetic Algorithms JL Perez-Escobedo* 1, A Aguilar-Lasserre 2, C Azzaro-Pantel 1, L Pibouleau 1, S Domenech 1 1 : ENSIACET INPT, France | 2 : Instituto Tecnologico de Orizaba, Mexico P046 Numerical Analysis and Measurements Comparison of Flow Distribution Impact on a Plate-Fin Heat Exchanger Performance. F Picard*(1, 2), G Bergin 1, G Temoin 1, D Averous 1 1 : Nordon Cryogenie SA, France | 2 : Laboratoire de Genie Chimique - UMR 5503, France P047 Multi-Objective Design of Multipurpose Batch Facilities Using Economic Assessments TR Pinto* 1, AP Barbósa-Póvoa 2, AQ Novais 1 1 : INETI, Portugal | 2 : CEG – IST, Portugal P048 Oil Products Pipeline Scheduling with Tank Farm Inventory Management S Relvas* 1, HA Matos 2, AP Barbosa-Póvoa 1, J Fialho 3 1 : CEG – IST, Portugal | 2 : CPQ – IST, Portugal | 3 : CLC, Portugal P049 Role of Discrete Simulation in Refinery Offsites Design RR Rieubon* (TECHNIP , France) P050 Finding Batch Extractive Distillation Product Sequence from Thermodynamic Insight 30 I Rodriguez-Donis*, V Gerbaud, X Joullia (Laboratoire de Génie Chimique - UMR 5503, France)

8 P051 Methodology of Conceptual Process Synthesis for Process Intensification 1 BG Rong*, E Kolehmainen, I Turunen (Lappeenranta University of Technology, Finland) E P A C S E LIST OF POSTERS

P052 Chemical Unit Start-up: from control strategy design to operators training A Roussillon* ( Rhodia, France) P053 Process Plant Knowledge Based Simulation and Design JB Savkovic-Stevanovic* 1, SB Krstic 1, MG Milivojevic 1, MB Perunicic 2 1 : University of Belgrade, Serbia and Montenegro | 2 : University of Novi Sad, Serbia and Montenegro P054 Optimal Experimental Design of a Catalytic Fixed Bed Reactor J Schoeneberger 1, H Arellano-Garcia 1, H Thielert* 2, S Koerkel 3, G Wozny 1 1 : Berlin University of Technology, Germany | 2 : UHDE GMBH, Germany | 3 : Humboldt Universitaet, Germany P055 Integrating Laboratory Experiments with Process Simulation for Reactor Optimization J Seay* 1, H Werhan 1, M Eden 2, R D'alessandro 1, T Thomas 4, H Redlingshoefer 3, C Weckbecker 3, K Huthmacher 3 1 : Degussa Corporation, USA | 2 : Auburn University, USA | 3 : Degussa Gmbh, Germany | 4 : University of South Alabama, USA P056 Study of Arrangements for Distillation of Quaternary Mixtures Using Less than N- 1 Columns D.M Méndez-Valencia 1, M Vázquez-Ojeda 1, J.G Segovia-Hernández* 1, H Hérnández Escoto 1, A Bonilla-Petriciolet 2 1 : Universidad de Guanajuato, Mexico | 2 : Instituto Tecnológico de Aguascalientes, Mexico P057 A Hybrid Meta-heuristic Method for Logistics Optimization Associated with Production Planning Y Shimizu*, Y Yamazaki, T Wada (Toyohashi Univ. of Technology, Japan) P058 Visual Mixture Design Using Property Clustering C Solvason* 1, FT Eljack(1, 2), N Chemmangattuvalappil 1, M Eden 1 1 : Auburn University, USA | 2 : Qatar University, Qatar P059 Generalization of Feasibility Analysis and Conceptual Design Methods for Reactive Distillation to the Case of Multireaction Systems CS Steger*, R Thery, D Rouzineau, X Meyer, M Meyer (CNRS LGC, France) P060 Development Planning for Offshore Oilfield Infrastructure Under Gradual Uncertainty Resolution B Tarhan*, I Grossmann (Carnegie Mellon University, USA) P061 Model Based Scale-Up of Affinity Membrane Adsorbers P Van Beijeren* 1, P Kreis 1, M Mutter 2, S Sommerfeld 2, W Bäcker 2, A Górak 1 1 : Universität Dortmund, Germany | 2 : Bayer Technology Services, Germany P062 The Role of Financial Engineering Techniques in Supply Chain Risk Management – Emerging Opportunities V Varma 1, G Reklaitis* 2 31

1 : Air Products & Chemicals Inc, USA | 2 : Purdue University, USA E S C

P063 An Investment Planning Model for Stepwise Capacity Expansions of Chemical Plants A

A Wiesner* 1, M Schlegel 2, J Oldenburg 2, L Würth 1, R Hannemann 1, A Polt 2 P 1 : Aachen University, Germany | 2 : BASF, Germany E 1 8 LIST OF POSTERS

P064 Divided Wall Distillation Column Dynamic Modelling and Control A Woinaroschy*, R Isopescu (University Politehnica of Bucharest, Romania)

Topic 2 - On-Line Systems

P065 Process Monitoring in Chemical Industries - A Hidden Markov Model Approach G Almeida*, S Park (University of Sao Paulo, Brazil) P066 Nonlinear Dynamics and Control of the Monolithic Loop Reactor for Fischer-Tropsch Synthesis P Altimari*, CS Bildea, J Van Ommen, J Grievink (Delft University of Technology, The Netherlands) P067 Monitoring Batch Polymerization Using Cumulative Amount Changes C Alvarez* 1, A Brandolín 1, M Sánchez 1, L Puigjaner 2 1 : Plapiqui, Argentina | 2 : Universitat Politècnica de Catalunya, Spain P068 Robust (Adaptative) Dynamic Data Reconciliation and Gross Error Estimation for Unknown Error Distribution Based on the Generalized T Distribution D Aragón* 1, P.A Rolandi 2, J.A Romagnoli 1 1 : Louisiana State University, USA | 2 : Process Systems Enterprise Ltd., United-Kingdom P069 New Method for Sensor Network Design and Upgrade for Optimal Process Monitoring M Bagajewicz*, D Nguyen, S Kumar Sugumar (University of Oklahoma, USA) P070 Fault Diagnosis and Identification System Applied to a Non- invasive Biosensor of Blood Glucose M Basualdo* 1, D Zumoffen 2, A Rigalli 3 1 : UTN-FRRO, Argentina | 2 : CIFASIS-CONICET-UNR, Argentina | 3 : Facultad de CS. Médicas- CONICET- UNR, Argentina P071 Validation of an Ice Cream Factory Operations Model P Bongers*, B Bakker (Unilever R&D, The Netherlands) P072 A Functional Systems Approach To the Development of Improved Hazard Identification for Advanced Diagnostic Systems I Cameron* 1, B Seligmann 1, K Hangos 2, E Nemeth 2, R Lakner 3 1 : University of Queensland, Australia | 2 : Hungarian Academy of Sciences, Hungary | 3 : University of Pannonia, Hungary P073 A Novel Proactive-Reactive Scheduling Approach in Chemical Multiproduct Batch Plants E Capon*, G Kopanos, A Bonfill, A Espuna, L Puigjaner (Politechnic University of Cataluña, Spain) P074 Model Predictive Control of the Waste Water Treatment Plant Based on the Benchmark Simulation Model No.1 - BSM1 32 VM Cristea*, C Pop, PS Agachi (Babes-Bolyai University, Romania) 8

1 P075 Load Balancing Control System of a Furnace from Atmospheric Distillation Unit

E P Cristian*, M Sanda (Petroleum-Gas University of Ploiesti, Romania) P A C S E LIST OF POSTERS

P076 Optimal Operation of Sublimation Time of the Freeze Drying Process by Predictive Control: Application of the MPC@CB Software N Daraoui*, P Dufour, H Hammouri, A Hottot (Université Lyon 1, France) P077 Novel Parametric and Non-Parametric Approach for the Online and Real-Time Evaluation of the Variability of an Effluent (EVE) O Daniel*, MP Denieul, C Lemoine, M Coste (Veolia Environnement R&D, France) P078 Improving Steady-State Identification G Le Roux* 1, B Faccini Santoro 1, F Falla Sotelo 1, M Teissier 2, X Joulia 2 1 : Universidade de Sao Paulo, Brazil | 2 : Ecole Nationale Superieure d´Ingenieurs en Arts Chimiques et Technologiques, France P079 Dynamic Behaviour of the CSTR: A Thermodynamic Point of View A Favache* 1, D Dochain 1, B Maschke 2 1 : Université Catholique de Louvain, Belgium | 2 : Université Lyon 1, France P080 Application of Adaptive Neurofuzzy Control Using Software Sensors to Continuous Distillation J Fernandez de Canete*, P del Saz, S Gonzalez-Perez (University of Malaga, Spain) P081 Correlation-Based Just-in-Time Modeling for Soft-Sensor Design K Fujiwara*, M Kano, S Hasebe (Kyoto University, Japan) P082 Closed-Loop Control of Restart-up of Anaerobic USBF Reactors after Short Stops C García, F Molina, EF Carrasco*, JM Lema, E Roca (University of Santiago de Compostela, Spain) P083 Grey-Box Modelling of an Industrial Hydrodesulphurization Process E Gomez 1, C de Prada* 1, D Sarabia 1, C Mendez 2, S Cristea 1, JM Sola 3, E Unzueta 3 1 : University of Valladolid, Spain | 2 : INTEC, Argentina | 3 : Petronor, Spain P084 Optimal Management of Hydrogen Supply and Consumption Networks of Refinery Operations C Méndez* 2, E Gómez 1, D Sarabia 1, J Cerdá 2, C de Prada 1, J Sola 3, E Unzueta 3 1 : Universidad de Valladolid, Spain | 2 : INTEC, Argentina | 3 : Petronor, Spain P085 Output-Feedback Control of a High Temperature Homopolymerization Reactor H Hernández-Escoto*, S Hernández-Castro, JG Segovia-Hernández (Universidad de Guanajuato, Mexico) P086 Multi-Agent Control System of a Kraft Recovery Boiler I Herrera*, S Park (University of São Paulo, Brazil) P087 A Heuristic for the Short-Term Planning of Multi-Purpose Continuous Plants S Herrmann*, C Schwindt (Clausthal University of Technology, Germany) P088 Diagnosis of Chemical Processes by Fuzzy Clustering Methods: New Optimisation Method 33

of Fuzzy Partitions E S

C Isaza, MV Le Lann*, J Aguilar-Martin (University of Toulouse, France) C A P E 1 8 LIST OF POSTERS

P089 Near-Optimal Operation of an Evaporator using Self-Optimizing Control V Kariwala 1, Y Cao* 2 1 : Nanyang Technological University, Singapore | 2 : Cranfield University, United-Kingdom P090 Comparison of Features in Classifying Steel Surface Quality D Kim* 1, JJ Liu 2, C Han 1 1 : Seoul National University, Republic of Korea | 2 : Samsung Electronics Asan, Republic of Korea P091 Data Reconciliation for Industrial Processes L Krishnan-Dumitrescu*, W El Osta, C Laigneau (TECHNIP, France) P092 Integrating Strategic, Tactical and Operational Supply Chain decision levels in a Model Predictive Control Framework JM Lainez*, GM Kopanos, M Badell, A Espuña, L Puigjaner (Universitat Politècnica de Catalunya, Spain) P093 Optimization and Control for Real Time Integration of the Biotechnological Process of Acrylic Acid Synthesis: A Two-Layer Approach Using Model Predictive Control Application B.H Lunelli 1, D.N Melo 1, E.C Vasco de Toledo 2, MR Wolf Maciel 1, R. Maciel Filho* 1 1 : State University of Campinas, Brazil | 2 : Petrobras SA, Paulínia Refinery, Brazil P094 Hybrid Strategy for Real Time Optimization with Feasibility Driven for a Large Scale Three Phase Catalytic Slurry Reactor DNC Melo 1, A.P Mariano 1, E.C Vasco de Toledo 2, C.B Costa 1, R. Maciel Filho* 1 1 : State University of Campinas (Unicamp), Brazil | 2 : Petrobras SA, Paulínia Refinery, Brazil P095 Diagnosis of Hybrid Systems Coupling Classification Method and Dynamic Hybrid Simulation A Mokhtari, MVLe Lann*, G Hétreux, JM Le Lann (University of Toulouse, France) P096 Determination of Apparent Kinetic Parameters by Simulation of Anaerobic Digestion Processes Using Pulse OLR Disturbances F Molina, C García, EF Carrasco*, E Roca, JM Lema (University of Santiago de Compostela, Spain) P097 Improving the Representation of Process Information in Multi-Label Fault Diagnosis Systems I Monroy*, G Escudero, M Graells (Universitat Politècnica de Catalunya, Spain) P098 Adaptive Control of Simultaneous Saccharification - Fermentation Process from Starch to Ethanol (SSFSE) S Ochoa* 1, V Lyubenova 2, J-U Repke 1, M Ignatova 2, G Wozny 1 1 : Technical University of Berlin, Germany | 2 : Bulgarian Academy of Sciences, Bulgaria P099 Advanced Control Monitoring in Petrobras’ Refineries:Quantifying Economic Gains in a Real-Time Basis R Pinotti*, AC Zanin, LFL Moro (Petrobras, Brazil)

34 P100 Comparative Analysis of Robust Estimators on Nonlinear Dynamic Data Reconciliation DM Prata, JC Pinto, EL Lima* (Universidade Federal do Rio de Janeiro, Brazil) 8

1 P101 Model-Based Monitoring of a Non-Uniform Batch in a Freeze-Drying Process

E V Rasetto*, D Marchisio, D Fissore, A Barresi (Politecnico di Torino, Italy) P A C S E LIST OF POSTERS

P102 State Estimation for Dynamic Prediction of Hydrate Formation in Oil and Gas Production Systems J Rodriguez*, CS Adjiman, CD Immanuel (Imperial College London, United-Kingdom) P103 RCS for Process Control: Is There Anything New Under the Sun? M Rodriguez*, R Sanz (ASLAB-UPM, Spain) P104 A Real-Time Optimisation Engine for Nonlinear Model-Based Optimising Control of Large- Scale Systems P Rolandi* 1, J Romagnoli 2 1 : Process Systems Enterprise Ltd, United-Kingdom | 2 : Louisiana State University,, USA P105 Data Treatment and Analisys for On-Line Dynamic Process Optimization NPG Salau*, G Tonel, JO Trierweiler, AR Secchi (Federal University of Rio Grande do Sul, Brazil) P106 On-Line System Identification and Control with the Extended Kalman Filter R Scheffer* 1, R Maciel 2 1 : Huntsman, Belgium | 2 : UNICAMP, Brazil P107 Process Real-Time Optimization using Evolutionary Improvement Algorithm K Seunghyok*, C Seungjune, Y En Sup (Seoul National University, Republic of Korea) P108 Fault Isolation and Fault Intensity Estimation based on SDG, SVM and PCA BS Shin 1, G Lee* 2, CJ Lee 1, C Han 1, ES Yoon 1 1 : Seoul National University, Republic of Korea | 2 : Chungju National University, Republic of Korea P109 Nonlinear Model Predictive Control of a Swelling Constrained Industrial Batch Reactor L Simon* 1, Z Nagy 2, K Hungerbuehler 1 1 : ETH Zurich, Switzerland | 2 : Loughborough University, United-Kingdom P110 An adapted SLAB Model Using Sensor Data for the Prediction on the Dispersion of Hazardous Gas Releases W So* 1, D Shin 2, Es Yoon 1 1 : Seoul National University, Republic of Korea | 2 : Myongji University, Republic of Korea P111 Real-Time Optimization for Large Scale Processes: Control of an Autorefrigerated CSTR Polymerization Reactor E.C Vasco de Toledo 1, DNC Melo 2, A.P Mariano 2, R. Maciel Filho* 2 1 : Petrobras SA, Paulínia Refinery, Brazil | 2 : State University of Campinas, Brazil P112 Nonlinear Identification and Model Based Control of An Oil Well Drilling Process M Vega* 1, C Sheid 1, L Calçada 1, M Mancini 1, A Martins 2 1 : Universidade Federal Rural do Rio de Janeiro, Brazil | 2 : CENPES/Petrobras, Brazil P113 Hybrid Fault Diagnosis for Large Chemical Plants Under Control 1 2 D Zumoffen , M Basualdo* 35 1 : CIFASIS-CONICET-UNR, Argentina | 2 : UTN-FRRO, Argentina E S C A P E 1 8 LIST OF POSTERS

Topic 3 - Computational & Numerical Solutions Strategies

P114 Robust and Efficient Implementation of Strategies for Chemical Engineering Regression Problems V. Alvarez*, R. Maduro, M. Aznar (State University of Campinas, Brazil) P115 Identifiability Analysis and Optimization-Based State and Parameter Estimation in Bioreactor H Arellano-Garcia*, G Wozny (Berlin University of Technology, Germany) P116 Process Simulation & Optimization Sequential modular approach or global approach? and why not both? P Baudet*, P Castelain, O Baudouin (Prosim SA, France) P117 Simulis® Thermodynamics: an open framework for users and developers O Baudouin*, S Dechelotte, P Guittard, A Vacher (Prosim SA, France) P118 New Approach for Chemical Transfer Reaction Model Z Benjelloun-Dabaghi*, R Cadours, S Cauvin-Delaide, P Mougin ( IFP, France) P119 Global Optimization of an Aggregated GDP Model for Distillation Sequences M Bergamini 1, P Aguirre* 2 1 : LPC - FI - UBA – CONICET, Argentina | 2 : INGAR – CONICET, Argentina P120 Modeling and Simulation of the Particle Size Distribution for Emulsion Polymerization in a Tubular Reactor A Bouaswaig*, W Mauntz, S Engell (Universität Dortmund, Germany) P121 Bidirectional Branch and Bound Approach for Controlled Variable Selection Y Cao* 1, V Kariwala 2 1 : Cranfield University, United-Kingdom | 2 : Nanyang Technological University, Singapore P122 Biofiltration of VOCS in the Natural Bed- Modelling Verification K Chmiel-Kurowska*, M Palica, L Kurowski, J Thullie (Silesian University of Technology, Poland) P123 Composite Zeolite Membranes Characterization by Using a Transient State Experimental Technique and a Parameter Estimation Procedure L Courthial 1, A Baudot 1, M Tayakout-Fayolle 1, C Jallut* 2 1 : IFP-Lyon, France | 2 : Université Lyon 1, France P124 Modified Outer Approximation Algorithm for Optimizing Complex Distillation Rpocesses B Czuczai*, T Farkas, E Rév, Z Lelkes (Budapest University of Technology and Economics, Hungary) P125 MPC@CB Software : A Solution for Model Predictive Control B Da Silva*, P Dufour, N Sheiba Othman, S Othman (University Lyon 1, France) 36 P126 Reduction of Computational Load Associated with the Integration of Dae Systems SC de Graaf* 1, P Kittilsen 1, HA Preisig 2 8

1 1 : Cybernetica As, Norway | 2 : Norwegian University of Science and Technology, Norway E P A C S E LIST OF POSTERS

P127 An Initialization Procedure for Steady-State Models. Example: Distillation Column I Dones*, H Preisig (NTNU, Norway) P128 Parallel Simulation of Molten Carbonate Fuel Cells M Dosta* 1, M Mangold 1, A Kienle 2, V Svjatnyj 3 1 : Max Planck Institute for Dynamics of Complex Technical Systems, Germany | 2 : Otto-Von-Guericke- University, Germany | 3 : National Technical University of Donetsk, Ukrainia P129 Detection of Multiple Structural Changes in Linear Processes Through Change Point Analysis and Bootstrapping B Duarte* 1, P Saraiva 2 1 : Instituto Superior de Engenharia de Coimbra, Portugal | 2 : University of Coimbra, Portugal P130 Improvement of the Computational Performance of STN/RTN Formulations for Short-Term Scheduling of Multipurpose Batch Plants GA Durand, JA Bandoni* (Plapiqui (UNS) – CONICET, Argentina) P131 Development of Mechanistic Models for UASB and UAF Pulsed Anaerobic Digesters A Franco, C García, EF Carrasco*, E Roca (University of Santiago de Compostela, Spain) P132 Modeling of Anaerobic Bioreactors Oriented to Optimization. Solutions for IPDAE Systems M Fuentes Mora*, MC Mussati, NJ Scenna, PA Aguirre (Ingar Instituto de Desarrollo Y Diseño - CONICET-UTN, Argentina) P133 Applications of Grey Programming to Process Design E Galvez 1, E Galvez 3, L Cisternas*(2, 3), PS Patino 2, KL Ossandon 2 1 : Universidad Católica del Norte, Chile | 2 : Universidad de Antofagasta, Chile | 3 : Centro de Investigación Científica y Tecnológica para la Minería, Chile P134 Algorithmic Methods for the Optimal Lumping of Analytical Data for Compositional Studies M Georgiadis* 1, L Papageorgiou 2 1 : University of Western Macedonia, Greece | 2 : University College London, United-Kingdom P135 Tearing for Parallelization and Control of Sparsity in Process Flowsheeting P Greppi* (Genova Università Degli Studi, Italy) P136 Flexible and Configurable MILP-Models for Meltshop Scheduling Optimization I Harjunkoski*, G Sand (ABB Corporate Research, Germany) P137 Novel Convex Underestimators and their Application to the Synthesis of Combined Reaction Distillation Processes M Jach 1, A Kienle* 2, D Michaels 1, R Weismantel 1 1 : Otto-Von-Guericke-Universität, Germany | 2 : Max-Planck-Institut für Dynamik Komplexer Technischer Systeme, Germany 37 P138 Multiobjective Optimization of a Liquid-Feed Direct Methanol Fuel Cell E

I Jeong*, J Kim, J Kim, I Moon (Yonsei University, Republic of Korea) S C

P139 Functional Data Analysis for the Development of a Calibration Model for Near-infrared Data A P

C Jiang*, E Martin (Newcastle University, United-Kingdom) E 1 8 LIST OF POSTERS

P140 Optimization of Ideal Petlyuk Sequences Using a Multi Objective Genetic Algorithm with Constraints A Jiménez-Gutiérrez 1, C Gutiérrez-Antonio* 1, A Briones-Ramírez 2 1 : Instituto Tecnológico de Celaya, Mexico | 2 : Innovación Integral de Sistemas S.A. de C.V., Mexico P141 Apllication of Global Sensitivity Analysis to Biological Models A Kiparissides*, M Rodriguez-Fernandez, S Kucherenko, A Mantalaris, E.N Pistikopoulos (Imperial College London, United-Kingdom) P142 Development of a Sophisticated Framework for Complex Single- and Multi-Objective Optimization Tasks M Leipold* 1, S Gruetzmann 1, G Fieg 1, D Maschmeyer 2, J Sauer 3, H Wiederhold 3 1 : Hamburg University of Technolgy, Germany | 2 : Oxeno Gmbh, Germany | 3 : Degussa Gmbh, Germany P143 Towards Resilient Supply Chains: Uncertainty Analysis Using Fuzzy Mathematical Programming K Mitra 1, R Gudi* 2, S Patwardhan 2, G Sardar 1 1 : Tata Consultancy Services Limited, India | 2 : Indian Institute of Technology, India P144 Product Data Quality in the Vaccine Industry, Model-Driven Architecture for Interoperability Between Information Systems N Moalla*(1, 2), A Bouras 1, Y Ouzrout 1, G Neubert 1 1 : LIESP Laboratory, France | 2 : Sanofi Pasteur, France P145 IBM Global Engineering Solutions delivers collaborative innovation for competitive advantage O Multon*, L Nouzarede (IBM, France) P146 Modelling of Optimal Investment Policies for the Multiperiod Retrofitting of Chemical Plants Z Novak Pintaric*, Z Kravanja (University of Maribor, Slovenia) P147 Modelling and Identification of the Bio-Ethanol Production Process from Starch: Cybernetic vs Unstructured Modelling Approaches. S Ochoa* 1, A Yoo 2, J-U Repke 1, G Wozny 1, D.R Yang 2 1 : Technical University of Berlin, Germany | 2 : University of Korea, Republic of Korea P148 Multi-Objective Optimization of Polygeneration Systems Integrated in District Heating and Cooling Networks J Ortiga*, JC Bruno, A Coronas (Universitat Rovira I Virgili, Spain) P149 New Method of Stochastic Optimization on Example of Cyclic Reactor of Thin Organic Synthesis D Dvoretsky* 1, S Dvoretsky 1, E Peshkova 1, G Ostrovsky 2 1 : Tambov State Technical University, Russia | 2 : Karpov Institute of Physical Chemistry, Russia 38 P150 Upstream Simulation Lifecycle D Paen* 1, P Roux 2, A Ricordeau 3, A Vacher 4, M Gainville 2 8

1 1 : RSI, France | 2 : IFP, France | 3 : Total, France | 4 : PROSIM, France E P A C S E LIST OF POSTERS

P151 Calculation of Critical Points in Reactive Mixtures Using a Global Optimization Approach F Sánchez-Mares 1, A Bonilla-Petriciolet* 1, JG Segovia-Hernández 2, JC Tapia-Picazo 1, A Ponsich 3 1 : Instituto Tecnológico de Aguascalientes, Mexico | 2 : Universidad de Guanajuato, Mexico | 3 : Instituto Tecnológico Autónomo de Mexico P152 Particle Swarm Optimisation in Heat Exchanger Network Synthesis Including Detailed Equipment Design A Silva 1, M Ravagnani 1, E Biscaia Jr.* 2 1 : Universidade Estadual de Maringá, Brazil | 2 : PEQ/COPPE/UFRJ, Brazil P153 A Priori Regression Analysis for the Calibration of Complex Dynamic Models: Application to a Model of Antibiotic Production with S. Coelicolor G Sin*, K Gernaey ( Technical University of Denmark) P154 MILP-based Heuristic for the Optimal Design of Water Networks J Teles*, P Castro, A Novais (DMS/INETI, Portugal) P155 Comprehensive Evaluation of EKF, CEKF, and Moving Horizon Estimators for On-Line Processes Applications G Tonel, NP Salau*, JO Trierweiler, AR Secchi (Federal University of Rio Grande do Sul, Brazil) P156 A Single Stage Approach for Designing Water Network with Multiple Contaminants K Walczyk, J Jezowski* (Rzeszow University of Technology, Poland) P157 Modeling Piecewise Under- and Overestimators for Bilinear Process Network Synthesis via Mixed-integer Linear Programming DS Wicaksono*, IA Karimi (National University of Singapore)

Topic 4 - Integrated and Multiscale Modelling and Simulation

P158 Dynamic Modelling of a Rotating Disk Contactor Using the Primary and Secondary Particle Method (PSPM) M Attarakih* 1, M Jaradat 2, H Allaboun 2, HJ Bart 3, N Faqir 4 1 : Al-Balqa Applied University, Jordan | 2 : Jordan University of Science, Jordan | 3 : University of Kaiserslautern, Germany | 4 : University of Jordan P159 Computational Fluid Dynamics : A tool to the formulation of therapeutic aerosols N Bardin-Monnier*, V Falk, L Marchal-Heussler (LSGC - UPR CNRS 6811, France) P160 Heat Exchanger Network (HEN) costs and performances estimation for multi-period operation R Bolliger, F Palazzi, F Marechal* (Ecole Polytechnique Fédérale de Lausanne, Switzerland) 39 P161 A Study of Water Transport Phenomena in a Polymer Electrolyte Membrane Fuel Cell with E

2D Steady-State Model S C

H Chung*, T Ha, S Cho, C Han (School of Chemical and Biological Engineering, Republic of Korea) A P E 1 8 LIST OF POSTERS

P162 A Stochastic Programming Approach for Clinical Trials Planning M Colvin, C Maravelias* (University of Wisconsin, USA) P163 Modelling of Precipitation in Turbulent Flow via the Joint Species-Number Density PDF Method GY di Veroli*, S Rigopoulos (University of Manchester, United-Kingdom) P164 Large Eddy Simulation of Particle Dispersion in a Straight, Square Duct Flow M Fairweather*, J Yao (University of Leeds, United-Kingdom) P165 Test Bench Dimensioned by Specific Numerical Tool N Gascoin* 1, P Gillard 1, G Abraham 1, M Bouchez 2 1 : LEES, France | 2 : MBDA-France P166 Optimization of SOFC Interconnect Design Using Multiphysic Computation D Grondin* 1, J Deseure 1, M Zahid 2, M Jose Garcia 2, Y Bultel 1 1 : LEPMI, France | 2 : European Institute for Energy Research, Germany P167 Multi-objective Scheduling for Environmentally-friendly Batch Operations I Halim* 1, R Srinivasan 2 1 : Institute of Chemical and Engineering Sciences, Singapore | 2 : National University of Singapore P168 Operability Analysis and Conception of Microreactorby Integration of Reverse Engineering and Rapid Manufacturing AL Jardini*, MC Costa, AR Bineli, AF Romão, R Maciel Filho (UNICAMP, Brazil) P169 Use of a Heterogeneous Model for Hydrodynamic Simulation ff Foam Monoliths J Jerez, L Duarte, I Ordóñez, R Martínez* (Universidad Industrial de Santander, Colombia) P170 Modelling of Integrated Multiscale Process with Microdevices RV Tona Vásquez, L Jiménez Esteller* (University Rovira I Virgili, Spain) P171 Modeling of Honeycomb Monoliths by a Two-Dimensional and Multi-Channel Strategy J Jiménez, F Silva, I Ordóñez, R Martínez* (Universidad Industrial de Santander, Colombia) P172 Multi-Scale Framework for Steam-Methane Reforming Reaction with in-Situ Adsorption A Kapil, S Bhat, J Sadhukhan, (Univ of Manchester, United-Kingdom) P173 Optimisation with Energy Recovery for Oxidative Desulphurization of Heavy Gas Oil H Khalfalla 1, I Mujtaba* 1, M Elgarni 2, H Elakrami 3 1 : University of Bradford, United-Kingdom | 2 : Libyan Petroleum Institute, Libya | 3 : Al-Fateh University, Libya P174 Numerical Determination of Heat Transfer Coefficient for Nanofluids in Microchannels L Kurowski*, J Thullie, K Chmiel-Kurowska, G Dzido (Silesian University of Technology, Poland) P175 Ion-Specific Potential of Mean Force Between Two Aqueous Proteins 40 ERA Lima, FW Tavares, EC Biscaia Jr.* ( UFRJ, Brazil) P176 A Heteronuclear Group Contribution Method for Associating Chain Molecules (SAFT- 8

1 Gamma)

E A Lymperiadis*, C.S Adjiman, A Galindo, G Jackson (Imperial College London, United-Kingdom) P A C S E LIST OF POSTERS

P177 Morphological Population Balance for Modelling Shape Evolution of Crystals Grown From Solution C Ma, X Wang*, KJ Roberts (University of Leeds, United-Kingdom) P178 An Analytical–Numerical Method for Solving a Heap Leaching Problem of One or More Solid Reactants from Porous Pellets M Mellado, L Cisternas* (CICITEM, Chile) P179 Modeling of Polyvinyl Acetate Polymerization Process for Control Purposes T Miteva* 1, R Alvarez 2, N Hvala 1, D Kukanja 3 1 : Jozef Stefan Institute, Slovenia | 2 : UPC, Spain | 3 : Mitol, Slovenia P180 Image Based Characterization and Molecular Modeling of Line-Edge Roughness on Positive Resist R Mukherjee 1, A Palazoglu 2, J Romagnoli* 1 1 : Louisiana State Univeristy, USA | 2 : Davis Chemical Engineering & Materials Science, USA P181 Thermodynamic Analysis and Properties Modeling of Thermochemical Processes for Massive Hydrogen Production J O’connell* 1, J Murphy 1, M Gorensek 2, M Theis 3 1 : University of Virginia, USA | 2 : Savannah River National Laboratory, USA | 3 : Clemson University, USA P182 Thermochemical Multi-Phase Models Applying the Constrained Gibbs Energy Method R Pajarre*, P Blomberg, P Koukkari (VTT, Finland) P183 Industrial Applications of the Multi-Phase Thermochemical Simulation R Pajarre*, P Koukkari, K Penttilä (VTT, Finland) P184 Reactor Modeling for the Shenhua Direct Coal Liquefaction Project F Parmentier* 1, D de Gruyl 2 1 : RSI, France | 2 : Axens North America, USA P185 Prediction of the Melting Point Temperature Using a Linear QSPR for Homologous Series I Paster 1, M Shacham* 1, N Brauner 2 1 : Ben-Gurion University of the Negev, Israel | 2 : Tel-Aviv University, Israel P186 A General Mathematical Model for a Moving Bed Gasifier S Pierucci*, E Ranzi (CMIC Politecnico di Milano, Italy) P187 Modelling of an Hybrid Wastewater Treatment Plant MN Pons* 1, M Lourenco Da Silva 1, O Potier 1, E Arnos 2, P Battaglia 2 1 : Nancy-University, France | 2 : GEMCEA, France P188 Numerical Approach for the Enzymatic Elimination of Phenol in a Torus Reactor L Pramparo* 1, J Pruvost 2, F Stüber 1, J Font 1, A Fortuny 3, A Fabregat 1, P Legentilhomme 2, J Legrand 2, 1 C Bengoa 41 1 : University Rovira I Virgili, Spain | 2 : University Politècnica de Catalunya Vilanova I, Spain | 3 : Université de E

Nantes, France S C

P189 Three Principle Model Reductions Based on Time-Scale Considerations A P

HA Preisig* (Norwegian University of Science and Technology, Norway) E 1 8 LIST OF POSTERS

P190 LNG Life Cycle Modelling R Coupier 1, F Rey* 2 1 : RSI, France | 2 : TECHNIP , France P191 Modelling Solids Transport in an Industrial Flighted Rotary Dryer M Sheehan*, O Ajayi, A Lee (James Cook University, Australia) P192 Excipient Design for Protein Drug Formulation via Molecular Simulation and Computational Molecular Design S Shulda*, J Ashley, Y Li, E Topp, K Camarda (University of Kansas, USA) P193 Dimension Reduction of Two-Dimensional Population Balances Based on the Quadrature Method of Moments A Voigt* 1, W Heineken 2, D Flockerzi 2, K Sundmacher 1 1 : Ovg-University Magdeburg, Germany | 2 : Max-Planck-Institute for Dynamics of Complex Technical Systems, Germany P194 Predictions of the Consequences of Natural Gas-Hydrogen Explosions Using a Novel CFD Approach RM Woolley 1, M Fairweather* 1, SAE Falle 1, JR Giddings 2 1 : University of Leeds, United-Kingdom| 2 : Mantis Numerics Ltd., United-Kingdom P195 Three Dimensional Multiphase Computations for the Characterizing the Counter-Current Flow Behavior Y Xu* 1, S Yuan 2, Ju Paschke 1, G Repke 1, J Wozny 1 1 : Technical University Berlin, Germany | 2 : Shanghai Jiao Tong University, China

Topic 5 - CAPE for the users!

P196 CAPE Methods and Tools for Systematic Analysis of New Chemical Product Design and Development R Alvarado-Morales*, N Al-Haque, KV Gernaey, JM Woodley, R Gani (Technical University of Denmark) P197 A Graphical Approach for Hazard Identification R Batres* 1, T Suzuki 1, Y Shimada 2, T Tetsuo 3 1 : Toyohashi University of Technology, Japan | 2 : National Institute of Occupational Safety and Health, Japan | 3 : Tokyo Institute of Technology, Japan P198 Multi-agent Service Composition for Technology Selection R Batres*, H Takashima, S Yoshiaki (Toyohashi University of Technology, Japan) P199 Introduction of CAPE into an Active Pharmaceuticals Ingredients Company 42 M. Ben Tolila, R. Novoa*, M. Hasson, E. Manoff (Chemagis A Subsidiary of Perrigo, Israel)

8 P200 Formal Modeling of a Project-Oriented Fractal Company for Process Development in the 1

E Pharmaceutical Sector

P M Canavesio, E Martínez* (UTN, Argentina) A C S E LIST OF POSTERS

P201 A VR System to Enable the Capture and Verification of Operating Instructions C Palmer 1, W Liu 2, PWH Chung* 1 1 : Loughborough University, United-Kingdom | 2 : Beijing University of Petroleum, China P202 Development of a CAPE-Open Simulation Componentfor a GAMS-modeled Process Unit A Domancich*, V Perez, P Hoch, N Brignole (UNS, Argentina) P203 Integrated Decision Support Tool for Pharmaceutical Product Development A Jain* 1, P Kumar 2, G Joglekar 2, L Hailemariam 2, P Suresh 2, C Zhao 2, K Morris 2, G Reklaitis 2, V Venkatasubramanian 2 1 : United Airlines, USA | 2 : Purdue University, USA P204 Problems Mapping with Social Networks. Example of Ceramic Membranes A Kraslawski*, M Mänttäri, A Fiola (Lappeenranta Univ. of Technology, Finland) P205 Hazop Support System and its Use for Operation K Kwamura* 1, Y Naka 2, T Fuchino 3, A Aoyama 4, N Takagi 5 1 : Techno Management Solutions Ltd., Japan | 2 : Tokyo Inst of Tech., Japan | 3 : Tokyo Inst of Tech., Japan | 4 : Ritsumei Univ., Japan | 5 : Systems Safety Consulting Ltd., Japan P206 Acceleration f the Retrieval of Past Exepriences in Case Based Reasoning: Application for Preliminary Design in Chemical Engineering S Negny*, JM Le Lann (INPT-ENSIACET-LGC, France) P207 Visual Exploration of Multi-State Process Operations Using Self-Organizing Maps YS Ng 1, R Srinivasan* 2 (National University of Singapore) P208 Ontological Framework for the Implementation of Waste Minimisation Methodologies into Process Industries A Reyes-Cordoba*, P Sharratt, J Arizmendi-Sanchez (University of Manchester, United-Kingdom) P209 Multi-Criteria Decision Making in Product-driven Process Synthesis K Ridder 1, C Almeida-Rivera* 2, P Bongers 2, S Bruin 1, SD Flapper 1 1 : Eindhoven University of Technology, The Netherlands | 2 : Unilever Food and Health Research Institute, The Netherlands P210 Towards an Interface Standard for Automated Design: a Proposal I Stalker* 1, E Fraga 2 1 : University of Manchester, United-Kingdom | 2 : University College London, United-Kingdom P211 Improvement of the Production Process of Leached Optical Fibers in a Technological and Organizational Context D Stekelenburg 1, Z Lukszo* 1, J Lowe 2 1 : Delft University of Technology, The Netherlands | 2 : Schott North America Inc., USA

P212 Quality Assurance of Simulation Results 43 L Testard* (Halias, France) E S C A P E 1 8 LIST OF POSTERS

P213 Decision Tree Based Qualitative Analysis of Operating Regimes in Industrial Production Process T Varga* 1, F Szeifert 1, J Réti 2, J Abonyi 1 1 : University of Pannonia, Hungary | 2 : Borsodchem Ltd., Hungary P214 Management and Reuse of Mathematical Models in Chemical Industries with MOVE L Von Wedel* (Aixcape, Germany) P215 Mobatec ModellerA flexible and transparent tool for building dynamic process models. M Westerweele*, J Laurens (Mobatec, The Netherlands)

Topic 6 - CAPE and Society

P216 Collaboration Among Companies or Better Energy Management MH Agha*, R Thery, G Hetreux, A Hait, JM Le Lann (INPT - ENSIACET – LGC, France) P217 Process Dynamic and Industrial Accident Simulators: Coupling two Different Worlds into an Integrated Platform S Brambilla*, F Manenti, D Manca (Politecnico di Milano., Italy) P218 Optimization of Synthesis Gas Production Plant Using Recycled Carbon Dioxide S Choi*, S Kim, C Han, ES Yoon (Seoul National University, Republic of Korea) P219 Mathematical Modeling of Limestone Dissolution in Batch Stirred Tank Reactors in Presence of Diluted Strong Acid C de Blasio*, J Ahlbeck, F Bjondahl ( Åbo Akademi University., Finland) P220 Biodiesel Production from Vegetable Oils: Operational Strategies for Large Scale Systems N de Lima Da Silva, E.C Rivera, C Benedito Batistella, D.R Lima, R Maciel Filho*, M.R Wolf Maciel (State University of Campinas, Brazil ) P221 Simulation of Process Related Safety Limit of Alkoxylation Reactors S Degenkolbe*, M Süßmuth, W Witt (Brandenburgische Technische Universität, Germany) P222 Anhydrous Bioethanol for Fuels and Chemicals – Evaluations of Alternative Distillations and Solvents MOS Dias, FAD Mateus, R Maciel Filho*, MR Wolf Maciel, CEV Rossell (State University of Campinas, Brazil) P223 Evaluation of Energy Demand during Bioethanol Production from Sugarcane and Sugarcane Bagasse - Computer Based Scenario Approach MOS Dias, R Maciel Filho*, MR Wolf Maciel, CEV Rossell (State University of Campinas, Brazil) 44 P224 An Optimization Model for the Design of Closed Loop Supply Chains with Minimum Environmental Impacts

8 1 3 2 1

1 A Diniz Cunha* , MI Gomes Salema , AP Barbosa Póvoa , A Q. Novais

E 1 : DMS, INETI, Portugal | 2 : CEG-IST, Portugal | 3 : CMA, FCT, Portugal P A C S E LIST OF POSTERS

P225 Minimization of Life Cycle Greenhouse Emissions and Cost in the Operation of Steam and Power Plants P Martinez, AM Eliceche* (Universidad Nacional del Sur, Argentina) P226 Developing a Lake Eutrophication Model and Determining Biogeochemical Parameters: A Large Scale Parameter Estimation Problem V Estrada, E Parodi, S Diaz* (Universidad Nacional del Sur, Argentina) P227 Structural Optimisation of Sustainable Chemical Process Flowsheets under Uncertainty G Guillén-Gosálbez* 1, JA Caballero 2, L Jiménez Esteller 1 1 : Universidad Rovira I Virgili, Spain | 2 : University of Alicante, Spain P228 A New Model for Phase Equilibria of the Ternary System (H2O – HI – I2) MK Hadj-Kali* 1, V Gerbaud 1, JM Borgard 2, P Floquet 1, X Joulia 1, P Carles 2 1 : LGC - CNRS - ENSIACET – INPT, France | 2 : CEA, France P229 Computer Aided Design of Occupationally Healthier Processes M Hassim, M Hurme* (Helsinki University of Technology, Finland) P230 Energy Management in a Stand-Alone Power System for the Production of Electrical Energy with Long Term Hydrogen Storage D Ipsakis* 1, D Ipsakis 2, S Voutetakis 1, P Seferlis 1, P Seferlis 3, F Stergiopoulos 1, S Papadopoulou 4, C Elmasides 5, C Keivanidis 5 1 : C.P.E.R.I., Greece | 2 : Aristotle University of Thessaloniki, Greece | 3 : Aristotle University of Thessaloniki, Greece | 4 : Alexander Technological Educational Institute of Thessaloniki, Greece | 5 : Systems Sunlight SA, Greece P231 Mapping Environmental Issues Within Supply Chains: an LCA Based Approach JM Lainez*, AD Bojarski, A Espuña, L Puigjaner (Universitat Politècnica de Catalunya, Spain) P232 Exergy Analysis of Biological Hydrogen Production A Modarresi, W Wukovits*, A Friedl (Vienna University of Technology, Austria) P233 Sensitivity Analysis of a Model for Atmospheric Dispersion of Toxic Gases N Pandya* 1, E Marsden 1, P Floquet 2, N Gabas 2 1 : ICSI, France | 2 : ENSIACET, France P234 A Generic Framework for Modeling, Design and Optimization of Industrial Phosphoric Acid Production Processes A Papadopoulos* 1, K Seferlis 2 1 : Chemical Process Engineering Research Institute, Greece | 2 : Aristotle University of Thessaloniki, Greece P235 Sensitivity Analysis of the Benchmark Simulation Model N° 1 MN Pons* 1, U Jeppsson 2, X Flores Alsina 3, L Benedetti 4, M Lourenco Da Silva 1, I Nopens 4, J Alex 5, J Copp 6, K Gernaey 7, C Rosen 8, JP Steyer 9, P Vanrolleghem 10 1 : Nancy-University, France | 2 : Lund University, Sweden | 3 : University of Girona, Spain | 4 : Ghent 45

University, Belgium | 5 : IFAK E.V., Germany | 6 : Primodal Inc., Canada | 7 : DTU, Denmark | 8 : Veolia Water, E S

Sweden | 9 : LBE-INRA, France | 10 : Univ. of Laval, Canada C A

P236 Fundamental Aspects to Improve Risk Potential Assessment of Chemical Process Industry P N Ramzan*, W Witt (Brandenburgische Technische Universität, Germany) E 1 8 LIST OF POSTERS

P237 Fisher Information: A Generalized Sustainability Index? V Rico-Ramirez* 1, PA Quintana-Hernandez 1, JA Ortiz-Cruz 1, S Hernandez-Castro 2 1 : Instituto Tecnologico de Celaya, Mexico | 2 : Universidad de Guanajuato, Mexico P238 Simulation of PEMFC Super Capacitor Hybrid System S Sailler*(1, 2), F Druart 1, D Riu 2, P Ozil 1 1 : LEPMI, France | 2 : G2ELAB, France P239 Modeling and Optimizaion of the Steam Consumption in the Specialty Chemicals Industry A Szijjarto*, C Rerat, S Papadokonstantakis, K Hungerbuehler (ETH, Switzerland) P240 Reduction of Polluting Effluents in a Polymerization Process using Simultaneous Mass and Heat Integration JC Tapia-Picazo* 1, A Jiménez 2, A Bonilla-Petriciolet 1, JG Segovia-Hernández 3 1 : Instituto Tecnológico de Aguascalientes, Mexico | 2 : Instituto Tecnológico de Celaya, Mexico | 3 : Universidad de Guanajuato, Mexico P241 Is Reactive Distillation a Sustainable PI Solution? M Van Der Heijden, J Grievink* (Delft University of Technology, The Netherlands) P242 Towards Improved Cleaning of FMCG Plants: a Model-based Approach A Yang* 1, EB Martin 1, GA Montague 1, P Fryer 2 1 : Newcastle University, United-Kingdom | 2 : Birmingham University, United-Kingdom P243 About Energy Efficiency Improvement of Auto-thermal Thermophilic Aerobic Digestion Processes T Zhelev* 1, N Vaklieva 2, D Jamniczky-Kaszás 1 1 : Univetrsity of Limerick, Ireland | 2 : Institute of Chemical Engineering, Bulgaria

Topic 7 - CAPE in Education

P244 Teaching Mono and Multi-objective Genetic Algorithms in Process Systems Engineering : an illustration with the MULTIGEN environment A Gomez*, C Azzaro-Pantel, L Pibouleau, S Domenech (ENSIACET INPT, France) P245 Operator Training Simulator Development for Ethylene Plant Tertiary Refrigeration System HH Hashim* 1, LW Chong 1, AH M Jelani 2 1 : Petronas Group Technology Solutions, Malaysia | 2 : Ethylene Malaysia SDN BHD, Malaysia P246 Virtual and Remote Laboratory for Robotics E-Learning C Jara*, F Candelas, F Torres (Universidad de Alicante, Spain)

46 P247 Virtual Reality Operator Education of a Hydrogen Fueling Station J Kim*, E Kim, Y Lee, I Moon (Yonsei University, Republic of Korea) 8 1 E P A C S E 7 4 ESCAPE 18 N A L P OR OL F 6 1 4 5 2 3 ) S IA MMS ( OR T r ec t a e i m i S IBI n o g a M o v e s H PSE IB b o M r a P r P l E X • • • • • E • LIST OF HOTELS

4 Stars Hotel 2 Stars Hotels • Hôtel de La Cité Concorde • Campanile 22, quai Charles de Gaulle Forum Part Dieu 69006 Lyon 29, rue Maurice Flandin Tel : +33 (0)4 78 17 86 86 69444 LYON Cedex 03 Tel: +33 (0)4 72 36 31 00 • Ibis Caluire Palais des Congrès 3 Stars Hotels Palais des Congrès 9, avenue Pouméyrol Hôtel Des Congrès • 69300 Caluire Place du Commandant Rivière Tel: +33 (0)4 72 27 75 00 69100 Lyon Tel: +33 (0)4 72 69 16 17 • Ibis Lyon Centre Perrache 28, cours de Verdun Le Roosevelt • 69002 Lyon 48, rue de Sèze Tel: +33 (0)4 78 37 56 55 69006 Lyon Tel: +33 (0)4 78 52 35 67 • Carlton Lyon / Groupe Accor 4, rue Jussieu 69002 Lyon Tel: +33 (0)4 78 42 56 51 • Best Western Charlemagne 23, cours Charlemagne 69002 Lyon Tel: +33 (0)4 72 77 70 00

48 8 1 E P A C S E ACCESS MAPS

Centre de Congrès de Lyon

Manoir de la Garde, 69640 Jarnioux

IFP-Lyon

From Lyon to Solaize: Take the A7 highway (towards Vienne-Marseille) to the SOLAIZE exit, first right at the round about. 49 E S C A P E 1 8 www.escape18.org

ESCAPE 18

CAPE WP

Event n° 667

SYMPOSIUM SECRETARIAT AND ORGANISATION

ESCAPE 18 c/o COLLOQUIUM 12 rue de la Croix-Faubin - 75011 Paris - France Tel: +33 (0)1 44 64 15 15 - Fax: +33 (0)1 44 64 15 16 e-mail: [email protected]