A.

CONVERSION REACTOR
I. L thuyt
CONREATOR l 1 thit b chuyn i n gin. N khng cn thng tin ng lc
hay thng s tnh ton thit b no bit trc. chuyn ha ca cc phn t c bn
c nh trc v h c t lng s quyt nh cho vic to thnh cc cu t khc.
Nhng s chuyn i c th c c trng bi hm nhit nh sau:
Trong :
T l nhit
C0, C1, C2 l hng s
B phn chuyn i (fractional conversion) c th da trn c s lng ca thnh
phn c bn trong dng nhp liu vo thit b v hp phn c bn ca c th tham gia
phn ng c trng. Khi nim khun mu thch hp cho nhng chuyn i c tnh cht
c trng trong chui phn ng song song, cn nhng nhn nh gn y thch hp hn
cho nhng chui phn ng ni tip. PRO/II s chn nhng chuyn i da trn dng
vo nh l nhng chun chuyn i mc nh cho phn ng n gin, song song v
chui phn ng song song. Chuyn i da trn phn ng l chuyn i mc nh cho
chui phn ng. Nu c nhn nh r rng th qui trnh (nhp liu v phn ng) chn
t kha CBASIS s c s dng. Trong 1 s trng hp th gi tr ca phn on
chuyn i nhp vo vi cu lnh CONVERSION hoc CBASIS th cng c hiu nh
l 1 mc nh c bn.
Thit b phn ng c th hot ng ng nhit mt nhit cho trc hoc on
nhit hoc nhit cp liu. Vi thit b on nhit, d liu nhit ca phn ng phi
c cho trc hoc c tra trong s tay. Gii hn nhit c th c ch r. Vi
thit b phn ng ng nhit th d kin nhit ca phn ng ty chn. Nu nhit
c cung cp th phi tnh ton nhit ti.
Nhng phn ng ng thi vi s lng ln c th c cn nhc.
Thit b phn ng c th c dng lm m hnh chuyn ha v thit b oxi ha
khng hon ton metan bng khng kh. Trong trng hp ny phn on chuyn i c
th c ch r cho s dch chuyn v phn ng metan ha.

Mc ch ca phn ng dch chuyn l m phng s bin i ca CO thnh CO2

vi s hin din ca hi nc.

Methanators c d dng chuyn CO2 d t phn ng chuyn dch to thnh

metan. Loi phn ng ny ging phn ng chuyn dch nhng c 2 cng phn ng ng
thi.

II. Bi ton:
Mi quan tm n vic sn xut hydro t hydrocarbon tng ln ng k trong thp nin
va qua. Sn xut hiu qu hydro l m cng ngh y ha hn, lin quan trc tip n
thit b bin i nhin liu thnh nng lng. Vic bin i nhin liu thnh hydro c th
c thc hin bng cch oxy ha khng hon ton. Phng php oxy ha khng hon
ton da vo phn ng ca nhin liu, th d methane vi khng kh sn xut oxyt
carbon v hydro.

CH4 + O2 CO + 2H2
CH4 + O2 CO2 + 2H2

Hy xy dng mt m hnh biu din s oxy ha khng hon ton ca methane sn

xut hydro.

M t bi ton:
Bc 1: To dng bn s qu trnh (thit b, dng)

Bc 2: Xc nh danh mc cc cht thnh phn.

Click chut vo biu tng
Nhp cc cht thnh phn.

trn thanh cng c chn cc cht thnh phn.

Hnh 1: Ca s Component Selection

Hnh 2: Ca s Component Selection List/Search

Hnh 3: Ca s Component Selection

Bc 3: Xc nh phng php nhit ng v phn ng.

Xc nh d liu nhit ng
Click chut vo biu tng
trn thanh cng c chn phng php nhit ng.
Trong ca s Thermdynamic Data (H4):
Chn Most Commonly Used trong danh mc c nhn Category.
Chn h nhit ng Peng-Robinson t hp danh mc Primary Method.
Click Add xc nh phng php nhit ng i vi h ang xt.

Hnh 4: Ca s nhp d liu nhit ng hon tt.

 Xc nh phn ng
Click vo biu tng

trn thanh cng c.Ca s Reaction Data s hin ra.

Hnh 5: Ca s Reaction Data

_ Click vo th Enter Data .

_ Click vo Reactants = Products nhp h s tng ng.

Hnh 6: Ca s Reaction Components

_ Click vo th OK tip tc. Ca s Reaction Definitions hin ra.

Hnh 7: Ca s Reaction Definitions

Bc 4: Thit lp d liu i vi dng.

Chn S1 bng cch click i chut vo nhn nhn din identifier c vin
.Ca s Stream Data s xut hin.
Nhp d liu v lu lng v thnh phn ca dng:
_ Click chut vo nt bm Flowrate and Composition.
_ Thit lp gi tr i vi lu lng tng ca Dng bng cch click chut
vo nt bm ratio Total Fluid Flowrate trong vng Fluid Flowrate Specification v
nhp gi tr bng 100.
_ Chn th nguyn l Kg.mol/hr chn th tch ca kh bng cch click
chut vo nt bm UOM hin ra ca s Convert Unit Measure.

Hnh 8: Ca s Convert Unit Measure

_ Click chut vo Change Units quay li ca s Stream Data Flowrate and Composition.
_ Nhp thnh phn ca methane l 100% dng 1.

Thit lp nhit v p sut ca dng:

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_ Click chut vo mi tn hng xung trong vng d liu First

Specification v chn Temperature option.
_ Nhp gi tr nhit l 25.
_ Chn th nguyn l oC chn nhit ca kh bng cch click chut
vo nt bm UOM hin ra ca s Convert Unit-of- Measure.

Hnh 9: Ca s Convert Unit Measure

_ Tip theo chn Preasure option t danh mc ri (drop-dowm) Second

Specification v nhp gi tr l 2 bar.
_ Chn th nguyn l bar bng cch click chut vo nt bm UOM
hin ra ca s Convert Unit Measure.Chn bar.

Hnh 10: Ca s Convert Unit Measure

_ Click chut vo nt bm OK tip tc.

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Hnh 11: Ca s nhp d liu dng 1 hon tt.

Hnh 12: Ca s nhp d liu dng 1 hon tt.

Chn S2 v nhp d liu dng tng t vi nhng thng s nh sau:
_ Nhit 25oC.
_ p sut 2 bar.
_ Lu lng tng bng 260 kg.mol/hr
_ Thnh phn nhp liu N2 79%, v O2 l 21%.

Hnh 13: Ca s nhp d liu dng 2 hon tt.

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Hnh 14: Ca s nhp d liu dng 2 hon tt.

Bc 5: Thit lp d liu i vi thit b.

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_ Thc hin vi thit b Conversion reactor c nhn l R1.

_ Click i chut vo biu tng Conversion reactor trn s PDF th hin
ra ca s chnh v nhp d liu vi thit b.
_ Trong ca s Conversion reactor, chn Methanation trong hp danh mc
Reactor Set Name.
_ Khng cn min no b vin cn st li phi nhp d liu trong ca s
nhp liu ang thao tc.

Hnh 15: Ca s Conversion reactor

_ Click chut vo nt bm OK tip tc.

Bc 6: Chy m phng; R sot kt qu m phng.

Click
trn thanh cng c ca s chnh bt u thc hin vic tnh ton .
Mu ca biu tng trn s chuyn sang xanh da tri .
Click chut vo Messages trn bng cng c di ng Run hin ra ca s
Messages hin th kt qu bo co :

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13

B. PLUG FLOW REACTOR

I/ L thuyt
1/ Khi nim:
Thit b phn ng ng dng (TBPU dng ng, TB y l tng - Plug Flow Reactor,
PFR) l mt dng thit b phn ng lin tc. Cu to hnh ng. Nguyn liu c nhp
vo mt u, sn phm ra u kia.

2/ c im
Thit b thng hot ng trng thi n nh. Dng cht phn ng chy theo mt dng
u n dc theo ng phn ng, khng c s khc bit v tc ti bt k im no
trong thit b.
Tnh cht ca dng chy thay i t im ny n im khc ch do qu trnh phn ng
do khng c s khuy trn theo phng dc trc.
Tnh cht ca hn hp ti mt v tr trong thit b l khng i theo thi gian. V gi
thit tnh cht ca cc phn t trn cng mt tit din l ging nhau.
c im v gi thit gip thit b mang tnh l tng, cc gi tr ch cn ph
thuc vo hnh dng thit b phn ng v cc iu kin ca dng chy.

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3/ u nhc im
u :
- X l c th tch ln
- Cng mt thi gian phn ng, TB cho sn phm u ra tt hn TB gin on
Nhc :
- Kh kim sot nhit , d hnh thnh cc gradien nhit khng mong mun
- Chi ph bo tr cao
4/ ng dng
Thit b phn ng dng ng thng c ng dng trong cc trng hp sau :
- Cn mt h phn ng ln
- Phn ng xy ra nhanh chng
- Phn ng ng th pha lng hoc kh
- Phn ng xy ra nhit cao
- Sn xut lin tc
5/ Cng thc
a) Cn bng vt cht c bn cho mt phn t th tch dV
Lng tc cht vo phn t th tch - Lng tc cht ra phn t th tch - Lng cht
phn ng trong phn t th tch = Lng cht cn trong phn t th tch (phng trnh *)

Cn bng vt cht cho cu t A

Lng cht A nhp vo = Lng cht A ly ra + Lng cht A chuyn ho
( V qu trnh n nh, khng c lng A cn tn li)
Lng cht A nhp vo : FA0 (mol/thi gian)
chuyn ho A : XA
Lng cht A chuyn ho : (-rA)V (mol/thi gian)
Xt phng trnh (*)
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S hng 1 : FA0(1-XA) t
S hng 2 : FA0(1-XA-XA) t
S hng 3 : (-rA)Vt
S hng 4 : 0
Vy :
FA0(1-XA) t - FA0(1-XA-XA) t - (-rA)Vt = 0
Thu gn :
FA0XA - (-rA)V = 0
Khi V 0

Tch phn 2 v phng trnh, ta c thi gian lu biu kin

b) Cn bng nng lng
Nng lng trong cc dng vo phn t th tch - Nng lng trong cc dng ra phn t
th tch Nng lng trao i vi mi trng bn ngoi = Nng lng tch t trong
phn t th tch (**)
Sut lng tng cng ca dng : mt (kg/thi gian)
Enthalpy tnh bng kJ/kg
H s truyn nhit tng qut K
Din tch b mt truyn nhit S
Vy phng trnh (**)
mtHt - mt(H + H)t + KS(Tn - T) t = 0
Thu gn :
- mtH + KS(Tn - T) = 0
Xt s bin i enthalpy do s bin i nhit CpT v nhit phn ng Hr. XA
H = CpT + Hr. XA.
Khi V 0

II/ M phng vi Pro\II:

1. Bi ton:
M phng qu trnh tng hp metyl acetat, tnh chuyn ha ca phn ng vi
nhng thng s cho trc:

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Vi kf l hng s phn ng thun.

kb l hng s phn ng nghch
Cc gi tr hng s:
Cc thng s m phng:
Nhp liu:
Nhit : 770C
p sut: 1kg/cm2
Sut lng:
Metanol: 280Kg.mol/h
Acid Acetic : 280Kg.mol/h
Thit b phn ng:
ng knh trong 1000mm
Chiu di 20m
Nhit c nh: 770C
2. M phng:
a. Chun b:
- a qu trnh m phng v h n v METRIC:
1/ Click vo icon Unit of Mesure
2/ Click vo initialization from UOM library, chn METRC- SET 1

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- Thng bo cc cu t trong phn ng:

- V thit b PFR ch thc hin phn ng gia cc cht pha kh hoc long nn ta
phi thay i cu trc pha

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1/ Ti component phase t chn Vapor-liquid

-Property estimation method:

Chn h NRTL ( single phase), bm Modify
Vapor fugacity: Hyden-Oconnel
Vapor Enthalpy: SRK- modified- Panag.

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Chn calculate transport property

Nhp d liu:
Ta nhp c 2 phn ng thun v nghch cho reaction set 1

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-Nhp gi tr hng s cn bng cho mi phn ng:

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Thit lp cc dng v thit b phn ng trn pro\II:

- Nhp cc gi tr dng vo
- Nhp thng s kch thc thit b phn ng
- Nhp gi tr nhit lm vic ca thit b

Bm Run v xem kt qu m phng:

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Plug Flow Reactor 'R1'

<PRE>
UNIT 1, 'R1'
OPERATING CONDITIONS
Reactor Flow Type
Open Pipe
Thermal Specification Type
Fixed Temperature
Duty, M*KCAL/HR
1.4471
Total Heat of Reaction at 25.00 C, M*KCAL/HR
-1.1074
Tubes
1
Diameter, MM
1.00E+03
Length, M
20.0000
Total Volume, M3
15.7080
Residence Time, sec
1924.40
Maximum Velocity at 1.00 M from Inlet, M/sec
0.0104
Pressure Drop From Feed Stream, KG/CM2
0.0000
REACTING SIDE
Inlet
Outlet
--------------------Feed
S1
MIXED Product
S2
Temperature, C
77.00
77.00
Pressure, KG/CM2
1.0000
1.0000
REACTION DATA
--------- Rates, KG-MOL/HR ---------- Fraction
Component
Feed
Change
Product Converted
------------------------------ ----------- ----------- ----------1 ACETACID
280.0000 -232.1156
47.8844
0.8290
2 METHALC
280.0000 -232.1156
47.8844
0.8290
3 MACTAT
0.0000 232.1156 232.1156
4 H2O
0.0000 232.1156 232.1156
Total

560.0000

0.0000

KG-MOL/HR

560.0000
Fraction
23

Base Component
-------------------1 ACETACID
3 MACTAT

Reaction Converted
Converted
----------- --------------------1
918.6917
3.2810
2
686.5761

REACTOR MASS BALANCE

----------- Rates, KG/HR ------------ Fraction
Component
Feed
Change
Product Converted
------------------------------ ----------- ----------- ----------1 ACETACID
16814.7171 -13939.1357 2875.5814
0.8290
2 METHALC
8971.8051 -7437.4852 1534.3200
0.8290
3 MACTAT
0.0000 17194.9930 17194.9930
4 H2O
0.0000 4181.6275 4181.6275
Total

25786.5222

0.0000 25786.5218

REACTOR PROFILES
-- Component Mole Fractions vs. Distance from Inlet
Distance
1
3
2
4
M
ACETACID MACTAT METHALC
H2O
----------- ----------- ----------- ----------- ----------0
0.0000 0.50000000 0.00000000 0.50000000 0.00000000
1
2.0000 0.07231553 0.42768447 0.07231553 0.42768447
2
4.0000 0.08511388 0.41488612 0.08511388 0.41488612
3
6.0000 0.08549690 0.41450310 0.08549690 0.41450310
4
8.0000 0.08550757 0.41449243 0.08550757 0.41449243
5 10.0000 0.08550785 0.41449215 0.08550785 0.41449215
6 12.0000 0.08550788 0.41449212 0.08550788 0.41449212
7 14.0000 0.08550788 0.41449212 0.08550788 0.41449212
8 16.0000 0.08550786 0.41449214 0.08550786 0.41449214
9 18.0000 0.08550788 0.41449212 0.08550788 0.41449212
10 20.0000 0.08550787 0.41449213 0.08550787 0.41449213
</PRE>

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