Mei 1996
,~i
T
U
Delft
Technische Universiteit Delft
produktie van MTBE en ETBE
BijlagenG-Groep
Faculteit der Werktuigbouwkunde en Maritieme Techniek Faculteit der Scheikundige Technologie en der Materiaalkunde Vakgroep Apparatenbouw voor de Procesindustrie
-
./
)
InhoudsopgaveINHOUDSOPGA VE BIJLAGEN
BIJLAGE A
BIJLAGE Al : SPECIFICATIE VAN DE EUROPESE UNIE VOOR LOODVRIJE BENZINE ••••••• 1 BIJLAGE A2 : SOORTELIJKE W ARMTES EN DICHTHEDEN VAN DE GEBRUIKTE
STOFFEN ALS FUNCTIE VAN DE TEMPERATUUR •••••••••••••••••••••••••••••••••••••••••• 2
BIJLAGEB
BIJLAGE B1 : PROCES FLOW DIAGRAM VAN HET MTBE PROCES ... 3
BIJLAGE B2 : MASSA- EN W ARMTESTROMENOVEZICHT MTBE ... 4
BIJLAGE B3 : MAsSA- EN WARMTEBALANS MTBE ... 6
BIJLAGE B4 : PROCES FLOW DIAGRAM VAN HET ETBE PROCES ... 10
BIJLAGE B5 : MASSA- EN W ARMTESTROMENOVEZICHT ETBE ••••••••••••••••••••••••••••••••••• 11 BIJLAGE B6 : MASSA- EN WARMTEBALANS ETBE ... 13
BIJLAGEC BIJLAGE Cl : FORTRAN-ROUTINE VOOR DE MTBE REACTIE (MTBEKIN.FOR) ••••••••••• 17 BIJLAGE C2 : FORTRAN-ROUTINE VOOR DE DRUKVAL OVER DE REACTOREN (MTBEIETBE) (USRDRP.FOR) •••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••• 19 BIJLAGE C3 : FIGUREN VAN HET MOLFRACTIEVERLOOP VAN REACTOR R4 EN R7 MTBE ••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••.•••••••••••••••••••••••••••••• 21 BIJLAGE C4 : INPUTFILE VAN ASPEN VAN DE COMPLETE MTBE-SIMULATIE ••••••••••••• 22 BIJLAGE CS : FORTRAN-ROUTINE VOOR DE ETBE REACTIE (ETBEKIN.FOR) ••••••••••••• 27 BIJLAGE C6 : FIGUREN VAN DE MOLFRACTIEVERLOOP VAN REACTOR R4 EN R7 ETBE ... 29 BIJLAGE C7: INPUTFILE VAN ASPEN VAN DE COMPLETE ETBE-SIMULA TIE ••••••••••••••• 30
BIJLAGED
BIJLAGE Dl : BEREKENING VAN MTBE-REACTOR R4 MET MATHCAD ... 40 BIJLAGE D2 : BEREKENING VAN MTBE-REACTOR R7 MET MA THCAD •••••••••••••••••••••• 51 BIJLAGE D3 : BEREKENING VAN ETBE-REACTOR R4 MET MA THCAD ••••••••••••••••••••••• 62 BIJLAGE D4 : BEREKENING VAN ETBE-REACTOR R7 MET MATHCAD ••••••••••••••••••••••• 73 BIJLAGE D5 : STROMENOVERZICHT MTBE MATHCAD/CHEMCAD KOPPELING •••••••• 83 BIJLAGE El : FLOWSHEET REACTIEVE DESTILATlE ... 84 BIJLAGE E2 : RESUTAATVAN HET VERANDEREN VAN DE ISOBUTEEN-VOEDING ••••••••• 85
BIJLAGEE
BIJLAGE E3 : RESULTAAT SIMULATIE MET EEN ISOBUTEEN-VOEDING VAN
170 KMOL/H •••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••• 86 BIJLAGE E4 : RESULTAAT VAN DE SIMULATIE MET SPEC OP DE MASSAFRACTIE
MTBE IN DE BODEM •••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••• 87 BIJLAGE ES : RESULTAAT VAN DE SIMULATIE MET HET GEWENSTE
TEMPERATUURVERLOOP EN MASSAFRACTIE MTBE IN DE BODEM •••••••• 88 BIJLAGE E6 : RESULTAAT VAN HET VERANDEREN VAN DE PLAATS VAN DE
1\1ETHANOL-VOEDING ••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••• 90 BIJLAGE E7 : FLOWSHEET REACTIEVE DESTILLATIE MET RECYCLE ... 92 BIJLAGE E8 : MASSASTROMEN OVERZICHT REACTIEVE DESTILATlE MET RECYCLE •• 93 BIJLAGE E9: O,'ERZICHT DIMENSIONERING REACTIEVE DESTILLATIE-KOLOM •••••••• 94 BIJLAGE EIO: SCHE\1ATISCHE WEERGAVE REACTIEVE DESTILLATIE KOLOM ••••••.•••. 95 BIJLAGE ElI: FORTRAN ROUTINE VOOR DE KINETlEK VAN HET REACTIEVE DEEL IN
DE KOLOM EN DE VOOR SIMULATIE BENODIGDE ASPEN INPUT FILE •••• 96 BIJLAGE E12 : OVERZICHT VAN DE KOSTEN BEREKENINGEN ... 102
BIJLAGEF
BIJLAGE Fl: APPARATEN LIJST MTBE ... 105
BIJLAGE F2 : ApPARATEN LIJST ETBE ••••.••••..••••...•.••••••••••••••••••...•.•••••.••••••.•.•••....•• 110
BIJLAGE F3 : PIJPSPECIFICATIE •.•.•••••••••••••••••••••...•••••••..•••••.••••.•...•.••••••••••••.•••••...••. 115
BIJLAGE F4: LEIDINGENLIJST MTBE ••••••••••••••••...•.•••••••..•••••••.•••...••••••••••••••••••..•..•. 116
BIJLAGE F5 : LEIDINGENLIJST ETBE •••••••••••••••••.•.•.•••••••••••••••••••...•.•.••••••.•••••••••••..•.••. 117
BIJLAGEG BIJLAGE Gl: ONTWERPSHEET VAN REACTORR4 MTBE ... 118
BIJLAGE G2: SPECIFICATIE FORMULIEREN VAN REACTOREN MTBE ... 119
BIJLAGE G3 : SPECIFICATIEFORMULIEREN VAN REACTOREN ETBE •••••.•.•.•••••.•••... 121
BIJLAGE G4 : BEREKENING VAN DE REACTOREN R4 EN R7 MTBE ..•.•••...••.••.•.•...•... 123
BIJLAGE G5: BEREKENING VAN DE REACTOREN R4 EN R7 ETBE ... 128
BIJLAGEH BIJLAGE Hl: ONTWERPBEREKENINGSSHEETVAN KOLOM T9 MTBE ... 133
BIJLAGE H2: SPECIFICATIEFORMULIER VAN KOLOM T9 MTBE ...•.•..•...•.•••••....•...•• 135
BIJLAGE H3: ONTWERPBEREKENINGSSHEET VAN KOLOM T9 ET BE ... 136
BIJLAGE H4: SPECIFICATIEFORMULIER VAN KOLOM T9 ETBE ...••.••...•....•... 138
BIJLAGE H5: VOORBEELD BEREKENING VAN KOLOM T9 MTBE ...•.•...•...•...••• 139
BIJLAGE I BIJLAGE 11: ONTWERP SHEET VAN POMP PI MTBE •••••••..••••...••....•...••...•...• 146
BIJLAGE 12: SPECIFACTIEFORMULIEREN VAN POMPEN MTBE •...••.•.•...••. 147
BIJLAGE 13: SPECIFACTIEFORMULIEREN VAN POMPEN ETBE ...•..••.•••...••....•. 152
BIJLAGEJ
BIJLAGE J1: BEREKENING VOORDE KEUZE VAN HET KOELMEDIUM ••••••••••••••••••••••••• 157 BIJLAGE J2: ONTWERPSHEET VAN KOELER H3 MTBE ... 162 BIJLAGE J3: ONTWERPSHEET VAN CONDENSOR H10 MTBE ••••••••••••••••••••••••••••••••••••• 163 BIJLAGE J4: ONTWERPSHEET VAN REBOILER H13 MTBE ... 164 BIJLAGE J5: SPECIFICATIEFORMULIEREN VAN DE WARMTEWISSELAARS MTBE ••••• 165 BIJLAGE J6: SPECIFICATIEFORMULIEREN VAN DE WARMTEWISSELAARS ETBE •••••• 171 BIJLAGE J7 : VOORBEELD BEREKENING VAN KOELER H3 MTBE ... 177 BIJLAGE J8: VOORBEELD BEREKENING VAN CONDENSORH10 MTBE ••••••••••••••••••• 190 BIJLAGE J9: VOORBEELD BEREKENING VAN REBOILER H13 MTBE ••••••••••••••••••••••••• 198
BIJLAGEK
BIJLAGE Kl : KOSTENBEREKENING ••••••••••••••••••••••••••••••••••.•••.••••••••••••••••••••••••••••••••.•••• 207 BIJLAGE K2 : FACTOREN ZEVNIK-BuCHANAN ... 214 BIJLAGE K3 : TABEL CHEMICAL ENGINEERING PLANT COST INDEX ••.••.•.•••.••••••••••• 217 BIJLAGE K4 : BEREKENING PURCHASE COST EQUIPMENT ... 218 BIJLAGE K5 : ANNUÏTEITEN TABEL ••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••• 220
BIJLAGE Al : SPECIFICATIE VAN DE EUROPESE UNIE VOOR LOODVRIJE BENZINE
Premium RegulaTi-' Test'Method
'RON (min) 95.00 •
•
ISO 5164MON (min) 85.00 ISO 5163
Lead gIl 0.013 0.013 EN 237 (max) Benzene % vol 5.0 5.0 EN 238 (max) 0.10(b) 0.10· Sulphur % ma ss EN 242601 ISO 8754 Gum mg/100 mi 5 5 EN 5 (maxi
Copper Corrosion 1 1 ISO 2160
{maxi
,- '
Appearance ~Iear and bright Vis ua I
Oxidation Stability:
minutes (mini 360 ISO 7536
Density: kg/m3 725-780 ISO 3675
Oxygenates as per directive 85/536/EEC
Water toleranee no water segregation
Volatility Class
.
Cc) 1 2 3' 4 5 6 7 8
RVP hP. 35()..700 3S()..7OO 4S()..800 45()"800 5!?()..9OO 550-900 600-950 65()..1000 E70 "" Vol 15-45 15-45 15-45 15-45 15-47 15-47 15-47 2()..SO VLl~ nex .. ~'_" + 7E70) 900 9S0 1000 1050 1100 1150 1200 1250 El00 "" vol 40-65 4()..S5 4()..SS 4()..S5 43-70 43-70 43-70 43-70 ElS" "" vol mln S5 85 85 85 85 e5 85 e5 FBp·C max 215 215 215 215 215 215 215 215 Residu. "" max 2 2 2 2 2 2 2 2 Notes:
(a) Properties marked • must be specified in National Standard (bl Sulphur reduced ta 0.05% mass trom 1995
(c) Test methods, with exception of RVP, to ISO 3405. RVP is tested accarding to EN 12, which is suitable far oxygenates contents meeting column A of EC Directive 85/536/EEC.
The use of dyes, markers and performance additives is al/owed, but no phosphoraus con~aining compounds.
BIJLAGE A2 :
SOORTELIJKE W ARMTES EN DICHTHEDEN VAN DEGEBRUIKTE STOFFEN ALS FUNCTIE VAN DE TEMPERATUUR
2
3
Tabel A2.i: Constanten van de vergelijking cTl(J/kmol K) =a+b(T/K) +c(I'IK) +d(T/K)
stof a b c d
isobuteen [1 ] 1,7934e5 -1,4666e3 1,0323 el -3,0081 e-2 methanol [1] 1,076 e5 -3,806 e2 9,79 e-l
°
ethanol [1] 9,456 e4 -5,62 el -3,29 e-l 2,398 e-3 MTBE [1] 1,4012e5 -9 5,63 e-l
°
ETBE [2] 8,3158e4 5,894 e2 -8,641 e-l 1,383 e-3
1. T.E. Daubert, R.P. Danner, editors, Physical and Thermodynamic Properties of Pure Chemicals : Data Compilation, Hemisphere Publishing Corporation, Pennsylvania, 1989.
2. l.F. Izquierdo, F. Cunill, M. Vila, M. Iborra en l. Tejero, Ind.Eng.Chem.Res., 1994, 33 (11),2830-2835.
Tabel A2.2 : Constanten van de vergelijking p(kmol/m3)
=
AlB(1 +(1-T/CF'D, uit de literatuur (1)stof A B C D
isobuteen 1,10 2,67e-l 4,18 e 2 2,80e-l methanol 2,31 2,72 e-l 5,13 e 2 2,33 e-l ethanol 1,52 2,64 e-l 5,16 e 2 2,37 e-l MTBE 8,22 e-l 2,70e-l 4,97 e 2 2,83e-l
1. T.E. Daubert, R.P. Danner, editors, Physical and Thermodynamic Properties of Pure Chemicals : Data Compilation, Hemisphere Publishing Corporation, Pennsylvania, 1989.
Constanten van de uitdrukking p (g/cm3)
=
AI+
A2 T + A3T2
voor ETBE [2]
AI = 1,00 A2
=
-7,40 e-4 A3=
-5,13 e-72. A. langkamolkulchai, G.C.Allred en W.R.Parrish, J.Chem.Eng.Data, 1991,36,481-484.
ël ~
'"
El ~, \0 0\ w~
20 .... 1 1 METI-1ANOL Cf:2Pl~~
P2~
ISOBUTEEN ..,I
DRUKVAL OVER DE LEIDINGEN IS NIET OPGENOMEN IN HET SCHEMAIPl MElHANOL VOEDINGSPOMP T9 MTBE SCHEIDINGSKOLOM P2 ISOBUTEEN VOEDINGSPOMP Hl0 CONDENSOR
H3 VOEDINGSKOELER le REACTOR Vll TOP ACCUMULATOR
R4 le MTBE REACTOR P12 REFLUXPOMP
P5 RECYCLEPOMP H13 REBOILER
H6 VOEDINGSKOELER 2e REACTOR P14 HOOFDRECYCLEPOMP R7 2e MTBE REACTOR H15 PRODUKTKOELER Ha WARMTEWISSELAAR
ISOBUlEEN + MElHANOL RECYCLE
koelwot.r
P12
~oom
PROCESSCHEMA VAN DE PRODUCTIE VAN MTBE UIT METHANOL EN ISO-BUTEEN
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MASSA- EN WARMTESTROMENOVEZICHTMTBE
Stroom nummer 1 2 3 4 5 6 7 8 Temperatuuroe
20 21 20 21 21 20 21 19 bar 1.0 15.0 5.0 15.0 15.0 14.0 15.0 15.0 Totale w.tnntestroom kW -9341.5 -9334.9 -1571.1 -1563.0 -78.5 -78.8 -1484.5 -10819.4 Massastroom per component Isobuteen kg/s 0.00000 0.00000 2.21945 2.21945 0.11154 0.11154 2.10791 2.10791 methanol kg/s 1.24975 1.24975 0.00000 0.00000 0.00000 0.00000 0.00000 1.24975 MTBE kg/s 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 l-buteen kg/s 0.00000 0.00000 0.00669 0.00669 0.00034 0.00034 0.00635 0.00635 TBA kg/s 0.00000 0.00000 0.00885 0.00885 0.00044 0.00044 0.00841 0.00841 Totaal kg/s 1.24975 1.24975 2.23499 2.23499 0.11232 0.11232 2.12267 3.37242 Stroom nummer 9 10 11 12 13 14 15 16 Temperatuuroe
22 60 42 71 71 71 71 69 Druk bar 15.0 15.0 15.0 14.0 14.0 15.0 14.0 14.0 Totale w.tnntestroom kW -11565.8 -68490.0 -69424.6 -69424.6 -56928.1 -56924.2 -12496.5 -12575.0 Massastroom per component Isobuteen kg/s 2.53699 4.68406 4.68406 2.61838 2.14707 2.14707 0.47131 0.58285 methanol kg/s 1.26265 1.64063 1.64063 0.46095 0.37798 0.37798 0.08297 0.08297 MTBE kg/s 0.10867 15.38812 15.38812 18.63348 15.27945 15.27945 3.35403 3.35403 l-buteen kg/s 0.02421 0.13449 0.13449 0.13449 0.11028 0.11028 0.02421 0.02454 TBA kg/s 0.00841 0.04673 0.04673 0.04673 0.03832 0.03832 0.00841 0.00886 Totaal kg/s 3.94093 21.89403 21.89403 21.89403 17.95310 17.95310 3.94093 4.05325 G-Groep mei '96 4Stroom nummer 17 18 19 20 21 22 23 24 Temperatuur
oe
42 50 80 80 111 77 25 63 Druk bar 14.0 13.1 13.1 5.0 5.2 5.2 5.2 4.8 Totale wanntestroom kW -12831.0 -12831.0 -12545.4 -12546.7 - 11583.9 -11868.2 -12267.3 -1147.6 Massastroom percomponent Isobuteen kgls 0.58285 0.48371 0.48371 0.48371 0.05463 0.05463 0.05463 0.92282 methanol kgls 0.08297 0.02636 0.02636 0.02636 0.01346 0.01346 0.01346 0.02775 MTBE kgls 3.35403 3.50977 3.50977 3.50977 3.40110 3.40110 3.40110 0.23388 l-buteen kgls 0.02454 0.02454 0.02454 0.02454 0.00669 0.00669 0.00669 0.03841 TBA kgls 0.00886 0.00886 0.00886 0.00886 0.00886 0.00886 0.00886 0.00001 Totaal kgls 4.05325 4.05325 4.05325 4.05325 3.48474 3.48474 3.48474 1.22287 Stroom nummer 25 26 27 28 29 30 Temperatuuroe
46 46 46 46 46 48 Druk bar 4.8 4.8 4.8 4.8 4.8 15.0 Totale wanntestroom kW -1611.6 -1611.6 -861.9 -861.9 -749.7 -746.4 Massastroom per component Isobuteen kgls 0.92282 0.92282 0.49375 0.49375 0.42908 0.42908 methanol kgls 0.02775 0.02775 0.01485 0.01485 0.01290 0.01290 MTBE kgls 0.23388 0.23388 0.12521 0.12521 0.10867 0.10867 l-buteen kgls 0.03841 0.03841 0.02055 0.02055 0.01786 0.01786 TBA kgls 0.00001 0.00001 0.00001 0.00001 0.00000 O.OOOOC Totaal kws 1.22287 1.22287 0.65436 0.65436 0.56851 0.56851 G-Groep mei '96 5BIJLAGE B3 : MASSA- EN WARMTEBALANS MTBE
IN M 1.250 -9341.5 6.6 2.235 -1571.1 8.1Voorwaarts Massa- en Wannte balans
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Pl ETHANOL VOEDINGSPOMP T9 EmE SCHEIDINGSKOLOM
P2 ISOBUTEEN VOEDINGSPOMP Hl0 CONDENSOR
H3 VOEDINGSKOELER le REACTOR Vll TOP ACCUMULATOR
R4 le ETBE REACTOR P12 REFLUXPOMP
P5 RECYCLEPOMP H13 REBOILER
H6 VOEDINGSKOELER 2e REACTOR P14 HOOFDRECYCLEPOMP
R7 2e ETBE REACTOR H15 PRODUKTKOELER
H8 WARMTEWISSELAAR
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PROCESSCHEMA VAN DE PRODUCTIE VAN ETBE
UIT ETHANOL EN ISO-BUTEEN
fW nr. 3171
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Stroom nummer 1 2 3 4 5 6 7 8 Tempel'3tuuroe
20 21 20 21 21 20 21 16 Druk bar 1.0 15.0 5.0 15.0 15.0 13.5 15.0 15.0 Totale w<umtestroom kW -10847.1 -10838.9 -1520.2 -1512.3 -78.5 -78.8 -1433.8 -12272.7 Massastroom per component Isobuteen kgls 0.00000 0.00000 2.14892 2.14892 0.11153 0.11153 2.03738 2.03738 ethanol kgls 1.79674 1.79674 0.00000 0.00000 0.00000 0.00000 0.00000 1.79674 ETBE kgls 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 l-buteen kgls 0.00000 0.00000 0.00657 0.00657 0.00034 0.00034 0.00623 0.00623 TBA kgls 0.00000 0.00000 0.00868 0.00868 0.00045 0.00045 0.00823 0.00823 Totaal kgls 1.79674 1.79674 2.16417 2.16417 0.11232 0.11232 2.05185 3.84859 3.96091 Stroom nummer 9 10 11 12 13 14 15 16 Tempel'3tuuroe
21 55 42 70 70 70 70 69 Druk bar 15.0 15.0 15.0 13.5 13.5 15.0 13.5 13.5 Totale wanntestroom kW -12850.9 -49125.3 -49697.2 -49697.2 -36278.7 -36274.4 -13418.5 -13497.0 Massastroom per component Isobuteen kgls 2.90033 5.60733 5.60733 3.70822 2.70700 2.70700 1.00122 1.11275 ethanol kgls 1.80256 2.45991 2.45991 0.90048 0.65735 0.65735 0.24313 0.24313 ETBE kgls 0.00002 9.35098 9.35098 12.80952 9.35095 9.35095 3.45857 3.45857 l-buteen kgls 0.06309 0.23367 0.23367 0.23367 0.17058 0.17058 0.06309 0.06343 TBA kgls 0.00823 0.03048 0.03048 0.03048 0.02225 0.02225 0.00823 0.00868 Totaal kgls 4.77424 17.68237 17.68237 17.68237 12.90813 12.90813 4.77424 4.88656 G-Groep mei '96 11Stroom nummer 17 18 19 20 21 22 23 24 Temperatuur
oe
42 51 80 80 130 98 25 49 Druk bar 13.5 13.0 13.0 6.0 6.2 6.2 6.2 5.8 Totale wanntestroom kW -13812.5 -13812.5 -13470.0 -13472.0 -12453.0 -12793.5 -13467.0 -500.0 Massastroom per component Isobuteen kg/s 1.11275 0.94565 0.94565 0.94565 0.08270 0.08270 0.08270 1.85529 ethanol kgls 0.24313 0.10592 0.10592 0.10592 0.10010 0.10010 0.10010 0.01251 ETBE kg/s 3.45857 3.76288 3.76288 3.76288 3.76286 3.76286 3.76286 0.00003 l-buteen kg/s 0.06343 0.06343 0.06343 0.06343 0.00657 0.00657 0.00657 0.12225 TBA kg/s 0.00868 0.00868 0.00868 0.00868 0.00868 0.00868 0.00868 0.00001 Totaal kgls 4.88656 4.88656 4.88656 4.88656 3.96091 3.96091 3.96091 1.99009 Stroom nummer 25 26 27 28 29 30 Temperatuuroe
48 48 48 48 48 50 Druk bar 5.8 5.8 5.8 5.8 5.8 15.0 Totale wanntestroom kW -1171.3 -1171.3 -588.6 -588.6 -582.7 -578.2 Massastroom per component Isobuteen kgls 1.85529 1.85529 0.99234 0.99234 0.86295 0.86295 ethanol kg/s 0.01251 0.01251 0.00669 0.00669 0.00582 0.00582 ETBE kg/s 0.00004 0.00004 0.00002 0.00002 0.00002 0.00002 l-buteen kg/s 0.12225 0.12225 0.06539 0.06539 0.05686 0.05686 TBA kg/s 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 Totaal I kg/s 1.99009 1.99009 1.06444 1.06444 0.92565 0.92565 G-Groep mei '96 12BIJLAGE B6:
MASSA-ENWARMTEBALANSETBE
IN M 1.797 2.164 6.808 Massa m kg/s Warmte in kW ~ -10847.1 8.2 -1520.2 7.9 571.9 G-Groep mei '96 Vootwaarts M Q 1.797 -10838. 2.164 -1512. 2.05..: -1433.B 3.849 -122727 4.774 -12850.9 17.682 -49125.3 0.112 -78.5 17.682 -4%97.2 17.682 -4%97.2 Massa-en Wa nntebalans /JETHANOl..
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FORTRAN-ROUTINE VOOR DEMTBE
REACTIE(MTBEKIN.FOR)
C User Kinetics Subroutine for RCSTR, RPLUG, RBATCH, PRES-RELIEF
C C C C
C
C C CSUBROUTINE MTBKIN (SOUT, NSUBS, IDXSUB, ITYPE, NINT, 2 INT, NREAL, REAL, IDS, NPO,
3 NBOPST, NIWORK, IWORK, NWORK, WORK, 4 NC, NR, STOIC, RATES, FLUXM,
5 FLUXS, XCURR, NTCAT, RATCAT, NTSSAT, 6 RATSSA, KCALL, KFAIL, KFLASH, NCOMP, 7 IDX, Y, X, Xl, X2,
8 NRALL, RATALL,NUSERV, USERV, NINTR,
9 INTR, NREALR, REALR, NIWR, IWR,
*
NWR, WR)IMPLICIT REAL*8 (A-H, O-Z)
COMMON fUSERI RMlSS, IMISS, NGBAL, IPASS, IRESTR, 2 ICONVG, LMSG, LPMSG, KFLAG, NHSTRY, 3 NRPT, NTRMNL, ISIZE
COMMON IPLEXI IB(l) DIMENSION B(1)
EQUIV ALENCE (IB(1),B(1»
COMMON IIPOFF31 IPOFF3(1)
COMMON IMAXWRTIMAXBUF CHARACTER*80 MAXBUF(20)
DIMENSION SOUT(l), IDXSUB(NSUBS), ITYPE(NSUBS), INT(NINT), 2 REAL(NREAL), IDS(2), NBOPST(6,NPO), IWORK(NIWORK), 3 WORK(NWORK), STOIC(NC,NSUBS,NR), RATES(l),
4 FLUXM(l), FLUXS(1), RATCAT(NTCAT), RATSSA(NTSSAT), 5 IDX(NCOMP), Y(NCOMP), X(NCOMP), Xl (NCOMP), X2(NCOMP), 6 RATALL(NRALL), USERV(NUSERV), INTR(NINTR),
7 REALR(NREALR), IWR(NIWR), WR(NWR) C
C. .... RPLUG ...
C
COMMON IRPLUGII IRPLUG COMMON IRPLUGRI XLEN, DIAM
C define Temperature C
T == SOUT(NC+2) C defme Ka,k,CI
C C==Ka (Thermodynamische evenwichtsconst. voor de activiteiten [-]) C D==k (Reactie snelheidsconstante [kmol/s eq])
C E==CI (Aantal zuurequivalenten per reactorvolume [eq/m3])
C C C C C C == 284*EXP(-1.49d3*(lDOrr-lDO/298DO)-77.4*LOG(T/298DO)+ 1 0.5*(T-298DO)-9.13d-4*(T**2-298DO**2)+ 1.11d-6*(T**3-298DO**3)-4 6.28d-lO*(T**4-298DO**4)) D == 0.244D-3*EXP(11.11d3*(lDO/363DO-lDO/T)) E == 3.3D+3 Area == 3.1416*DIAM**2/4DO
C CALLING ACTIVITY COEFFICIENT C C C C LGAM == IPOFF3(24) GI == DEXP(B(LGAM+I)) G2 == DEXP(B(LGAM+2)) G3 == DEXP(B(LGAM+3)) EE==DBLE(E) DD==DBLE(D) CC == DBLE(C) AA == DBLE(AREA) C WRITE (MAXBUF, 1000) CC,DD,T C 1000 FORMAT ('PARAMETERWAARDES ==', C * D8.3,', ',D8.3,', ',D8.3) C CALL WRTTRM(1)
C DEFINE REACTION RATE MTBE C R == EE*DD*((X(1 )*G 1 )/(X(2)*G2)-(X(3)*G3)/(C*(X(2)*G2)**2))* AA C RR==DBLE(R) C RATES(1) ==-RR RATES(2) ==-RR RATES(3) == RR C RETURN END G-Groep mei '96 18
BIJLAGE C2 :
FORTRAN-ROUTINE VOOR DE DRUKV AL OVER DEREACTOREN
(MTBEIETBE)
(USRDRP.FOR)C User Pressure Drop Subroutine for RPLUG
C
SUBROUTINE USRDRP (SIN, SOUT, SINC, SOUTC, NSUBS, 2 IDXSUB, ITYPE, NINT, INT, NREAL,
3 REAL, IDS, NPO, NBOPST, NIWORK, 4 IWORK, NWORK, WORK, PRESP, PRESC, 5 Z, XLONG, DIAM)
C
IMPLICIT REAL *8 (A-H,O-Z)
C
COMMON IUSERI RMlSS, IMISS, NGBAL, IPASS, IRESTR,
2 ICONVG, LMSG, LPMSG, KFLAG, NHSTRY, 3 NRPT, NTRMNL, ISIZE
C
COMMON /NCOMP/ NCC ,NNCC ,NC ,NAC ,NACC , 1 NVCP ,NVNCP ,NV ACC ,NV ANCC ,
2 NASSAY ,NCCASS ,IDXWAT ,NG 3 NM ,NAION ,NCION
C END COMMON /NCOMP/ 23-SEP-1992
C
COMMON /STWORKINRE1N ,NIRE1N ,NHXF ,NHYF ,NWYF ,
1 NSTW ,K.K.l ,K.K2 ,KZ1 ,KZ2 , 2 KAl ,K.A2 ,KRET ,KRSC ,MF , 3 MX ,MXl ,1v1X2 ,MY ,MeS ,
4 MNC ,MHXF ,MHYF ,MWY ,MRE1N ,
5 MIM ,MIC ,MIN ,MPH ,MIRE1N,
6 MKBAS ,MKPHAS ,MTAPP ,MKBASS ,MT APPS , 7 KEXT .KLNK ,KFOUT ,KFOUTl ,KPHV , 8 KPHL .KLNGM ,MFI ,MFST ,MSTOIL, 9 MSTOIS .HV ,HL ,HLI ,HL2 ,
*
SV .SL ,SLI ,SL2 ,VV ,1 VL .VLI ,VL2 ,XMWV ,XMWL ,
2 X\1WL 1 ,XMWL2 ,HCS ,HNCS ,SSALT ,
3 VSAL T .MSTOI ,MLNKL ,MLNKS ,MLNKIN ,
4 MZWK ,MST ,MIEXST ,MIZWK ,HSAL T ,
5 FSALT ,RATIO ,MIPOLY,MRPOLY C END COMMON /STWORKI 09-18-95
C
COMMON /STWKWKI LRSTW, LlSTW, NCPM, NCPCS, NCPNC, NTRIAL,
1 IDUM3(2), TCALC, PCALC, VCALC, QCALC, BETCAL,
2 RDUM(21)
C END COMMON /STWKWKI 4-8-1992
C
COMMON IMAXWRTIMAXBUF
C C C C C C CHARACTER*80 MAXBUF(20)
DIMENSION SIN(1), SOUT(1), SINC(l), SOUTC(l), IDXSUB(NSUBS), 2 ITYPE(NSUBS), INT(NINT), REAL(NREAL), IDS(2,13),
3 NBOPST(6,NPO), IWORK(NIWORK), WORK(NWORK)
COMMON IPLEXI IB(1) DIMENSION B(1)
EQUIV ALENCE (IB(1),B(1))
KODE=2 NPKODE=2 MAXIT=IMISS TOL=RMISS SPEC1=SOUT(NCC+2) SPEC2=SOUT(NCC+ 3) JRES=O KRESLT=l
CALL FLASH (SOUT, NSUBS, IDXSUB, ITYPE, NBOPST, 1 KODE, NPKODE, KPHASE, MAXIT, TOL,
2 SPECl, SPEC2, GUESS, LMSG, LPMSG,
4 JRES, KRESLT, B(LRSTW+MRETN), IB(LISTW+MIRETN), 5 LCFLAG)
CALL VISCL (SOUT(NCC+2), SOUT(NCC+3), B(LRSTW+MX), NCPM, 1 IB(LISTW+MIM), NBOPST, KDIAG, XMu, KER)
RHOMX = SOUT(NCC+8) Area = 3. 141 5 *DIAM**2/4DO flwmss = SOUT(NCC+ 1)*SOUT(NCC+9) flwvl = flwmss/rhomx VSUP = flwvl/ Area Dp
=
6d-4 c XMu=VISC EPS = 0.36 C PRSDRP = DBLE(l50dO*(VSUP*XMu*(1-EPS)**2)/(Dp**2*EPS**3)+ 1 1.75*(RHOMX*VSUP**2*(l-EPS))/(Dp*(EPS**3))) PRESP = DBLE(-PRSDRP) Cc WRITE (MAXBUF, 1000) PRESP,XMu,RHOMX,VSUP c 1000 FORMAT ('P= ',4G13.5) c CALL WRTTRM(l) C RETURN END G-Groep mei '96 20
BIJLAGE C3 :
FIGUREN VAN HET MOLFRACTIEVERLOOP VAN REACTORR4
ENR7MTBE
0.80 ..!
0.70 T I - I ":"'0.60 il _ _ _ ,---,---~ ë ~ i ~ 0.50t
<:> Ii
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I I 0.00 .Jit====-!IIII===;o-*II===lI=ï'==lI=-~=lI===lI=~=lI===lI===lI===lI 0.00 0.50Figuur C3.]: MIEE: Molfractieverloop R4
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;
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G-Groep mei '96
I
'--IB i __ McOHI
__ MTBEI
i
--
I-Butocn _____ TBA __ IB , __ MeOH , __ MTBE - - I-Buteen I , _____ TBA 21BIJLAGE
C4 :
INPUTFILE VAN ASPEN VAN DE COMPLETEMTBE-SIMULATIE
Input Summary with Graphics created by ASPEN PLUS Rel. 9.1-3 on 20:00: 17 Thu May 9, 1996
;Directory C:\ASPEN91 \GGROEP\SERIEUS Filename C:\ASPEN91 \GGROEP\SERIEUS\mtbeI2.inp
TITLE 'mtbe-synthese; base case complete fabriek vaste bedden'
IN-UNITS SI
DEF -STREAMS CONVEN ALL
DATABANKS PURECOMP / AQUEOUS / SOLIDS / INORGANIC / & NOASPENPCD
PROP-SOURCES PURECOMP / AQUEOUS / SOLIDS / INORGANIC
COMPONENTS Cl C4H8-5 Cl / C2 CH40 C2/ C3 C5H120-D2 C3 / C4 C4H8-1 C4/ C5 C4HI00-4 C5 FLOWSHEET
BLOCK PI IN=l OUT=2 BLOCK P2 IN=3 OUT=4 BLOCK SPLl IN=4 OUT=6 5
BLOCK FLSH2 IN=5 OUT=SVOUT2 5A BLOCK MIX1 IN=2 6 OUT=7
BLOCK MIX2 IN=7 30 OUT=8 BLOCK MIX3 IN=8 13 OUT=9 BLOCKH3 IN=9 OUT=10 BLOCK R4 IN=10 OUT=ll BLOCK SPL2 IN=11 OUT=12 14 BLOCK P5 IN=12 OUT=13
BLOCK MIX4 IN=5A 14 OUT=15 BLOCKH6IN=150UT=16 BLOCKR7IN=160UT=17
BLOCK FLSHI IN=18 OUT=SVOUT 19 BLOCK HTX8 IN=20 17 OUT=21 18 BLOCK T9 IN=19 OUT=29 20
BLOCK P14 IN=29 OUT=30 BLOCK HlS IN=21 OUT=22
BLOCK FLSH3 IN=22 OUT=SVOUT3 23 PROPERTIES NRTL-RK ESTIMA TE ALL PROP-DATA NRTL-1 IN-UNITS SI PROP-LIST NRTL BPV AL Cl C2 0.0 840.5508 .47000000.00.00.0323.1500 & 323.1500 BPV AL C2 Cl 0.0412.2995.47000000.00.00.0323.1500 & 323.1500 BPV AL Cl C3 0.0 -285.8313 .30000000.00.00.0323.1500 & 323.1500 BPV AL C3 Cl 0.0417.2121 .30000000.00.00.0323.1500 & 323.1500 BPV AL C2 C3 0.0205.7954.30000000.00.00.0324.3800 & 338.1100 BPVAL C3 C2 0.0 213.6208.30000000.00.00.0324.3800 & 338.1100 BPV AL C2 C5 0.0 -160.3518 .30000000.00.00.0298.1500 & 313.1500 BPV AL C5 C2 0.0 44.07980 .3000000 0.0 0.0 0.0 298.1500 & 313.1500 BPV AL C3 C5 0.0 503.9361 .30000000.00.00.0328.1500 & 355.3500 BPV AL C5 C3 0.0 -253.0250 .3000000 0.0 0.0 0.0 328.1500 & 355.3500
PROP-SET HXDESIGN MASSVFRA MASSFLMX HMX RHOMX CPMX PCMX MUMX &
KMX SIGMAMX MWMX UNITS='KG/SEC' 'JIKG' 'KG/CUM' &
'JIKG-K"N/SQM"N-SEC/SQM"WATTIM-K' 'NIM' &
SUBSTREAM=MIXED PHASE=T V L
PROP-SET THERMAL HMX CPMX KMX UNITS='JIKMOL' 'JIKMOL-K' &
SUBSTREAM=MIXED PHASE=V L
PROP-SET TXPORT RHOMX MUMX SIGMAMX UNITS='KG/CUM' &
SUBSTREAM=MIXED PHASE=V L
PROP-SET VLE PHIMX GAMMA PL SUBSTREAM=MIXED PHASE=V L STREAM 1
SUBSTREAM MIXED TEMP=293 PRES=1 <BAR>
MOLE-FLOW C2 0.039 STREAM3
SUBSTREAM MIXED TEMP=293 PRES=500000 MOLE-FLOW=0.0398 MOLE-FRAC Cl 0.994/ C4 0.003 / C5 0.003
STREAM 16 STREAM23
BLOCK MIXI MIXER
PARAM NPHASE=l PHASE=L REPORTNEWPAGECOMPBAL BLOCK MIX2 MIXER
PARAMNPHASE=l PHASE=L REPORTNEWPAGECOMPBAL BLOCK MIX3 MIXER
PARAMNPHASE=l PHASE=L REPORTNEWPAGECOMPBAL BLOCK MIX4 MIXER
P ARAM NPHASE= 1 PHASE=L REPORTNEWPAGECOMPBAL BLOCK SPLI FSPLIT
MOLE-FLOW 5 0.002
REPORTNEWPAGECOMPBAL BLOCK SPL2 FSPLIT
FRAC 120.82
REPORTNEWPAGECOMPBAL BLOCK H3 HEA TER
PARAM TEMP=315 PRES=1500000 REPORTNEWPAGECOMPBAL BLOCK H6 HEATER
PARAM TEMP=315 PRES=13.2059 <BAR> REPORTNEWPAGECOMPBAL
BLOCK H15 HEATER
PARAM TEMP=25 <C> PRES=5.2 <BAR> REPORTNEWPAGECOMPBAL
BLOCK FLSHI FLASH2
PARAM TEMP=80 <C> PRES=500000
REPORTNE~AGECONWBAL
BLOCK FLSH2 FLASH2
P ARAM TENW=20 <C> PRES=13.2059 <BAR>
REPORTNE~AGECOMPBAL
BLOCK FLSH3 FLASH2
PARAMTENW=25 <C>PRES=1 <BAR>
REPORTNE~AGECOMPBAL
BLOCK HTX8 HEATX P ARAM T -COLD=80 <C> FEEDS HOT=20 COLD=17 PRODUCTS HOT=21 COLD=18
REPORTNE~AGECOMPBAL BLOCK T9 RADFRAC PARAMNSTAGE=17 EFF=MURPHREE FEEDS199 PRODUCTS 2017 L /291 L P-SPEC 1 480000
COL-SPECS B:F=O.77 DP-STAGE=1764.7 MOLE-RDV=O MOLE-RR=1.15 &
DP-COND=20000
THERMOSYPHON VFRAC=0.25
SPEC 1 MASS-FRAC 0.976 STAGE=17 COMPS=C3
VARY 1 B:F 0.250.99
PLOT 1 BASE-COMP=C3 REL-VOL=Cl C2 C4 C5 COND-HCURVE 1
REB-HCURVE 1
TRAY-REPORT TRA Y-OPTION=ALL-TRA YS PROPERTIES=HXDESIGN
THERMAL &
TXPORTVLE REPORT COMPBAL BLOCK R4 RPLUG
SUBROUTINE PRES-DROP=USRDRP
PARAM TYPE=ADIABATIC LENGTH=2.8 DIAM=1.15 PHASE=L &
PDROP-OPTION=PDROP
REPORTNE~AGECOMPBAL
REACTIONS RXN-IDS=R-I BLOCK R7 RPLUG
SUBROUTINE PRES-DROP=USRDRP
PARAM TYPE=ADIABATIC LENGTH=I.5 DIAM=0.5 PHASE=L &
PDROP-OPTION=PDROP
REPORTNE~AGECOMPBAL
REACTIONS RXN-IDS=R-I BLOCK PI PUMP
P ARAM PRES=1500000
REPORT NEWP AGE COMPBAL BLOCK P2 PUMP PARAM PRES=1500000 REPORTNEWPAGECOMPBAL BLOCK PS PUMP PARAM PRES=1500000 REPORTNEWPAGECOMPBAL BLOCK Pl4 PUMP PARAM PRES=1500000 REPORTNEWPAGECOMPBAL CONV -OPTIONS WEGSTEIN MAXIT=500 TEAR TEAR9
STREAM-REPOR MOLEFLOW MASSFLOW STDVOLFLOW MOLEFRAC MASSFRAC &
STDVOLFRAC PROPERTIES=HXDESIGN THERMAL TXPORT VLE PROPERTY-REP PARAMS NOPCES PROP-DATA NODFMS PROJECT REACTIONS R-l USER
P ARAM SUBROUTINE=MTBKIN REAC-DATA 1
STOIC 1 MIXED Cl-l IC2-1 IC31
BIJLAGE CS :
FORTRAN-ROUTINE VOOR DEETBE
REACTIE (ETBEKIN.FOR)C User Kinetics Subroutine for RCSTR, RPLUG, RBATCH, PRES-RELIEF C C C C C C C C
SUBROUTINE ETBKIN (SOUT, NSUBS, IDXSUB, ITYPE, NINT, 2 INT, NREAL, REAL, IDS, NPO,
3 NBOPST, NIWORK, IWORK, NWORK, WORK, 4 NC, NR, STOIC, RATES, FLUXM,
5 FLUXS, XCURR, NTCAT, RATCAT, NTSSAT, 6 RATSSA, KCALL, KFAIL, KFLASH, NCOMP, 7 IDX, Y, X, Xl, X2,
8 NRALL, RATALL,NUSERV, USERV, NINTR,
9 INTR, NREALR, REALR, NIWR, IWR,
* NWR, WR)
IMPLICIT REAL *8 (A-H, O-Z)
COMMON /USER/ RMISS, IMISS, NGBAL, IPASS, lRESTR, 2 ICONVG, LMSG, LPMSG, KFLAG, NHSTRY, 3 NRPT, NTRMNL, ISIZE
COMMON IPLEX! IB(1) DIMENSION B(1)
EQUIV ALENCE (IB(l),B(1))
COMMON IIPOFF31 IPOFF3(1)
COMMON IMAXWRTIMAXBUF CHARACTER *80 MAXBUF(20)
DIMENSION SOUT(1), IDXSUB(NSUBS), ITYPE(NSUBS), INT(NINT),
2 REAL(NREAL), IDS(2), NBOPST(6,NPO), IWORK(NIWORK), 3 WORK(NWORK), STOIC(NC,NSUBS,NR), RATES(1),
4 FLUXM(1), FLUXS(1), RATCAT(NTCAT), RATSSA(NTSSAT), 5 IDX(NCOMP), Y(NCOMP), X(NCOMP), Xl (NCOMP), X2(NCOMP), 6 RATALL(NRALL), USERV(NUSERV), INTR(NINTR),
7 REALR(NREALR), IWR(NIWR), WR(NWR)
C
C ... RPLUG ...
C
COMMON IRPLUGII IRPLUG COMMON IRPLUGRI XLEN, DIAM
C defme Temperature C
T = SOUT(NC+2) C
C define Ka,k,CI
C C=Ka (Thennodynamische evenWÏchtsconst. voor de activiteiten [-])
C D=k (Reactie snelheidsconstante [kmoVs eq])
C E=CI (Aantal zuurequivalenten per reactorvolume [eq/m3])
C C C C C C = EXP(l.140D3-(1.4580D4/T)-(232.9*LOG(T»+(1.086*T)-1 (EXP(l.140D3-(1.4580D4/T)-(232.9*LOG(T»+(1.086*T)-1.EXP(l.140D3-(1.4580D4/T)-(232.9*LOG(T»+(1.086*T)-1EXP(l.140D3-(1.4580D4/T)-(232.9*LOG(T»+(1.086*T)-14D-3*T**2)+(5.538D-7*T**3» D = 266.44D+6*EXP(-1.036D+4rr) E = 3.3D+3 Area = 3.l4l6*DIAM**2/4DO
C CALLING ACTIVITY COEFFICIENT
C C C C LGAM = IPOFF3(24) Gl = DEXP(B(LGAM+l» G2 = DEXP(B(LGAM+2» G3 = DEXP(B(LGAM+3» EE=DBLE(E) DD=DBLE(D) CC = DBLE(C) AA = DBLE(AREA) C WRITE (MAXBUF, 1000) CC,DD,T C 1000 FORMAT ('PARAMETERWAARDES =', C * D8.3,', ',D8.3,', ',D8.3) C CALL WRTTRM(l) C C
C DEFINE REACTION RATE MTBE
C C C C R = EE*DD*((X(1)*Gl)/(X(2)*G2)-(X(3)*G3)/(C*(X(2)*G2)**2»* AA RR=DBLE(R) RATES(1) =-RR RATES(2) =-RR RATES(3) = RR RETURN END G-Groep mei '96 28
BIJLAGE C6 :
FIGUREN VAN DE MOLFRACTIEVERLOOP VAN REACTORR4
ENR7ETBE
0.60ï
J: j ë 0.50 ~ ~ I C I8.
0.40e
I Q..
0.301 I. ~ i c. ~..
0.20 ~•
0: i.::
0.10 ~ Q , ~ ! i 0.00 I Iit 0.00 0.50Figuur C6.1: ETBE: Molfractieverloop R4
0.70 -ï .
•
: : 0.60 J•
•
C I r•
~ c 0.50 ~ Q c. ,e
0.40 ~ Q..
I. • ~ 0.30,:!
..
0.20 ~ ~ Q::::
:
;
~:
;
;
0.00 0.50 1.00 1.50 2.00 Lengte R7 [mIFiguur C6.2: ETBE: Molfractieverloop R7
G-Groep mei '96
•
•
•
;
I
~ 2.50 3.00 3.50 __ IB __ EtOH __ ETBE __ I-Buteen I _ _ TBA ~ __ IB __ EtOH ' __ ETBE , I _ _ I-Buteeni : __ TBA 29BIJLAGE
C7:
INPUTFILE VAN ASPEN VAN DE COMPLETE ETBE-SIMULATIE;Input Swnmary with Graphics created by ASPEN PLUS Rel. 9.l-3 on 20:01 :02 Thu May 9,1996
;Directory C:\ASPEN91 \GGROEP\SERIEUS Filename C:\ASPEN91 \GGROEP\SERIEUS\etbtes 1 Ojnp
,
IN-UNITS SI MASS-FLOW='KGIHR' MOLE-FLOW='KMOLIHR' &
VOLUME-FLOW='CUMlHR' PRESSURE=BAR TEMPERA TURE=C DELTA-T=C
&
PDROP-PER-HT='MBARJM' PDROP=BAR
DEF -STREAMS CONVEN ALL
SIM-OPTIONS
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DEL TA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
&
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALlMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
SIM-OPTIONS PLOWER=O.O PUPPER=1.45038E+6 FLASH-MAXIT=500
DATABANKS PURECOMP / AQUEOUS / SOLIDS / INORGANIC / &
NOASPENPCD
PROP-SOURCES PURECOMP / AQUEOUS / SOLIDS / INORGANIC
COMPONENTS Cl C4H8-S Cl / C2 C2H60-2 C2 / C3 C6H140-E3 C3 / C4 C4H8-l C4/ CS C4HlOO-4 C5 FLOWSHEET
BLOCK P2 IN=3 OUT=4 BLOCKPl IN=l OUT=2 BLOCK MIXl IN=7 30 OUT=8 BLOCK SPLl IN=4 OUT=S 6
BLOCK FLSHl IN=S OUT=SVOUTl SA
BLOCK MIX2 IN=2 6 OUT=7 BLOCK MIX3 IN=8 13 OUT=9 BLOCKH3 IN=9 OUT=lO
BLOCK R4 IN=10 OUT=ll BLOCK SPL2 IN=ll OUT=12 14 BLOCK PS IN=12 OUT=13
BLOCK MIX4 IN=14 SA OUT=lS BLOCK H6 IN=lS OUT=16 BLOCK R7 IN=16 OUT=17
BLOCKHTX8 IN=20 17 OUT=2118
BLOCK FLSH2 IN= 18 OUT=SVOUT2 19 BLOCK T9 IN=19 OUT=29 20
BLOCK P14 IN=29 OUT=30 BLOCK HlS IN=21 OUT=22
BLOCK FLSH3 IN=22 OUT=SVOUT3 23
PROPERTIES NRTL-RK
ESTIMA TE ALL
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY -FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
NRTL ALL ALL UNIF AC
PROP-DATA NRTL-1
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR PROP-LIST NRTL BPVAL C2 CS 0.0189.1925.30000000.00.00.078.75000 & 82.60000 BPVAL CS C2 0.0 -202.7111 .30000000.00.00.078.75000 & 82.60000 PROP-SET HXDESIGN IN-UNITS SI
PROPNAME-LIS MASSVFRA MASSFLMX HMX RHOMX CPMX PCMX MUMX
&
KMX SIGMAMX MWMX UNITS='KG/SEC' 'JIKG' 'KG/CUM' &
'JIKG-K' 'N/SQM' 'N-SEC/SQM' 'WATTIM-K' 'NIM' &
SUBSTREAM=MIXED PHASE=T V L
PROP-SET THERMAL
&
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
PROPNAME-LIS HMX CPMX KMX UNITS='JIKMOL' 'JIKMOL-K' &
SUBSTREAM=MIXED PHASE=V L
PROP-SET TXPORT
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
PROPNAME-LIS RHOMX MUMX SIGMAMX UNITS='KG/CUM' &
SUBSTREAM=MIXED PHASE=V L
PROP-SET VLE
&
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
PROPNAME-LIS PHIMX GAMMA PL SUBSTREAM=MIXED PHASE=V L
PROP-SET VLLE
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
PROPNAME-LIS PHIMX GAMMA PL SUBSTREAM=MIXED PHASE=V 11 L2
STREAM 1
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
&
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
SUBSTREAM MIXED TEMP=20 PRES=l MOLE-FLOW C2 0.039 <KMOLISEC>
STREAM3
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
&
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
SUBSTREAM MIXED TEMP=20 PRES=5
MOLE-FLOW Cl 0.0383 <KMOLISEC> / C4 1.17E-4 <KMOLISEC> / &
C5 1.17E-4 <KMOLISEC> STREAM 10 STREAM 14 STREAM 15 STREAM 16 STREAM 17 STREAM 18 STREAM 19 STREAM 23
BLOCK MIXI MIXER
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
&
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
REPORTNE~AGECOMPBAL
BLOCK MIX2 MIXER
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
REPORTNEWPAGECOMPBAL
BLOCK MIX3 MIXER
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
REPORTNEWPAGECOMPBAL
BLOCK MIX4 MIXER
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY -FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
REPORTNEWPAGE COMPBAL
BLOCK SPL 1 FSPLIT
&
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
MOLE-FLOW 5 0.002 <KMOLISEC>
REPORT NEWPAGE COMPBAL
BLOCK SPL2 FSPLIT
&
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR FRAC 120.73
REPORTNEWTAGECONWBAL
BLOCK H3 HEATER
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' & HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C & VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTIIALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' & PDROP=BAR
PARAM TEMP=315 <K> PRES=15 REPORTNEWTAGECONWBAL
BLOCK H6 HEATER
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' & HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TENWERA TURE=C & VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' & PDROP=BAR
PARAM TENW=315 <K> PRES=13.43035 REPORTNEWTAGECONWBAL
BLOCK H15 HEATER
&
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALIHR' & HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C & VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' & PDROP=BAR
P ARAM TEMP=25 PRES=6.2 REPORTNEWTAGECOMPBAL
BLOCK FLSHI FLASH2
&
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALlHR' & HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C & VOLUME=CUM DEL T A-T=C HEAD=METER MOLE-DENSITY ='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' & PDROP=BAR
P ARAM TEMP=20 PRES=13.43035 REPORTNEWPAGECOMPBAL
BLOCK FLSH2 FLASH2
&
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
P ARAM TEMP=80 PRES=6 REPORT NEWPAGE COMPBAL
BLOCK FLSH3 FLASH2
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
PARAM TEMP=25 PRES=l REPORT NEWPAGE COMPBAL
BLOCK HTX8 HEATX
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
P ARAM T -COLD=80 U-OPTION=PHASE FEEDS HOT=20 COLD=17
PRODUCTS HOT=21 COLD=18
HEAT-TR-COEF L-L=730.8684 <WATT/SQM-K> &
B-L=730.8684 <WATT/SQM-K> V-L=730.8684 <WATT/SQM-K> &
L-B=730.8684 <WATT/SQM-K> B-B=730.8684 <WATT/SQM-K> &
V-B=730.8684 <WATT/SQM-K> L-V=730.8684 <WATT/SQM-K> &
B-V=730.8684 <WATT/SQM-K> V-V=730.8684 <WATT/SQM-K>
REPORT NEWP AGE COMPBAL PROFILE
BLOCK T9 RADFRAC
&
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' & PDROP=BAR
P ARAM NSTAGE=17 EFF=MURPHREE FEEDS 199
PRODUCTS 2017 L / 291 L P-SPEC 1 5.8
COL-SPECS B:F=0.7 DP-STAGE=0.017647 MOLE-RDV=O MOLE-RR=1.15 & DP-COND=O.2
THERMOSYPHON VFRAC=0.25
SPEC 1 MASS-FRAC 0.95 COMPS=C3 STREAMS=20 V ARY 1 B:F 0.4 0.99
PLOT 1 BASE-COMP=C3 REL-VOL=C1 C2 C4 CS COND-HCURVE 1
REB-HCURVE 1
TRA Y -REPORT TRA Y -OPTION=ALL-TRAYS PROPERTIES=TXPORT THERMAL
&
VLE HXDESIGN
SIZE-DATA COND=YES REB=YES LIGHT-KEY=C1 HEAVY-KEY=C3 REPORT NEWPAGE COMPBAL
BLOCK R4 RPLUG
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' & HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C & VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' & PDROP=BAR
SUBROUTINE PRES-DROP=USRDRP
P ARAM TYPE=ADIABA TIC LENGTH=5 DIAM= 1.5 PHASE=L &
PDROP-OPTION=PDROP REPORT NEWP AGE COMPBAL REACTIONS RXN-IDS=R-2
BLOCKR7 RPLUG
&
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALlHR' & HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERATURE=C & VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' & PDROP=BAR
SUBROUTINE PRES-DROP=USRDRP
P ARAM TYPE=ADIABATIC LENGTH=5 DIAM=O.625 PHASE=L &
PDROP-OPTION=PDROP REPORTNEWTAGECOMPBAL REACTIONS RXN-IDS=R-2
BLOCK PI PUMP
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR P ARAM PRES=15
REPORTNEWTAGECOMPBAL
BLOCK P2 PUMP
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR P ARAM PRES= 15
REPORTNEWTAGECOMPBAL
BLOCK P5 PUMP
&
IN-UNITS MET VOLUME-FLOW='CUMIHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR P ARAM PRES= 15
REPORTNEWTAGECOMPBAL
BLOCK P14 PUMP
&
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY -FLO='MMKCALIHR' &
HEAT -TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM'
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR P ARAM PRES= 15
REPORTNEWPAGECOMPBAL
CONV-OPTIONS
WEGSTEIN MAXIT=500
STREAM-REPOR MOLEFLOW MASSFLOW STDVOLFLOW MOLEFRAC
MASSFRAC &
STDVOLFRAC PROPERTIES=HXDESIGN THERMAL TXPORT VLE VLLE PROPERTY-REP PARAMS PCES PROP-DATA DFMS PROJECT
ADA-REPORT PARAMS REACTIONS R-2 USER
IN-UNITS MET VOLUME-FLOW='CUMlHR' ENTHALPY-FLO='MMKCALIHR' &
HEAT-TRANS-C='KCALIHR-SQM-K' PRESSURE=BAR TEMPERA TURE=C &
VOLUME=CUM DELTA-T=C HEAD=METER MOLE-DENSITY='KMOLICUM' &
MASS-DENSITY='KG/CUM' MOLE-ENTHALP='KCALIMOL' &
MASS-ENTHALP='KCALIKG' HEAT=MMKCAL MOLE-CONC='MOLIL' &
PDROP=BAR
P ARAM SUBROUTINE=ETBKIN REAC-DATA 1
STOIC 1 MIXED Cl -1 / C2 -1/ C3 1
BIJLAGE Dl :
BEREKENING VAN MTBE-REACTOR R4 MET MAmCADMassa- en warmtebalans voor MTBE in de eerste Plug Flow Reactor met recycle Randvoorwaarden voor de massa- en warmtebalans op z=O
10 \
RVW=\315)
Diameter van de reactor (m) D pfr.=2.0
Lengte van de reactor (m) L pfr·=2.0
Splitfactor recycle over de reactor Split· =0.82
Beginschatting conversie ç uit =READ(ConvMTBE dat)
Laatst door Chemcad berekende flows recycle stroom kolom - reactor 1 (molIs)
r
1.5495l
12.99581 Fr =11.92191 10.7599! . I lO.0008JFresh Feed Methanol + recyclestroom kolom - reactor 1 (molis)
F MeOHO =39-"-F ro
Fresh feed iso-Buteen + recyclestroom kolom - reactor 1 (molis)
F iBO =37.573-:-F rl
Fresh feed MTBE + recyclestroom kolom - reactor 1 (molis) F MTBEO =F r2
Fresh feed l-buteen + recycle stroom kolom - reactor 1 (molis)
FIBO =0.1340- Fr_
>
Fresh feed TBA + recyclestroom kolom -reactor 1 (molis)
FTBAO =0.1340-Fr
~
Ionenwisselaarscapaciteit (eq H+/kg) q =4.9
Porositeit van de katalysator (-)
E =0.36
Zwelgraad van de katalysator betrokken op de droge stof (-) s =0.53
Dichtheid van het katalysator-skelet (kg/m3)
P kat = 1515
Molmassa iso-Buteen (kg/mol)
-3
m iB =56.10810
Molmassa Methanol (kg/mol)
-3
m MeOH =32.04210
Molmassa MTBE (kg/mol) -3
m MTBE=88.1S010
Molmassa l-Buteen (kg/mol)
-3
m IB =56.10710
Molmassa TBA (kg/mol)
-3
m TBA=74.12310
Gasconstante (kJ/ mol K) -3
R gas =8.31410
Van der Waals volume interactieparameter Methanol R 1=1.43
Van der Waals oppervlakte interactieparameter Methanol Q I =1.43
Van der Waals volume interactieparameter iso-Buteen R2=3.147
Van der Waals oppervlakte interactieparameter iso-Buteen Q2 =2.872
Van der Waals volume interactieparameter MIBE R 3 =3.622
Van der Waals oppervlakte interactieparameter MTBE
Q 3 =3.324
Van der Waals volume interactieparameter l-Buteen
R 4 =2.564
Van der Waals oppervlakte interactieparameter l-Buteen
Q 4 =2.921
Van der Waals volume interactieparameter TBA
R 5 =3.048
Van der Waals oppervlakte interactieparameter TBA Q 5 =3.453
Interactieparameter Methanol- iso-Buteen (kj/mol)
a 12 =-0.294
Interactieparameter Methanol - MIBE (kj/mol)
a 13 =-0.731
Interactieparameter iso-Buteen - MTBE (kJ/mol)
a 23 =0.434
Interactieparameter iso-Buteen - Methanol (kj/mol)
a21 =5.866
Interactieparameter MTBE - Methanol (kj/mol)
a 31 =3.893
Interactieparameter MTBE - iso-Buteen (kj/mol)
a32 =-0.204
Interactieparameter Methanol - l-Buteen (kj/mol)
a 14 =-0.04
Interactieparameter Methanol - TBA (kJ/mol)
a 15 =-0.369
Interactieparameter iso - Buteen - TBA (kj/mol)
a25 =1.474
Interactieparameter MTBE - l-Buteen (kJ/mol)
a34=0.Oll
Interactieparameter MTBE - TBA (kJ/mol)
a35=1.374
Interactieparameter l-Buteen - Methanol (kj/mol)
a41 =3.49
Interactieparameter l-Buteen - MTBE (kJ/mol)
a43 =0.116
Interactieparameter l-Buteen - TBA (kJ/mol)
a 45
=
1.3 I 9Interactieparameter TBA - Methanol (kJ/mol)
a51 =0.965
Interactieparameter TBA - iso-Buteen (kJ/mol)
a 52 =-0.461
Interactieparameter TBA - MTBE (kJ/mol)
a 53 =-0.835
Interactieparameter TBA - l-Buteen (kj/mol)
a 54 =-0.369
Coordinatiegetal en =10
Protonconcentratie van de katalysator (eq H+ /m3)
1-E
C 3 = - -Pk -q m I -;.-S at
Oppervlak dwarsdoorsnede reactor (m2)
_lt 2
A pfr ---0 pfr
4
Feed aan Methanol reactor in (mol/s)
F MeOHO
F MeOHI - \'
I - Split-(I -ç uit, I
-
-Feed aan iso-Buteen reactor in (moUs)
F iBO - F MeOHr ç ui(Split
F iBI _
( 1-Split)
Feed aan MTBE reactor in (moUs)
F MTBEI
F MTBEO -;.-F MeOHrSplit-ç uit
(1- Split)
Feed aan l-Buteen de reactor in
=
molenstroom l-Buteen in reactor (molis)F lBO FIBI =--
-I - Split
Feed aan TBA de reactor in
=
molenstroom TBA in reactor (moUs)F TBAI F TBAO
I - Split
Molenstroom Methanol in de reactor (molIs)
F 1(1; MeO~ ·=F MeOHr(l- ç MeO~
F MeOH(1; MeO~ =if(F I (I; MeOW<O,O,F I (I; MeO~)
Molenstroom iso-Buteen in de reactor (molIs)
F 2(1; MeOH! =F iBI - F MeOHrÇ MeOH
F iB(1; MeOHJ=if(F 2(1; MeOW<O,O,F 2(1; MeOHJ)
Molenstroom MTBE in de reactor (molIs)
F 3(1; MeOHJ =F MTBEI i-F MeOHrç MeOH
F MTBE(I; MeOH) =if(F 3(1; MeOHJ<O,O,F 3(1; MeO~)
Totale massastroom in de reactor (kg/s)
~ mtot =F MeOJ.!0)·m MeOH-+-F iB(O)'m iB +F MTBE(O)'m MTBE i-F IBr m IB , F TBAI'm TBA
Reactiesnelheidsconstante (molIs eq)
r
3
'(
1
\
(
I
)l'
k(T) =o.244exJ
ï.
,I1.111O·1- 1-
\
-
JJ
L TI ,363 Evenwichtsconstante Ka (-)3
1
'
('
1
)
(
1
')
1
('
T ) '4, 2 ..2, f(T) =,1.4910· - - - J-77.4In- +05(T-298)-9.13IO \T -29lS ...l
T 298 298 '6( 3..3\ '10( 4 4\ + l.lll 0 . T -29lS ) -6.2810 . T -298 i K atT) =284ex"f(T» Molfractie Methanol (-) x liE, MeO~ Molfractie iso-Buteen (-) F iB(1; MeOHJ(F MeOH(1; MeOHi i-F iB(E, MeOH) -+-F MTBE (I; MeOHJ -r-F IBI - F TBAI.
Molfractie MTBE (-)
Molfractie l-Buteen (-)
F lBl
IF MeOHil; MeOH, - F iBIE, MeOHj i-F MTBE 11; MeOHi - F lBl -'-F TBAl,
Molfractie TBA (-)
F TBA1
x S' I; MeOH' - , , . \ '
iF MeOH( I; MeOH) T F iB i.E, MeOHI + F MTBE 1,1; MeOHi -'-F 1 B 1 - F TBA 1
Uniquac parameter <1> voor Methanol (-)
x 1:,1; MeOH)'R 1
ctJ 1 I; MeOHJ - , . I . ,
xl E, MeOH"R l"'x 2(1; MeOH)'R 2- x 3\.1; MeOH)'R 3"'x 4'.E, MeOW'R 4 - x 51; MeOH)'R 5