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Bilance - Zimní Semestr 2007
Bilance - Zimní Semestr 2007
2. Podstata procesu:
V koloně K reaguje nasycený vodný roztok solanky s plynnou směsí čpavku a oxidu uhličitého za
vzniku bikarbonátu sodíku a chloridu ammonného. Vzhledem k malé rozpustnosti bikarbonátu
sodného dochází za provozní teploty k jeho vysrážení a vzniku suspenze. Ta se filtruje na
bubnovém filtru a filtrační koláč ne promýván vodou. Filtrát je odváděn na regeneraci čpavku.
Filtrační koláč je veden do kalcinační rotační pece, kde se bikarbonát termicky rozkládá na sodu
a oxid uhličity a vodní páru. Odplyny jsou vedeny na vstup do procesu a soda je odváděna jako
produkt.
3. Flowsheet:
4 6
K FILTRACE
O
N
V 7 8
E
R
Z
E 3 5
molární hmotnost
Soupis - proudy Soupis - složky kg / kmol
1 Solanka NaCl,H2O 1 H 2O 18.02
2 Vstupní plyn NH3,CO2 2 NaCl 58.44
3 Suspense NH4CL,NaCl,NaHCO3,H2O 3 CO2 44.01
4 Odplyny CO2, NH3 4 NH3 17.03
5 Filtrát NH4CL,NaCl,NaHCO3,H2O 5 NaHCO3 84.01
6 Promývací voda H2O 6 NH4Cl 53.49
7 Filtrační koláč NaHCO3,H2O 7 Na2CO3 105.99
8 Produkty rozkladu H2O, CO2
9 Produkt Na2CO3
6: Základ výpočtu:
bilancujeme: hmotnost kg.s-1
7: Referenční proud:
m1;2 = 25 tun NaCl / den = 0.12 kg.s-1
8. Přepočty:
CE
7 8
9
kg/kg H2O
kg/kg H2O
Soupis - bloky
1 konverse
2 filtrace
3 kalcinace
složka
1
složka
1
složka r1 = mol
2 m1;2 = kg
m1;2 /58.44= mol
r1 = 0.98*m1;2 / 58.44
IM Incidencní matice
bloky proudy
1 2 3 4 5 6 7 8
1 konverse
2 filtrace
3 kalcinace
Vyplnit ho Jestliže proud do bloku vstupuje - zadat 1, jestliže proud z bloku vystupuje - zadat -1, jinak zů
IM Incidencní matice
bloky proudy
1 2 3 4 5 6 7 8
1 konverse 1 1 -1 -1 0 0 0 0
2 filtrace 0 0 1 0 -1 1 -1 0
3 kalcinace 0 0 0 0 0 0 1 -1
TD Tabulka dat
složky proudy
1 2 3 4 5 6 7 8
1 H2O
2 NaCl
3 CO2
4 NH3
5 NaHCO3
6 NH4Cl
7 Na2CO3
Jestliže se složka v proudu vyskytuje, napíšeme 1 (bez znaménka), jinak zůstane nula
TD Tabulka dat
složky proudy
1 2 3 4 5 6 7 8
1 H2O 1 0 1 0 1 1 1 1
2 NaCl 1 0 1 0 1 0 0 0
3 CO2 0 1 0 1 0 0 0 1
4 NH3 0 1 0 1 0 0 0 0
5 NaHCO3 0 0 1 0 1 0 1 0
6 NH4Cl 0 0 1 0 1 0 0 0
7 Na2CO3 0 0 0 0 0 0 0 0
Získání dalších potřebných informací pro matici koeficientů
Počet bilancí
generujeme matici SOUČIN.MATIC(C39:K45,TRANSPOZICE(ABS(C16:K18)))
2 4 2
2 2 0
BIL = 2 0 1
2 0 0
1 3 1
1 2 0
0 0 1
pokračuje na ( soda_2)
reakce
9 r1 r2
reakce
9 r1 r2
0 1 0
0 0 0
-1 0 1
reakce
9 r1 r2
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
reakce
9 r1 r2
0 -18.02 18.02
0 -58.44 0
0 -44.01 44.01
0 -17.03 0
0 84.01 -168.02
0 53.49 0
1 0 105.99
ní matice, maticový součin.
Vytvoříme základ matice koficientů . Bude mít rozměr nX x nX
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
Řádkem 1 je dáno : Každý proud bude mít tolik kolonek, kolik má tentýž proud jedniček (složek) v matici TD
Druhý řádek udává které složky to jsou
První dva řádky jsou pomocné pro vytvoření řádku názvů neznámých (třetí řádek )
První sloupec udává blok a zároveň počet složek které se v bloku vyskytují (počet nenulových prvků sloupce bloku v
Druhý sloupec udává číslo složky.
Řádek
1 1 1 2 2 3 3
Sloupec 2 1 2 3 4 1 2
1 2 3 m1;1 m1;2 m2;3 m2;4 m3;1 m3;2
1 1 0 0 0 0 0 0
1 2 0 0 0 0 0 0
1 3 0 0 0 0 0 0
1 4 0 0 0 0 0 0
1 5 0 0 0 0 0 0
1 6 0 0 0 0 0 0
2 1 0 0 0 0 0 0
2 2 0 0 0 0 0 0
2 5 0 0 0 0 0 0
2 6 0 0 0 0 0 0
3 1 0 0 0 0 0 0
3 3 0 0 0 0 0 0
3 5 0 0 0 0 0 0
3 7 0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
Počet koincidencí složky s blokem udává hodnota odpovídajícího prvku matice BIL
Řádek
1 proudy 1 1 2 2 3
Sloupec 2 složky 1 2 3 4 1
1 2 3 m1;1 m1;2 m2;3 m2;4 m3;1
1 1 1 0 0 0 -1
1 2 0 1 0 0 0
1 3 0 0 1 0 0
1 4 0 0 0 1 0
1 5 0 0 0 0 0
1 6 0 0 0 0 0
2 1 0 0 0 0 1
2 2 0 0 0 0 0
2 5 0 0 0 0 0
2 6 0 0 0 0 0
3 1 0 0 0 0 0
3 3 0 0 0 0 0
3 5 0 0 0 0 0
3 7 0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
ožek) v matici TD
3 3 4 4 5 5 5 5 6 7
5 6 3 4 1 2 5 6 1 1
m3;5 m3;6 m4;3 m4;4 m5;1 m5;2 m5;5 m5;6 m6;1 m7;1
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
3 3 3 4 4 5 5 5 5 6
2 5 6 3 4 1 2 5 6 1
m3;2 m3;5 m3;6 m4;3 m4;4 m5;1 m5;2 m5;5 m5;6 m6;1
0 0 0 0 0 0 0 0 0 0
-1 0 0 0 0 0 0 0 0 0
0 0 0 -1 0 0 0 0 0 0
0 0 0 0 -1 0 0 0 0 0
0 -1 0 0 0 0 0 0 0 0
0 0 -1 0 0 0 0 0 0 0
0 0 0 0 0 -1 0 0 0 1
1 0 0 0 0 0 -1 0 0 0
0 1 0 0 0 0 0 -1 0 0
0 0 1 0 0 0 0 0 1 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
7 8 8 9
5 1 3 7
m7;5 m8;1 m8;3 m9;7 r1 r2
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
7 7 8 8 9
1 5 1 3 7 Vektor pravých stran
m7;1 m7;5 m8;1 m8;3 m9;7 r1 r2 B
0 0 0 0 0 -18.02 0 0
0 0 0 0 0 -58.44 0 0
0 0 0 0 0 -44.01 0 0
0 0 0 0 0 -17.03 0 0
0 0 0 0 0 84.01 0 0
0 0 0 0 0 53.49 0 0
-1 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 -1 0 0 0 0 0 0
0 0 0 0 0 0 0 0
1 0 -1 0 0 0 18.02 0
0 0 0 -1 0 0 44.01 0
0 1 0 0 0 0 -168.02 0
0 0 0 0 -1 0 105.99 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
Referencní proud
proud složka prùtok
1 2 0.23 kg/sec Tato informace se penese do matice koeficientů následujícím způsobem
m9;7
B
0
0
0
r1 r2 B
m1;1 m1;2 m2;3 m2;4 m3;1 m3;2 m3;5 m3;6 m4;3
1 0 0 0 -1 0 0 0 0
0 1 0 0 0 -1 0 0 0
0 0 1 0 0 0 0 0 -1
0 0 0 1 0 0 0 0 0
0 0 0 0 0 0 -1 0 0
0 0 0 0 0 0 0 -1 0
0 0 0 0 1 0 0 0 0
0 0 0 0 0 1 0 0 0
0 0 0 0 0 0 1 0 0
0 0 0 0 0 0 0 1 0
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 1 0 0 0 0 0 0 0
1 -2.8 0 0 0 0 0 0 0
0 0 -0.26 1 0 0 0 0 0
0 0 0 0 0 0 0 0 -1
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 -0.02 0 0 0 0 0 0 0
1 2 3 4 5 6 7
1 H2O 0.32 0 0.29 0 0.29 0.06 0.06
2 NaCl 0.12 0 0 0 0 0 0
3 CO2 0 0.09 0 0 0 0 0
4 NH3 0 0.02 0 -0.01 0 0 0
5 NaHCO3 0 0 0.16 0 0.02 0 0.14
6 NH4Cl 0 0 0.1 0 0.1 0 0
7 Na2CO3 0 0 0 0 0 0 0
m4;4 m5;1 m5;2 m5;5 m5;6 m6;1 m7;1 m7;5 m8;1 m8;3
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
-1 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 -1 0 0 0 1 -1 0 0 0
0 0 -1 0 0 0 0 0 0 0
0 0 0 -1 0 0 0 -1 0 0
0 0 0 0 -1 0 0 0 0 0
0 0 0 0 0 0 1 0 -1 0
0 0 0 0 0 0 0 0 0 -1
0 0 0 0 0 0 0 1 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 -2.33 1 0 0
0 0 0 0 0 1 -1 0 0 0
0 -0.08 0 1 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
N.MATIC(INVERZE(A3:V24),W3:W24))
m4;4 m5;1 m5;2 m5;5 m5;6 m6;1 m7;1 m7;5 m8;1 m8;3
-0.01 0.29 0 0.02 0.1 0.06 0.06 0.14 0.08 0.04
8 9
0.08 0
0 0
0.04 0
0 0
0 0
0 0
0 0.09
m9;7 r1 r2 B
0 -18.02 0 0
0 -58.44 0 0
0 -44.01 0 0
0 -17.03 0 0
0 84.01 0 0
0 53.49 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 18.02 0
0 0 44.01 0
0 0 -168.02 0
-1 0 105.99 0
0 0 0 0.12
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 1 0 0
m9;7 r1 r2
0.09 0 0
Zadání úlohy: Výsledek řešení bude v listu Výsledkový list - Reporting, který musíme otevřít a zkopírovat do něj
první čtyři body Zadání
Výsledkový list-Reporting
Obecné údaje o projektu:
Datum:
Vypracoval:
Schválil:
3 O D TAH
4
6
R
O
K
A
T
7
R
2 MÍSIČ 8
1
9
4. Zadané parametry procesu:
molární hmotnost
Soupis - proudy Soupis - složky kg / kmol Soupis - bloky
1 surovina Fe2O3 1 H2 2.01 1
2 produkt Fe 2 CO2 44.01 2
3 odplyn H2, CO2, H2O 3 H2O 18.01 3
4 vodní pára H2O 4 Fe 55.85 4
5 suchý odplyn H2, CO2 5 Fe2O3 159.70
6 odtah H2, CO3
7 recykl H2, CO4
8 čerstvý vodík H2, CO5
9 redukční plyn H2, CO6
6: Základ výpočtu:
bilancujeme: látkové množství kmol.s-1
7: Referenční proud:
8. Přepočty:
kg kmol/kmol kg/kg
Proud Složka kmol 199.0 0.990 0.819
8 1 99.0 44.0 0.010 0.181
8 2 1.0 243.0 1.000 1.000
Součet 100.0
kg kmol/kmol kg/kg
Proud Složka kmol 196.0 0.975 0.640
9 1 97.5 110.0 0.025 0.360
9 2 2.5 306.0 1.000 1.000
Součet 100.0
Stechiometrické koeficienty:
látkové množství hmotnost
Složky
1 H2 -3 -6.03
2 CO2 0 0
3 H2O 3 54.03
4 Fe 2 111.7
5 Fe2O3 -1 -159.7
3. Flowsheet:
4. Zadané parametry procesu:
6: Základ výpočtu:
bilancujeme: látkové množství kmol.s-1
7: Referenční proud:
8. Přepočty:
Stechiometrické koeficienty:
1 experimentálními daty
2 fázovými rovnováhami mezi proudy odlišných ází
3 chemickými rovnováhami meziproudy vstupujícími do reakce
a vystupujícími z reakce
Soupis bloky
reaktor
separace
odtah
misič
pujícími do reakce
Nejdříve si na základě zadání zapíšeme základní parametry:
počet proudů 9
počet chemických reakcí 1
počet bloků 4
počet složek 5
IM Incidencní matice
bloky proudy
1 2 3 4 5 6 7 8
1 reaktor 1 -1 -1 0 0 0 0 0
2 separace 0 0 1 -1 -1 0 0 0
3 odtah 0 0 0 0 1 -1 -1 0
4 misič 0 0 0 0 0 0 1 1
TD Tabulka dat
složky proudy
1 2 3 4 5 6 7 8
1 H2 0 0 1 0 1 1 1 1
2 CO2 0 0 1 0 1 1 1 1
3 H2O 0 0 1 1 0 0 0 0
4 Fe 0 1 0 0 0 0 0 0
5 Fe2O3 1 0 0 0 0 0 0 0
2 2 3 3
2 2 3 3
1 2 0 0 Bilanční rovnice = počet nenulových prvků =
1 0 0 0
1 0 0 0
reakce
9 r1
1 -3
1 0
0 3
0 2
0 -1
Í(C21:K25)+1 17
1:K25,TRANSPOZICE(ABS(C13:K16)))
vých prvků = 12
proud složka
8 1
6 6 7 7 8 8 9 9
1 2 1 2 1 2 1 2
n6;1 n6;2 n7;1 n7;2 n8;1 n8;2 n9;1 n9;2 r1
0 0 0 0 0 0 1 0 -3
0 0 0 0 0 0 0 1 0
0 0 0 0 0 0 0 0 3
0 0 0 0 0 0 0 0 2
0 0 0 0 0 0 0 0 -1
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
-1 0 -1 0 0 0 0 0 0
0 -1 0 -1 0 0 0 0 0
0 0 1 0 1 0 -1 0 0
0 0 0 1 0 1 0 -1 0
0 0 0 0 0 0 0 0 0
0 0 0 0 1 -99 0 0 0
0 0 0 0 0 0 1 -39 0
0 0 -1 0 4 0 0 0 0
0 0 0 0 0 0 0 0 0
Naším ůkolem nyní je najít takovou hodnotu C, aby byla splněna nelineární dodarečná podmínka
Touto podmínkou je, že molový zlomek CO2 v proudech 5, 6 a 7 je stejný
Objektivní funkcí pak může být vztah objektivní funkce
n5;2/(n5;1 + n5;2) - n7;2/(n7;1 + n7;2) = 0 0.18
Ke stanovení takového C při jehož hodnotě je splněna objektivní funkce nám poslouží funkce Řešitel
Je v menu Data na okénku Analyza
1*E5+D5*$D$4
Nejdříve si na základě zadání zapíšeme základní parametry:
počet proudů 3
počet chemických reakcí 1
počet bloků 1
počet složek 5
IM Incidencní matice
bloky proudy reakce
1 2 3 r1
1 kotel 1 1 -1 1
TD Tabulka dat
složky proudy reakce
1 2 3 r1
1 CH4 1 0 1 -1
2 O2 0 1 1 -3
3 N2 0 1 1 0
4 CO2 0 0 1 1
5 H2O 0 0 1 2
SOUČIN.MATIC(C19:E23,TRANSPOZICE(ABS(C14:E13)))
2
2
2
1
1
Bilanční rovnice = počet nenulových prvků = 5
1 2 2 3 3 3 3
1 2 3 1 2 3 4
n1;1 n2;2 n2;3 n3;1 n3;2 n3;3 n3;4
1 1 1 0 0 -1 0 0 0
1 2 0 1 0 0 -1 0 0
1 3 0 0 1 0 0 -1 0
1 4 0 0 0 0 0 0 -1
1 5 0 0 0 0 0 0 0
entalpie #MACRO? ### ### -4.88 -3.74 -3.65 -4.97
O2,proud 0 -5.76 1 0 0 0 0
CH4.proud3 0 0 0 -249 1 1 1
přebytek O2 3.75 -1 0 0 0 0 0
#REF!
proud složka
1 1
3
5
n3;5 r1
0 -1 0
0 -3 0
0 0 0
0 1 0
-1 2 0
-4.27 ### 20
0 0 0
1 0 0
0 0 0
Výsledkový list-Reporting
Obecné údaje o projektu:
Datum:
Vypracoval:
Schválil:
Spaliny mají obsahovat maximálně 6 % obj. CO2. Voda odchází ve formě vodní páry ve spalinách a molární průtok
Vypočítejte: 1. Složení (mol.%) odcházejících spalin.
2. Objemový průtok (v m3h-1) vzduchu a jeho přebytek.
3. Konverzi methanu podle uvedené reakce.
Poznámka: Předpokládejte složení vzduchu 21 obj.% O2 a 79 obj.% N2. Konverze je podíl zreagovaného množství
3. Flowsheet:
3
1
KM
OÍ TS IEČL
2
4. Zadané parametry procesu:
R 8.31 kW.s.kmol-1.K-1
0°C 273.15 K
referenční proud 10 m3.h-1
5 °C
0.2 mPa
metan v odplynu 0 kmol/∑kmol
kyslík ve vzduchu 0.21 kmol/∑kmol
Přebytek vzduchu 25 %
6: Základ výpočtu:
bilancujeme: látkové množství kmol.s-1
7: Referenční proud:
Stechiometrické koeficienty:
látkové množství hmotnost indexy pro Thermodata
index Složky
1 CH4 -1 -16.04 63
2 O2 -3 -64 34
3 N2 0 0 31
4 CO2 1 44.01 48
5 H2O 2 36.03 22
Pro výpočet molární entalpie složky jako funkce teploty budeme potřebovat
databázi, ve které najdeme potřebné údaje
Pro naše potřeby vystačíme s databází Thermodata
vzduch
spaliny
KOTE
L
metan
metan
eplotě 50oC a tlaku 0,2 MPa.
Pro každý blok máme tolik bilančních rovnic složek, kolik složek se vyskytuje v daném bloku.
Pro každý blok máme jednu entalpickou bilanci.
Pro látkové množství a blok l bude mít tvar:
S C N
∑ incmat
i =1
i ;l ⋅ ni ⋅ ∑ xi; j ⋅ hi; j + ∑ nrk ⋅ hrk = Q
j=1 k=1
Index i označuje í proudy a index j složky.
Celkový počet proudů je S, celkový počet složek je C.
hi;j je molární entalpie složky j při teplotě a tlaku proudu i .
nrk je zdrojový proud k-té reakce a hrk je reakční entalpie této reakce.
Celkový počet nezávislých reakcí je N.
Q je energie vyměňovaná s okolím.
Všechny členy mají rozměr kW.
Pro hmotnostní bilanci bude mít entalpická bilance tvar :
S C hi; j N
· Pro zahrnutí směšovacích a zřeďovacích tepel, tepel tání, krystalizačních tepel je nutno odkázat na specializované databáz
Reakční teplo hr je možné vypočíst ze standardních slučovacích tepel – Hform a stechiometrických koeficientů nk;j které mají
C
hr = ∑ν j ⋅ Hformj
j=1
V naší databázi Enthalpy Data je Hform definováno tak, že z prvků vzniká složka v plynném stavu.
Pro informaci uvádíme internetovou adresu databaze DECHEMA www.ddbts.de
e to relativní veličina, její hodnotu vztahujeme k určitému stavu, pro který volíme entalpii složky jako nulovou. Tyto podmínky budeme naz
utné definovat neboť u ideálního plynu není entalpie funkcí tlaku.
naménkem) pro teplotu bodu varu. Na libovolnou jinou teplotu se přepočítá pomocí vztahu:
o Cp v kapalné fázi.
at na specializované databáze.
koeficientů nk;j které mají pro reaktanty záporné znaménko a pro produkty reakce znaménko kladné. Pro jednu reakci:
Tyto podmínky budeme nazývat podmínky standardního stavu.
Adresa na NIST databasi Thermodata
http://webbook.nist.gov/chemistry/form-ser.html
Fe2O3 Fe
Solid Phase Heat Capacity (Shomate Equation) Solid Phase Heat Capacity (Shomate Equation)
Temperature
298.
(K)- 700. 700. - 1042.
Temperature
298.
(K)- 950. 950. - 1050.1050. - 2500.
A B C D E F G
Fe2O3 93.44 108.36 -50.86 25.59 -1.61 -863.21 161.07
Fe 18.43 24.64 -8.91 9.66 -0.01 -6.57 42.51
C*t2/2 + D*t3/3 −
alpy (kJ/mol)
py (J/mol*K)
ble browser.
1042. - 1100.
1100. - 1809.
298. - 1809.
H
-825.5
0
Problem formulation
2. Subject matter:
In absorption column "KOLONA" reacts a saturated water solution of kitchen salt with
a gas mixture of ammonia and carbon dioxide.
The reaction products are sodium bicarbonate and ammonium chloride.
Due to the low solubility of bicarbonate the liquid stream forms a suspension, the solid
phase being the undisolved sodium bicarbonate. Upon filtration and washing
in the continuous filter "FILTR" the filter cake is transported into the rotary kiln
"KALCINACE" where the bicarbonate is thermally decomposed into solid soda,
carbon dioxide and water vapor
3. Flowsheet:
4 6
K FILTRACE
O
N
V 7 8
E
R
Z
E 3 5
4. Process parameters :
salt processed 20
temperature of feed
brine
Carbon dioxide surplus in feed gas 25
stream 50
rest contents of ammonia in
tail gas 0.5
water content of the filter cake 30
degree of salt conversion 0.98
wash water as multiple of the
filter cake water
content n = 1
NaHCO
bicarbonate in filtrate corresponds to saturated solution of 3 0.08
saturated solution of NaCl 0.36
8. Recalculations
8. Chemical Reactions
Stoichiometric Coefficients
mass
component reaction 1 reaction 2
1 H2O -18.02 18.02
2 NaCl -58.44 0
3 CO2 -44.01 44.01
4 NH3 -17.03 0
5 NaHCO3 84.01 -168.02
6 NH4Cl 53.49 0
7 Na2CO3 0 105.99
t/day
°C
% vol.
% vol.
%mass
kg/kg H2O
kg/kg H2O
Process
Units Units
1 column
2 filter
3 kiln
comp.
5 1
comp.
7 1
stream comp.
1 2
+ H2O
mols
reaction 1 reaction 2
-1 1
-1 0
-1 1
-1 0
1 -2
1 0
0 1
Prepare a questionnaire for the Incidence Matrix.
IM Incidence Matrix.
process units streams
1 2 3 4 5 6 7
1 konverse
2 filtrace
3 kalcinace
Fill it in For stream entering the process unit -put 1, for stream leaving the process unit put -1, for
IM Incidence Matrix.
process units streams
1 2 3 4 5 6 7
1 konverse 1 1 -1 -1 0 0 0
2 filtrace 0 0 1 0 -1 1 -1
3 kalcinace 0 0 0 0 0 0 1
TD Table of Data
components streams
1 2 3 4 5 6 7
1 H2O
2 NaCl
3 CO2
4 NH3
5 NaHCO3
6 NH4Cl
7 Na2CO3
… and fill it in. Do not forget stoichiometric coefficients in the reaction columns
If the component is present in the considered stream, we place 1 in the corresponding cell. Otherwise we l
TD Table of Data
components streams
1 2 3 4 5 6 7
1 H2O 1 0 1 0 1 1 1
2 NaCl 1 0 1 0 1 0 0
3 CO2 0 1 0 1 0 0 0
4 NH3 0 1 0 1 0 0 0
5 NaHCO3 0 0 1 0 1 0 1
6 NH4Cl 0 0 1 0 1 0 0
7 Na2CO3 0 0 0 0 0 0 0
We need to know the dimensions of tis square matrix, which is equal to the number of unknowns - nX.
Number of bilances.
Generate the matrix BIL SOUČIN.MATIC(C39:K45,TRANSPOZICE(ABS(C16:K18)))
2 4 2
2 2 0
BIL = 2 0 1
2 0 0
1 3 1
1 2 0
0 0 1
Any relation between the concentrations of one component in two different phases is non-linear.Poměr mezi koncentracemi jedn
Matrix of coefficients Linear systém, square matrix, singular matrix, rank of matrix, inverse matrix, matrix pro
reactions
8 9 r1 r2
0 0 1 0
0 0 0 0
-1 -1 0 1
reactions
8 9 r1 r2
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE!
reactions
8 9 r1 r2
1 0 -18.02 18.02
0 0 -58.44 0
1 0 -44.01 44.01
0 0 -17.03 0
0 0 84.01 -168.02
0 0 53.49 0
0 1 0 105.99
knowns - nX.
X = A-1 x B
We form a basis for the Matrix of Coefficients. Its dimensions will be nX x nX.
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
Meaning of numbers in line 1 : EACH STREAM HAS AS MANY COLUMNS, AS THERE ARE COMPONENTS
The second line tells: WHAT COMPONENTS (Identification Number)
These two lines are auxiliary for the formation of notation (names) of the unknowns - third line.
The first column :NUMBER IN CELL DENOTES THE PROCESS UNIT -SUM OF CELLS WITH THE SAME N
The second column tells: WHAT COMPONENT (Identification Number)
Row
1 1 1 2 2 3 3
Column 2 1 2 3 4 1 2
1 2 3 m1;1 m1;2 m2;3 m2;4 m3;1 m3;2
1 1 0 0 0 0 0 0
1 2 0 0 0 0 0 0
1 3 0 0 0 0 0 0
1 4 0 0 0 0 0 0
1 5 0 0 0 0 0 0
1 6 0 0 0 0 0 0
2 1 0 0 0 0 0 0
2 2 0 0 0 0 0 0
2 5 0 0 0 0 0 0
2 6 0 0 0 0 0 0
3 1 0 0 0 0 0 0
3 3 0 0 0 0 0 0
3 5 0 0 0 0 0 0
3 7 0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
If the stream enters the process unit, we set the value of corresponding cell equal 1
If the stream leaves the process unit, we set the value of corresponding cell equal -1
Otherwise the cell keeps the original value of 0
A component has contact with a certain unit by means of as many stream as is the value of the correspondig cell in m
Row
1 proudy 1 1 2 2 3
Column 2 složky 1 2 3 4 1
1 2 3 m1;1 m1;2 m2;3 m2;4 m3;1
1 1 1 0 0 0 -1
1 2 0 1 0 0 0
1 3 0 0 1 0 0
1 4 0 0 0 1 0
1 5 0 0 0 0 0
1 6 0 0 0 0 0
2 1 0 0 0 0 1
2 2 0 0 0 0 0
2 5 0 0 0 0 0
2 6 0 0 0 0 0
3 1 0 0 0 0 0
3 3 0 0 0 0 0
3 5 0 0 0 0 0
3 7 0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
Rank of matrix (yellow region) must be equal to blnc. MRank(F78:AA91)= 14
The next page will present how to incorporate these data into the Matrix of Coefficients.
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
ELLS WITH THE SAME NUMBER = NUMBER OF COMPONENTS ENTERING OR LEAVING THIS PROCESS UNIT:
3 3 4 4 5 5 5 5 6 7
5 6 3 4 1 2 5 6 1 1
m3;5 m3;6 m4;3 m4;4 m5;1 m5;2 m5;5 m5;6 m6;1 m7;1
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
unit 2 (filter).
3 3 3 4 4 5 5 5 5 6
2 5 6 3 4 1 2 5 6 1
m3;2 m3;5 m3;6 m4;3 m4;4 m5;1 m5;2 m5;5 m5;6 m6;1
0 0 0 0 0 0 0 0 0 0
-1 0 0 0 0 0 0 0 0 0
0 0 0 -1 0 0 0 0 0 0
0 0 0 0 -1 0 0 0 0 0
0 -1 0 0 0 0 0 0 0 0
0 0 -1 0 0 0 0 0 0 0
0 0 0 0 0 -1 0 0 0 1
1 0 0 0 0 0 -1 0 0 0
0 1 0 0 0 0 0 -1 0 0
0 0 1 0 0 0 0 0 1 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0
OCESS UNIT:
7 8 8 9
5 1 3 7
m7;5 m8;1 m8;3 m9;7 r1 r2
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
7 7 8 8 9
1 5 1 3 7 Vektor pravých stran
m7;1 m7;5 m8;1 m8;3 m9;7 r1 r2 B
0 0 0 0 0 -18.02 0 0
0 0 0 0 0 -58.44 0 0
0 0 0 0 0 -44.01 0 0
0 0 0 0 0 -17.03 0 0
0 0 0 0 0 84.01 0 0
0 0 0 0 0 53.49 0 0
-1 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 -1 0 0 0 0 0 0
0 0 0 0 0 0 0 0
1 0 -1 0 0 0 18.02 0
0 0 0 -1 0 0 44.01 0
0 1 0 0 0 0 -168.02 0
0 0 0 0 -1 0 105.99 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
Reference Streamproud
stream component flowprùtok
1 2 0.12 kg/sec
Component Concentration
stream component composition
3 1 0.48 Tis formulation corresponds to the following algebraic equation.
This algebraic equation is introduced into the Matrix of Coefficients in the following way.
Transfer of tis information into the Matrix of Coefficients is very simple. Do not forget to control the signs !
upon rearrangement
B r2 B
0 0
0 0
0 0
0 0 0
B r2 B
0 0
0 0
0 0 0
Matrix of Coefficients
m1;1 m1;2 m2;3 m2;4 m3;1 m3;2 m3;5 m3;6 m4;3
1 0 0 0 -1 0 0 0 0
0 1 0 0 0 -1 0 0 0
0 0 1 0 0 0 0 0 -1
0 0 0 1 0 0 0 0 0
0 0 0 0 0 0 -1 0 0
0 0 0 0 0 0 0 -1 0
0 0 0 0 1 0 0 0 0
0 0 0 0 0 1 0 0 0
0 0 0 0 0 0 1 0 0
0 0 0 0 0 0 0 1 0
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 1 0 0 0 0 0 0 0
1 -2.8 0 0 0 0 0 0 0
0 0 -0.26 1 0 0 0 0 0
0 0 0 0 0 0 0 0 1
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0
0 -0.02 0 0 0 0 0 0 0
UČIN.MATIC(INVERZE(A4:V25),W4:W25)))
8 9
0.08 0
0 0
0.04 0
0 0
0 0
0 0
0 0.09
m8;3 m9;7 r1 r2 B
0 0 -18.02 0 0
0 0 -58.44 0 0
0 0 -44.01 0 0
0 0 -17.03 0 0
0 0 84.01 0 0
0 0 53.49 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 18.02 0
-1 0 0 44.01 0
0 0 0 -168.02 0
0 -1 0 105.99 0
0 0 0 0 0.12
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 1 0 0
m8;3 m9;7 r1 r2
0.04 0.09 0 0
Problem formulation
2. Subject matter:
Powder iron is produced by bringing at high temperatures into contact iron oxide and hydrogen in a REACTOR
Before entering the REACTOR fresh feed, which contains besides hydrogen a small percentage of carbon dioxide,
is mixed with recycled hydrogen in a MIXER.
The ratio between fresh feed and recycled hydrogen is fixed by the reglements of production.
Process gases leaving the reactor contain besides hydrogen and carbon dioxide also water, which is removed in the
SEPARATOR.
In order to prevent accumulation of carbon dioxide, part of the recycling gas is drawn of in
SPLITTER.
3. Flowsheet:
R
TO
RA
PA
SE
4
S PLITTE R
6
R
3
O
C
A
T
7
R
MIXER 8
9
1 2
4. Process parameters :
6. Common
7. Basis
Common 8.
Basis
Common
9. Basis
Common10.Basis
Common
11. Basis
Common12. Basis
Common Basis
7.Reference
7.Reference
Stream & Component
Stream
7.Reference
& Component
7.Reference
Flows
Stream &7.Reference
Flows
Component
Stream &7.Reference
Component
Stream
Flows &7.Reference
Component
Stream
Flows & Component
Stream
Flows & Component
Flows Flows
8. Recalculations
Stoichiometric Coefficients
emoved in the
objemové
objemové
List of process units
reactor
separator
splitter
mixer
As the first step we put down the basic parameters defined in the list Seting_Fe
number of streams 9
number of chemical reactions 1
number of process units 4
number of components 5
Respecting the recommended form, we put down the IM matrix ( incidence matrix) and the TD matrix(data table)
Scalar product of the matrix TD + number of reactions gives the number of unknowns
SOUČIN.SKALÁRNÍ(C21:K25)+1 17
Matrix product TD x IM will help us to determine the number of balance euations.
SOUČIN.MATIC(C21:K25,TRANSPOZICE(ABS(C13:K16)))
2 2 3 3
2 2 3 3
1 2 0 0
1 0 0 0
1 0 0 0
Reference stream.
stream componentflow
2 4 3.11 mol/sec
If we follow strictly the recommended procedure, we will generate a matrix , which is identic with the matrix shown on the nex
1 2 3 3 3 4 5 5
5 4 1 2 3 3 1 2
n1;5 n2;4 n3;1 n3;2 n3;3 n4;3 n5;1 n5;2
1 1 0 0 -1 0 0 0 0 0
1 2 0 0 0 -1 0 0 0 0
1 3 0 0 0 0 -1 0 0 0
1 4 0 -1 0 0 0 0 0 0
1 5 1 0 0 0 0 0 0 0
2 1 0 0 1 0 0 0 -1 0
2 2 0 0 0 1 0 0 0 -1
2 3 0 0 0 0 1 -1 0 0
3 1 0 0 0 0 0 0 1 0
3 2 0 0 0 0 0 0 0 1
4 1 0 0 0 0 0 0 0 0
4 2 0 0 0 0 0 0 0 0
ref.stream 0 1 0 0 0 0 0 0
CO2 in stream 8 0 0 0 0 0 0 0 0
CO2 in stream 9 0 0 0 0 0 0 0 0
stream7/stream8 0 0 0 0 0 0 0 0
supplementary 0 0 1 0 0 0 0 0
Supplementary relation 1 We place a new vector in the column onthe left of right sides vector.
The new vector has 1 in the last row, the rest are zeros.
2 The supplementary line in matrix A ha only zeros. We place 1 in an arbitrary cell.
3 We test (rank of matrix) the matrix on singularity.
4 In case of singularity try to place 1 elsewhere.
The right side is not represented by a vector, but by a matrix having two columns.
The solution has also the form of a two column matrix and not a vector.
reactions
9 r1
1 1
0 0
0 0
-1 0
reactions
9 r1
1 -3
1 0
0 3
0 2
0 -1
stream component
8 1
sides vector.
Now we must find such a value of constat C that would set the objective function to zero.
Tis objective function expresses the condition that mol fractions of CO2 are the same in streams 5,6 and 7.
The objective function might be written in tis form Objective function
n5;2/(n5;1 + n5;2) - n7;2/(n7;1 + n7;2) = 0 0.18
For finding such a value of C that sets the objective function equal to zero we apply the buillt in function SOLVER ( Řešitel)
Is to be found if you go to menu Data and open the window Analyza.
1*E5+D5*$D$4
2. Subject matter:
As a source of energy for heating a family house serves a pipe ovenwhere power-gas is mixed with air and burned.
(assume, that power-gas is pure CH4 )
Proces of combustion runs according the following stoichiometric equation
CH4 + 2 O2 = CO2 + 2 H2O
Dry air comes into the oven in surplus compared with the stoichiometry of the process.
3. Flowsheet:
3
1
K EMTÍ STILČ E
Q 20 kW
8. Recalculations
9. Chemical Reactions
reactants products
CH4 + 2· O2 = 2· H2O + CO2
Stoichiometric Coefficients
For calculation of molar enthalpies of individual components as a function of temperature we will use
a suitablae data-base where we could find the necessary information.
For our purposes we will use the data-base Thermodata.
Respecting the recommended form, we put down the IM matrix ( incidence matrix) and the TD matrix(data table)
Scalar product of the matrix TD + number of reactions gives the number of unknowns
SOUČIN.SKALÁRNÍ()+1 9
Matrix product TD x IM will help us to determine the number of balance euations.
SOUČIN.MATIC(C21:K25,TRANSPOZICE(ABS(C13:K16)))
2
2
2
1
1 Balance equations = number of non zero elements. 5
Matrix of Coefficient
1 2 2 3 3 3 3
1 2 3 1 2 3 4
n1;1 n2;2 n2;3 n3;1 n3;2 n3;3 n3;4
1 1 1 0 0 -1 0 0 0
1 2 0 1 0 0 -1 0 0
1 3 0 0 1 0 0 -1 0
1 4 0 0 0 0 0 0 -1
1 5 0 0 0 0 0 0 0
Enthalpy -0.7 -1.17 -1.17 -4.88 -3.74 -3.65 -4.97
O2 in steam 2 0 -5.76 1 0 0 0 0
CH4 in stream 3 0 0 0 -249 1 1 1
surplus O2 3.75 -1 0 0 0 0 0
#REF!
Component Flows
ratio stream component
3.75 1 1
3
5
n3;5 r1
0 -1 0
0 -3 0
0 0 0
0 1 0
-1 2 0
-4.27 -802.86 20
0 0 0
1 0 0
0 0 0
VERZE(C75:K83),L75:L83)
Problem formulation
2. Subject matter:
Provide data for design of the first stage of a reactor for sulphuric acid production.
Desired values of
adiabatic temperature
conversion
for a given catalyst ignition temperature
entering gas composition
overall pressure
3. Flowsheet:
2
REACTOR
4. Process parameters :
Composition of the gas on entering the reactor: The outlet is in agreement with chemical balance.
SO2 0.06
O2 0.15
N2 0.790
SO3 0.000
Input Stream Temperature T0 = 693.0 ° K
where T2 is Output Stream Temperature.
8. Recalculations
9. Chemical Reactions
Stoichiometric Coefficients
Stechiometric coefficients:
Thermodata
indexes component mols mass
35 1 SO2 -1 -64.06
34 2 O2 -0.5 -16
31 3 N2 0 0
37 4 SO3 1 80.06
Process Units
reactor
As the first step we put down the basic parameters defined in the list Seting_reactor
Respecting the recommended form, we put down the IM matrix ( incidence matrix) and the TD matrix(data table)
TD Data table
streams reactions
components 1 2 r1
1 SO2 1 1 -1
2 O2 1 1 -0.5
3 N2 1 1 0
4 SO3 0 1 1
Scalar product of the matrix TD + number of reactions gives the number of unknowns
SOUČIN.SKALÁRNÍ()+1
Matrix product TD x IM will help us to determine the number of balance euations.
SOUČIN.MATIC(C21:K25,TRANSPOZICE(ABS(C13:K16)))
2
2
2
1 Balance equations = number of non zero elements.
Reference Stream
stream component flow
1 1 1 mol.s-1
Component Concentration
stream component composition
1 1 0.06 mol/Σmol
1 2 0.15 mol/Σmol
Matrix of Coefficient
3 1 2 3
n1;1 n1;2 n1;3 n2;1 n2;2 n2;3
component 1 1 0 0 -1 0 0
2 0 1 0 0 -1 0
3 0 0 1 0 0 -1
4 0 0 0 0 0 0
reference stream 1 0 0 0 0 0
SO2 in stream 1 -1 0 0.08 0 0 0
O2 in stream 1 0 -1 0.19 0 0 0
enthalpic balance #NAME? #NAME? #NAME? #NAME? #NAME? #NAME?
Knowing the emperature and composition of the stream 2, we proceed by calculating both expresssions for K
0,5
X ⋅ n2 11524,4
K(X ) = 0,5 = #NAME? K (T ) = exp( −1
nx 2;1 ⋅ nx 2; 2 T
where X = r1/n1;1
n2 = Σn2;i
4
4
n2;4 r1
0 -1 0
0 -0.5 0
0 0 0
-1 1 0
0 0 1
0 0 0
0 0 0
#NAME? #NAME? 0
n2;4 r1
#NAME? #NAME?
11524,4
) = exp( −10,92) = 1.07
T
r SOLVER
1. Task definition
2. Subject matter:
3. Flowsheet:
S
R EP
E A
A R
1 K 2 5 A 4
T T
O O
R R
4. Process parameters :
recycle 5 1 10 mol.s-1
8. Recalculations
Basis of Calculation and Conversion of Specified Flows and Compositions
Conversion: does not take place
Incidence Matrix
stream reactor separator
1 2
1 1 0
2 -1 1
3 0 -1
4 0 -1
5 1 -1
r1 1 0
r2 1 0
missing equations may be represented by the mathematical models of the two reactions taking place in the reactor
Matrix of Coefficients:
Matrix generated by the Transform function is supplemented by
two last lines represent additional relations - chemical reactions r1 and r2 for CSTR
Solving a System of Equations Using Methods of Linear Algebra, with the Advantage of Using Excel
Vector of Solutions:
kmol.hod-1
n1 n2 nx2;1 nx2;2 nx2;3 n3 n4 n5 nr1 nr2
35.01 39.51 31.25 3.76 4.5 35.01 3.76 4.5 31.25 3.76
9.73 10.98 8.68 1.04 1.25 9.73 1.04 1.25 8.68 1.04
kg.hod-1
m1 m2 mw2;1 mw2;2 mw2;3 m3 m4 m5 mr1 mr2
7001.1 7902 6250 751.1 900.9 7001.1 751.1 900.9 6250 751.1
Target function
t hours F T K
1 16272.8 360
2 14099.1
3 13426.6
4 13129.4
5 12982.4
6 12910.4
7 12881.2
8 12878.9
9 12894.5
10 12922.6
11 12959.7
12 13003.7
13 13053
14 13106.4
15 13163
16 13222.4
17 13283.9
18 13347.3
19 13412.3
20 13478.5
Units
reactor R
separator S
n2;3 vps
0 0
0 0
-1 0
0 0
0 0
1 0
-1 0
0 31.25
0 0
0 0
Target Function Data
production of B 50000 tons.year-1
price of raw material A 1.5 $/kg
value of refuse C 0.3 $/kg
number of streams 5
number of chemical reactions 2
number of process units 2
number of components 3
Respecting the recommended form, we put down the IM matrix ( incidence matrix) and the TD matrix(data table)
TD Data table
components streams
component 1 2 3 4 5
1 A 1 1 0 0 1
2 B 0 1 1 0 0
3 C 0 1 0 1 0
Scalar product of the matrix TD + number of reactions gives the number of unknowns
SOUČIN.SKALÁRNÍ()+2
Matrix product TD x IM will help us to determine the number of balance euations.
SOUČIN.MATIC(C21:K25,TRANSPOZICE(ABS(C13:K16)))
2 2
2 2
1 2
We have the vector of right sides v.r.s.. It contains only zeros with the exception of the line for reference stream.
For every degree of freedom (nonlinear additional condition) we add to the left side of vector vrs a vector of zeros.
Thus arrizes a matrix B, having (degrees of freedom + 1) columns
Matrix of Coefficients
n 1;1 n2;1 n2;2 n2;3 n3;2
1; 1 1 -1 0 0 0
1; 2 0 0 -1 0 0
1; 3 0 0 0 -1 0
2; 1 0 1 0 0 0
2; 2 0 0 1 0 -1
2; 3 0 0 0 1 0
ref.stream n1;1 0 0 0 0 1
stream n5;1 0 0 0 0 0
0 0 0 1 0
Rank #MACRO?
n 1;1 n2;1 n2;2 n2;3 n3;2 n4;3
0°C = 273.15 K
e TD matrix(data table)
reactions
r1 r2
1 1
0 0
reactions
r1 r2
-1 0
1 -1
0 1
B
n4;3 n5;1 r1 r2
0 1 -1 0 0 0
0 0 1 -1 0 0
0 0 0 1 0 0
0 -1 0 0 0 0
0 0 0 0 0 0
-1 0 0 0 0 0
0 0 0 0 0 8.68
0 1 0 0 0 10
0 0 0 0 1 0
n5;1 r1 r2
Target Function Data
production of B 50000 tons.year-1
price of raw material A 1.5 $/kg
value of refuse C 0.3 $/kg
1 3
R 2
S 4
R
5
5
List of Blocks
1 reactor R
2 separator S
Incidence Matrix
stream reactor separator
1 2
1 1 0
2 -1 1
3 0 -1
4 0 -1
5 1 -1
r1 1 0
r2 1 0
Specification Table:
missing equations may be represented by the mathematical models of the two reactions taking place in the reactor
for the CSTR (continuous stirred tank reactor) we have
Matrix of Coefficients:
Matrix generated by the Transform function is supplemented by
two last lines represent additional relations - chemical reactions r1 and r2 for CSTR
#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
A #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
B #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
C #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
A #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
B #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
C #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
sum #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
n3 #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
reaction r1 0 -1 0 0 0 0 0 3.8281 0
reaction r2 0 -1 0 0 0 0 0 1 1.0437
Solving a System of Equations Using Methods of Linear Algebra, with the Advantage of Using Excel
Vector of Solutions:
kmol.hod-1
n1 n2 nx2;1 nx2;2 nx2;3 n3 n4 n5 nr1 nr2
### ### ### ### ### ### ### ### ### ###
kg.hod-1
m1 m2 mw2;1 mw2;2 mw2;3 m3 m4 m5 mr1 mr2
#MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO?
Target function
Application of Solver
minimum process costs ### $.hour-1
Equal to Min
By changing cells t D6
T D7
1 3
R 2
S 4
R
5
5
List of Blocks
1 reactor R
2 separator S
Incidence Matrix
stream reactor separator
1 2
1 1 0
2 -1 1
3 0 -1
4 0 -1
5 1 -1
r1 1 0
r2 1 0
Specification Table:
missing equations may be represented by the mathematical models of the two reactions taking place in the reactor
for the PFR (piston flow reactor) we have
Matrix of Coefficients:
Matrix generated by the Transform function is supplemented by
two last lines represent additional relations - chemical reactions r1 and r2 for CSTR
#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
A #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
B #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
C #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
A #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
B #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
C #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
sum #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
n3 #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
reaction r1 0 -1 0 0 0 0 0 16.9137 0
reaction r2 0 -1 0 0 0 0 0 0 1.0962
Solving a System of Equations Using Methods of Linear Algebra, with the Advantage of Using Excel
Vector of Solutions:
kmol.hod-1
n1 n2 nx2;1 nx2;2 nx2;3 n3 n4 n5 nr1 nr2
### ### ### ### ### ### ### ### ### ###
kg.hod-1
m1 m2 mw2;1 mw2;2 mw2;3 m3 m4 m5 mr1 mr2
#MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO?
Target function
Application of Solver
minimum process costs ### $.hour-1
Equal to Min
By changing cells t D6
T D7
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
0 0
0 0
Continuous Stirred Tank Reactor with Recycle Stream
1 3
R 2
S 4
R
5
5
List of Blocks
1 reactor R
2 separator S
Incidence Matrix
stream reactor separator
1 2
1 1 0
2 -1 1
3 0 -1
4 0 -1
5 1 -1
r1 1 0
r2 1 0
Specification Table:
missing equations may be represented by the mathematical models of the two reactions taking place in the reactor
for the CSTR (continuous stirred tank reactor) we have
Matrix of Coefficients:
Matrix generated by the Transform function is supplemented by
two last lines represent additional relations - chemical reactions r1 and r2 for CSTR
#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
A #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
B #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
C #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
A #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
B #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
C #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
sum #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
n3 #MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?#MACRO?
reaction r1 0 -1 0 0 0 0 0 8.7715 0
reaction r2 0 -1 0 0 0 0 0 1 1.1202
Solving a System of Equations Using Methods of Linear Algebra, with the Advantage of Using Excel
Vector of Solutions:
kmol.hod-1
n1 n2 nx2;1 nx2;2 nx2;3 n3 n4 n5 nr1 nr2
### ### ### ### ### ### ### ### ### ###
kg.hod-1
m1 m2 mw2;1 mw2;2 mw2;3 m3 m4 m5 mr1 mr2
#MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO? #MACRO?
Target function
t hours F T K
1 16272.8 360.00
2 14099.1
3 13426.6
4 13129.4
Target function
5 12982.4 16500
6 12910.4
16000
7 12881.2
8 12878.9 15500
9 12894.5 15000
10 12922.6
11 12959.7 14500
12 13003.7 14000
13 13053.0
14 13106.4 13500
F
15 13163.0 13000
16 13222.4
12500
17 13283.9
18 13347.3 12000
19 13412.3
11500
20 13478.5
11000
10500
10000
0 2.5 5 7.5 10 12.5 1
mean residence time
in the reactor
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
#MACRO?#MACRO?
0 0
0 0
unction
10 12.5 15 17.5 20
residence time