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CACB
0.5
C
C
1.5
K
eq
(1 +K
A
C
A
+K
B
C
b
))
1.5
where:
ks = surface reaction rate constant = 1.2x10
13
exp(- 87900/RT) in (gmole/g catalyst)
1.5
/hr (1a)
KA = equilibrium adsorption constant = 5.1x10
-13
exp(97500/RT) in g catalyst/gmole (1b)
KC = equilibrium adsorption constant = 1.6x10
-16
exp(119000/RT) in g catalyst/gmole (1c)
Keq = equilibrium constant
CA = IBTE concentration in mole/l
CB = MEOH concentration in mole/l
CC = MTBE concentration in mole/l
3
Al-J arallah, A.M., M.A.B. Siddiqui, and A.K.K. Lee, 1988, Kinetics of Methyl Tertiary Butyl Ether Synthesis Catalyzed by Ion Exchange
Resin, Can. J . Chem. Eng., 66, 802-807.
10
Ki neti c Data
In the Procedure Data category of input, the PROCEDURE type of RXKINETIC is selected to
denote that the procedure will be used in the Reactive Distillation column model. In addition,
process data, and real and integer variables are defined:
47
Keyword
Syntax
PROCEDURE DATA
PROCEDURE(RXKINE) ID=ALJD,NAME=Al-Jarallah
PDATA GCAT , RXFACT
REAL KS , KA , KC , KALJ , KREH1 , KREH2 , KIZQ , KEQREF
INTEGER IBTE , MEOH , MTBE
Next, the indices for the components are set, a value is given for the gas constant in J/gm-mole
K, and the basis for the temperature values in the procedure is set to an absolute basis. In
addition, the temperature and composition rate derivatives are initially set equal to zero.
CODE
$
$ INITIALIZE DATA:
$ SET INDEXES FOR COMPONENTS
$ DEFINE GAS CONSTANT IN Joules/gm-mole K
$ Note: R could have been retrieved in input units by R=RGAS.
$ However, since the reaction basis wont change, and
$ RGAS will change with the default units, this
$ eliminates one possible source of error.
$ Initialize the local variable TK to the absolute temperature.
$ Note: The temperature basis for the flowsheet must be Centigrade
$ or Kelvin.
$ Set temperature and composition derivatives to zero.
$
IBTE = 6
MTBE = 7
MEOH = 8
R = 8.314
TK = RTABS
DO 1000 I1 = 1,NOR
DRDT(I1) = 0.0
DO 1000 I2 = 1,NOC
1000 DRDX(I2,I1) = 0.0
The surface reaction rate constant, ks, and the equilibrium adsorption constants, KA, and KB,
are calculated using the expressions given previously as (1a), (1b), and (1c).
KS = 1.2E+13*EXP(-87900.0/(R*TK))
KA = 5.1E-13*EXP( 97500.0/(R*TK))
KC = 1.6E-16*EXP(119000.0/(R*TK))
Next, the derivatives of these constants are computed and are used later on in calculating the
rate derivatives.
$
DKSDT = KS * 87900.0 / R / (TK*TK)
DKADT = KA * (-1.0) * 97500.0 / R / (TK*TK)
DKCDT = KC * (-1.0) * 119000.0 / R / (TK*TK)
Then the bulk concentration of components A, B, and C per gram of catalyst (RHOA, RHOB,
and RHOC) are determined from the liquid mole fractions of the components (XLIQ), the density
of the liquid, and the catalyst loading (GCAT) in g/l. Note that the liquid density, DENS, obtained
directly from PRO/II using the predefined variables, RLMRAT and RLVRAT, is in the user-speci-
fied units of kg-moles/m
3
(SI units). Our basis for calculations is gm-moles/l and the conversion
factor between these kg-moles/m
3
and gm-moles/l is 1.0. Also, note that the value of GCAT used
here is 12.4 g/l. This value is used because it is the catalyst loading at which data for the
Al-Jarallah rate equation was collected.
11
GCATX = 12.4
DENS=RLMRAT/RLVRAT
RHOA=(XLIQ(MEOH)*DENS/GCATX)
RHOB=(XLIQ(IBTE)*DENS/GCATX)
RHOC=(XLIQ(MTBE)*DENS/GCATX)
Expressions for the equilibrium constant and its derivative as functions of temperature are
provided based on equilibrium data published by Al-Jarallah et al.
KALJ = EXP(-17.31715+(7196.776/TK))
$
DKALJDT = - KALJ * 7196.776 / (TK*TK)
Then the reaction rate and rate derivatives with respect to temperature and composition are
determined.
$
$ -------- Calculate reaction rate and derivatives by terms
$ -------- Units - RATE - gram-mole / gram catalyst / hr.
$
$ Denominator & derivatives.
$
RDEN = 1.0 + ( KA*RHOA ) + 0.0 + ( KC*RHOC )
DRDDT = RHOA*DKADT + 0.0 + RHOC*DKCDT
DRDDME = KA/GCATX*DENS
DRDDIB = 0.0
DRDDMT = KC/GCATX*DENS
$
$ First factor in rate equation.
FACT1 = KS *KA/RDEN
DFAC1DT = DKSDT*KA/RDEN + KS*DKADT/RDEN - KS*KA/RDEN**2 * DRDDT
$
$ Second factor in rate equation.
FACT2 = RHOA*RHOB**0.5 - RHOC**1.5/KALJ
DFAC2DT = 0.0 + RHOC**1.5/KALJ**2 * DKALJDT
$
$ Combine terms to calculate rate and derivatives.
$
$ ---- Rate equation (rate per one gram of catalysis).
RATE = FACT1 * FACT2
$
$ ---- Rate temperature derivative.
DRDT(1) = DFAC1DT * FACT2 &
+ FACT1 * DFAC2DT
$ ---- Rate composition derivatives.
DRDX(MEOH,1) = -KS*KA/RDEN**2 * DRDDME * FACT2 &
+ FACT1 * (RHOB**0.5/GCATX*DENS)
DRDX(IBTE,1) = -KS*KA/RDEN**2 * DRDDIB * FACT2 &
+ FACT1 * (RHOA/2.0/RHOB**0.5/GCATX*DENS)
DRDX(MTBE,1) = -KS*KA/RDEN**2 * DRDDMT * FACT2 &
- FACT1 * (1.5* RHOC**0.5/GCATX/KALJ*DENS)
It is important to note, however, that the rate and rate derivatives calculated above are computed
on a basis of 1 gram of catalyst. The reactive distillation algorithm requires that these values
(RRATES, DRDT, and DRDX) be supplied on a unit reaction volume basis. Therefore, the
rate and rate derivatives are multiplied by the grams of catalyst per unit volume, GCAT.
12
$
$ -------- Convert rate equation and derivatives to a straight volume basis
$ -------- by multiplying the base rate by the grams of catalyst/unit volume.
$ -------- The rate is returned in input units, kg-moles/cubic meter/hour.
$
RRATES(1) = GCAT * RXFACT * RATE
$
DRDT(1) = GCAT * RXFACT * DRDT(1)
$
DRDX(MEOH,1) = GCAT * RXFACT * DRDX(MEOH,1)
DRDX(IBTE,1) = GCAT * RXFACT * DRDX(IBTE,1)
DRDX(MTBE,1) = GCAT * RXFACT * DRDX(MTBE,1)
RETURN
Once the column is converged, the top and bottom product compositions are known. Exchanger
(HX-2B) is now simulated for heat exchange between the column feed (see HX-2A) and the
bottom product (stream 7). The duty in this exchanger is set equal to the duty in exchanger
HX-2A. The cooled hot side fluid is the MTBE product (stream 8).
Pump P-1 pumps the liquid distillate (stream 6) at a pressure of 827 KPa to the methanol recovery
section.
81
Keyword
Syntax
HX UID=HX-2B, NAME=FEED-BTMS-B
HOT FEED=7, L=8, DP=34.5
DEFINE DUTY AS HX=HX-2A DUTY
52
Keyword
Syntax
PUMP UID=P-1, NAME=T-1 OVHD
FEED 6
PROD L=6P
OPER PRES=827, EFFI=65
A calculator (CONVERSION) is set up to compute the conversions of IBTE and MEOH to MTBE
in the reactive distillation column itself.
121
Keyword
Syntax
& Calculate RXDIST conversions.
CALCULATOR UID=CONVERSION, NAME=CONVERSION OF IBTE-MEOH TO MTBE
RESULT 1 , IN - MEOH / 2 , IN - IBTE / 3 , IN - MTBE / &
4 , OUT - MEOH / 5 , OUT - IBTE / 6 , OUT - MTBE / &
20 , IBTE CONV /21 , MEOH CONV
DEFINE P(1) AS STREAM=4 RATE(M) COMP=8 $ MEOH
DEFINE P(2) AS STREAM=4 RATE(M) COMP=6 $ IBTE
DEFINE P(3) AS STREAM=4 RATE(M) COMP=7 $ MTBE
DEFINE P(4) AS STREAM=6 RATE(M) COMP=8 $ MEOH
DEFINE P(5) AS STREAM=6 RATE(M) COMP=6 $ IBTE
DEFINE P(6) AS STREAM=6 RATE(M) COMP=7 $ MTBE
DEFINE P(7) AS STREAM=7 RATE(M) COMP=8 $ MEOH
DEFINE P(8) AS STREAM=7 RATE(M) COMP=6 $ IBTE
DEFINE P(9) AS STREAM=7 RATE(M) COMP=7 $ MTBE
PROCEDURE
$ ----- LOAD RATES
R( 1) = P( 1)
R( 2) = P( 2)
R( 3) = P( 3)
R( 4) = P( 4) + P( 7)
R( 5) = P( 5) + P( 8)
R( 6) = P( 6) + P( 9)
$ ----- CALCULATE CONVERSION
R(20) = ( R(2) - R(5) ) / R(2)
R(21) = ( R(1) - R(4) ) / R(1)
$ ----- DISPLAY RESULTS
DISPLAY R( 1: 9 )
DISPLAY R( 20:21 )
RETURN
13
Methanol Recovery
The methanol recovery section of the process is shown in Figure 4.
Figure 4: Methanol Recovery Section
The methanol-C4s azeotrope (stream 6P) is delivered by pump P-1 to heat exchanger HX-3
where it is cooled to 38 C against cooling water (CW). The exchanger also calculates the utility
(CW) requirement given a CW delivery temperature of 16 C and a return temperature of 32 C.
The cooled process stream is fed to the bottom of the water wash column (T-2).
81
Keyword
Syntax
HX UID=HX-3, NAME=COOLER
HOT FEED=6P, L=9, DP=34.5
OPER HTEMP=38
UTIL WATER, TIN=16, TOUT=32
79
Keyword
Syntax
COLUMN UID=T-2, NAME=WATER WASH
PARA TRAY=5, LLEX=25
FEED 9,5 / 10,1
PROD OVHD=11, BTMS=12,185
PSPEC TOP=792
ESTI MODEL=SIMPLE
METHOD SET=S2
Column T-2 is simulated as a liquid-liquid extractor with 5 theoretical trays. Recirculating wash
water is fed to the top of the column. A top pressure specification of 792 KPa is given. This
column uses the VLLE SRK thermodynamic set (S2) defined previously in the Thermodynamic
Data Category of the input file.
The raffinate leaves the top of the column (stream 11) and contains the unreacted and non-
reactive C4s. The extract phase (stream 12) exits at the bottom. It enters the cold side (HX4A)
of the feed-bottoms heat exchanger where it is warmed to 99 C against the recycle wash water
(stream 21) which in turn is cooled (in unit HX-4B described later on).
81
Keyword
Syntax
HX UID=HX4A, NAME=FEED-BTMS
COLD FEED=12, L=13, DP=34.5
OPER CTEMP=99
14
Valve V-1 drops the pressure of the heated methanol-water stream (13) to 241 KPa generating
a mixed phase stream (14) which is adiabatically flashed in unit D-1. The vapor phase (stream
15) containing the dissolved hydrocarbons which have been released is vented as a flare gas;
the liquid phase (stream 16) is pumped (P-2) to the methanol column to recover methanol.
53
Keyword
Syntax
VALVE UID=V-1, NAME=VALVE
FEED 13
PROD M=14
OPER PRES=241
51
Keyword
Syntax
FLASH UID=D-1, NAME=SEPARATOR
FEED 14
PROD L=16, V=15
ADIA
52
Keyword
Syntax
PUMP UID=P-2, NAME=FEED PUMP
FEED 16
PROD L=17
OPER EFFI=65, PRES=690
The methanol column (T-3) is simulated with 20 theoretical trays. The feed (stream 17) enters
on tray 10. The column top pressure is 138 KPa; the pressure drop through the column is 34.5
KPa. A TFIX type condenser operating at 30 C and 103.5 KPa is specified. The separation of
methanol from water is readily solved using the I/O algorithm and conventional IEG. The
performance specifications are 99.5% recovery of methanol in the overhead product and 99.95%
recovery of water in the bottoms product. Tray rating calculations are done for this column for
610 mm diameter sieve trays throughout the column.
72
Keyword
Syntax
COLUMN UID=T-3, NAME=MEOH COLUMN
PARA TRAY=20, IO=10
FEED 17,10
PROD OVHD=19, BTMS=18,182
PSPEC TOP=138, DPCOL=34.5
DUTY 1,1 / 2,20
COND TYPE=TFIX, PRES=103.5, TEMP=30
VARY DUTY=1,2
ESTI MODEL=CONV, RRATIO=10
SPEC STRM=19, COMP= 8, RATE, DIVIDE, &
STRM=17, COMP= 8, RATE, VALUE=0.995
SPEC STRM=18, COMP=10, RATE, DIVIDE, &
STRM=17, COMP=10, RATE, VALUE=0.9995
TRATE SECTION(1)=2,19, SIEVE, DIAMETER=610
A calculator (CAL1) computes the total loss of water as a result of carry over with the C4s (stream
11), the vent gas (stream 15) and by consumption in the reactor. This total quantity is the amount
of make-up water required. The flowrate of the make-up water stream (MKUP) is established
through a procedure call to the PRO/II stream function SRXSTR.
121
Keyword
Syntax
CALC UID=CAL1, NAME=MAKEUP
SEQUENCE STREAM=MKUP
DEFINE P(1) AS STRM=11, COMP=10, RATE $ H2O IN C4S
DEFINE P(2) AS STRM=15, COMP=10, RATE $ H2O IN FLARE GAS
DEFINE P(3) AS STRM=19, COMP=10, RATE $ H2O TO REACTOR
PROCEDURE
R(1) = P(1) + P(2) + P(3)
CALL SRXSTR(SMR,R(1),MKUP)
RETURN
Pump P-4 pumps the recovered wash water from the methanol column bottoms combined with
make-up water as stream 21 to heat exchanger HX4B. This unit represents the hot side of the exchanger
HX-4 (see HX-4A described previously) and calculates the exit temperature for stream 22.
15
Trim cooler (HX-5) further cools the wash water (stream 22) to the desired temperature of 38 C
before it (stream 10) goes back to the water wash column. At this stage, the first recycle loop
between unit T-2 (water wash column) and HX-5 (trim cooler) is closed.
The second recycle loop between unit HX-1 (feed heater) and P-3 (recycle pump) is closed when
the pump P-3 recycles the overhead (stream 19) from the top of the methanol column (T-3) to
the reactor section.
Then, as an illustrative example, an HXRIG module is used to rigorously rate the methanol
column condenser. This rigorous heat exchanger is modeled as an attached heat exchanger to
column T-3. This unit takes as its input the exchangers mechanical data such as shell and tube
dimensions, tube layout pattern, the baffle cut and shell and tube side nozzle sizes. A fouling
factor of 0.00035 m
2
-K/kW is used for the condenser cooling water side. The ZONES option is
selected to determine where phase changes occur in the exchanger. An extended data sheet is
printed in the output.
52
Keyword
Syntax
PUMP UID=P-4, NAME=WATER PUMP
FEED 18,MKUP
PROD L=21
OPER EFFI=65, PRES=862
81
Keyword
Syntax
HX UID=HX4B, NAME=FEED-BOTS
HOT FEED=21, L=22, DP=34.5
DEFINE DUTY AS HX=HX4A, DUTY
81
Keyword
Syntax
HX UID=HX-5, NAME=COOLER
HOT FEED=22, L=10, DP=34.5
OPER HTEMP=38
52
Keyword
Syntax
PUMP UID=P-3, NAME=RECYCLE PUMP
FEED 19
PROD L=20
OPER PRES=1724, EFFI=65
82
Keyword
Syntax
HXRIG UID=RC-1, NAME=T-3 COND
TYPE TEMA=AES
SHELL ID=381
TUBES OD=19, BWG=14, LENGTH=4.75, PASS=2, &
PATTERN=90, PITCH=25.4, FOUL=0.00035, FEED=CW, L=WOUT
BAFFLE CUT=0.18
TNOZZLE ID=102, 102
SNOZZLE ID=152, 102
PRINT EXTENDED , ZONES
ATTACH COLUMN=T-3, TYPE=CONDENSER
Finally, the beginning and ending units for the two recycle loops are defined, and the Wegstein
recycle acceleration method is chosen to speed up the convergence.
134
Keyword
Syntax
RECYCLE DATA
ACCEL TYPE=WEGS
LOOP NO=1, START=T-2, END=HX-5
LOOP NO=2, START=HX-1, END=P-3
16
Techni cal Resul ts
The overall mole balance for a 200,000 metric tonne per day MTBE plant using the reactive
distillation process is shown in Table 5.
Tabl e 5: Overal l Mol e Bal ance for a 200, 000 TPY MTBE Pl ant (Ethermax Process) (kg-mol /hr)
Materi al FEEDS PRODUCTS
C4s Feed Methanol Water
Makeup
MTBE
Product
Unreacted
C4s
Fl are Gas
N-butane
76.50
----- ----- trace
76.50 0.003
Iso-butane
348.50
----- ----- -----
348.49 0.012
1-butene
59.50
----- ----- -----
59.50
trace
cis 2-butene
34.00
-------- -------- trace
34.00
trace
trans 2-butene
51.00
-------- -------- trace
51.00
trace
Isobutene (IBTE)
280.50
-------- -------- --------
2.26
--------
MTBE -------- -------- -------- 277.35 trace --------
Methanol -------- 277.5 -------- 0.11 trace
0.001
tert-butanol -------- -------- -------- 0.19 -------- --------
Water -------- -------- 0.61 --------
0.41 0.011
Di-isobutylene -------- -------- -------- 0.35 -------- --------
TOTAL
850.00
277.5 0.61 278.00
572.16 0.03
Resul ts Anal ysi s
The results of this simulation shown above indicate that the overall conversion of IBTE is 99.2%
with a selectivity to MTBE of 99.7%. In the reactive distillation column itself, 87.2% of the IBTE
fed to the column is converted to MTBE. The MTBE product is 99.77% pure and needs no further
purification.
There are a number of factors that affect the overall conversion rate of IBTE. Some of these are:
M Methanol to IBTE ratio
M Number of reaction trays
M Type of catalyst used
Note, however, that while the IBTE conversion in the conversion reactors increase as the
MEOH:IBTE ratio is increased, the overall IBTE conversion reaches a maximum, then decreases
as the MEOH:IBTE ratio is increased. This is due to the fact that more MTBE product is carried
upward through the column stripping section into the reaction trays. This promotes the reverse
reaction of MTBE to methanol and IBTE, thus reducing the overall conversion of IBTE.
Output Resul ts
Selected results are attached. These include reactor RX-1, rigorous exchanger RC-1 zones
analysis, MTBE column T-1 (reactive distillation), tray rating results for methanol column T-3,
and stream molar component rates for selected streams.
17
Addi ti onal References
1. Hydrocarbon Processing, Vol. 61, No. 9, p.177, Sept. 1982.
2. Bitar, L.S., E. A. Hazbun, and W. J. Piel, MTBE Production and Economics, Hydrocarbon
Processing, Vol. 63, No. 10, pp. 63-68, Oct. 1984.
3. Hutson, T., et al., in Handbook of Chemicals Production Processes, Ed. Robert A. Meyers,
McGraw-Hill Book Company, New York, Chap. 1.12, 1986.
4. Friedlander, R.H., in Handbook of Chemicals Production Processes, Ed. Robert A.
Meyers, McGraw-Hill Book Company, New York, Chap. 1.13, 1986.
5. Jacobs, R., and R. Krishna, 1993, Multiple Solutions in Reactive Distillation of Methyl
tert-Butyl Ether Synthesis, Ind. Chem Res., 32(8).
6. Hydrocarbon Processing, Vol. 69, No. 10, pp.29,31,33,44, Oct. 1990.
7. Oil & Gas J., Mar. 25, 1991, pp.26-29.
8. Shah, V.B., D. Bluck, J. W. Kovach III, R. Parikh, and R. Yu, 1994, The Sensitivity of the
Design and Operability of the MTBE Processs with Respect to Changes in Reaction
Parameters and Process Configurations, paper presented at the Refining LNG and Petro-
chemasia 94 Conference in Singapore, December 7-8 1994.
18
Appendi x A
Keyword Input File ---- Reactive Distillation (Ethermax) Process
TITLE PROJECT = MTBECASEBOOK , &
PROBLEM = MTBE PLANT , &
USER = SIMSCI , &
DATE = Mar95
DIMENSION SI, TEMP=C
PRINT INPUT = ALL , &
STREAM = COMPONENT , &
MBAL
SEQUENCE HX-1 , RX-1, HX-2A , &
CAL0 , T-1 , CONVERSION , &
HX-2B , P-1 , HX-3 , &
T-2 , HX4A , V-1 , D-1 , P-2 , T-3 , &
CAL1 , P-4 , HX4B , HX-5 , P-3 , &
RC-1
COMP DATA
LIBID 1,NC4 / & $ N-BUTANE
2,IC4 / & $ I-BUTANE
3,1BUTENE / & $ BUTENE-1
4,BTC2 / & $ CIS BUTENE-2
5,BTT2 / & $ TRANS BUTENE-2
6,IBTE / & $ ISO BUTENE
7,MTBE / & $ METHYL TERTIARY BUTYL ETHER
8,MEOH / & $ METHANOL
9,TBA / & $ TERT BUTYL ALCOHOL
10,H2O / & $ WATER
11,244TM1P,,DIB $ DI-ISO BUTYLENE & ISOMERS
THERMO DATA
METHOD SYSTEM=SRKM, TRANSPORT=PURE, SET=S1
KVAL
SRKM 1, 9, 0.046973, 0.126027,0,0,0,0,1,1
SRKM 3, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 4, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 5, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 6, 8, 0.135525,-0.032271,0,0,0,0,1,1
SRKM 8, 9,-0.073971,-0.055222,0,0,0,0,1,1
SRKM 9,10,-0.145000,-0.253000,0,0,0,0,1,1
SRKM 7,11, 0.05785, -0.0093,-10.144,6.17,0,0,1,1
METHOD SYSTEM(VLLE)=SRKM, L1KEY=1, L2KEY=10, SET=S2
KVAL
SRKM 1, 9, 0.046973, 0.126027,0,0,0,0,1,1
SRKM 3, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 4, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 5, 8, 0.136,-0.0323,0,0,0,0,1,1
SRKM 6, 8, 0.135525,-0.032271,0,0,0,0,1,1
SRKM 8, 9,-0.073971,-0.055222,0,0,0,0,1,1
SRKM 9,10,-0.145000,-0.253000,0,0,0,0,1,1
SRKM 7,11, 0.05785, -0.0093,-10.144,6.17,0,0,1,1
STREAM DATA
19
PROP STRM= 1, TEMP=16, PRES=1620, COMP=8,277.5
PROP STRM= 2, TEMP=16, PRES=1620, COMP=9/41/7/4/6/33, &
RATE=850, NORMALIZE
PROP STRM=10, TEMP=38, PRES=793, COMP=10,375
PROP STRM=20, TEMP=44, PRES=1724, COMP=8,4.0/10,0.3
$
$ INCREASE MTBE COLUMN CONDENSER COOLING WATER FLOWRATE
$
$ PROP STRM=CW, TEMP=21, PRES=690, COMP=10,100, RATE(V)=75
PROP STRM=CW, TEMP=21, PRES=690, COMP=10,100, RATE(V)=175
PROP STRM=MKUP, TEMP=38, PRES=350, COMP=10,500
NAME 1, MEOH FEED / 2, OLEFINS / 20, MEOH RECYC / &
6, T-1 OVHD / 8, MTBE / 11, C4S / &
15, FLARE GAS / MKUP,MKUP WATER
RXDATA
$
$ Reaction Data for Reactors
$
RXSET ID=ST1
REACTION ID=1
STOIC 6,-2 / 11,1 $ IBTE + IBTE = DIB
REACTION ID=2
STOIC 10,-1 / 6,-1 / 9,1 $ H2O + IBTE = TBA
REACTION ID=3
STOIC 6,-1 / 8,-1 / 7,1 $ IBTE + MEOH = MTBE
$
$ ======================================================================
$ = =
$ = Reaction Data =
$ = =
$ = Column Reaction Data =
$ ======================================================================
$
$
$ ==================================================
$
$ MTBE REACTION SET - Supplemented Al-Jarallah
$
$ Iso-butane+Methanol - MTBE
$
RXSET ID=ALJX
REACTION ID=ALJ0
STOICH 6, -1/8, -1/7, 1
BASE COMP=8
KINETIC PROCEDURE=ALJD, POSITION=1
$
20
$ ======================================================================
$ = =
$ = PROCEDURE DATA =
$ = =
$ ======================================================================
$
PROCEDURE DATA
$ ======================================================================
$ = =
$ = PROCEDURE DATA for RXKINETIC REACTIONS =
$ = (Column Reaction PROCEDURES) =
$ = =
$ ======================================================================
$
$ ==================================================
$ ==================================================
$ ==================================================
$
$ Al-Jarallah MTBE Column Reaction Kinetics.
$
$ ==================================================
$ ==================================================
$ ==================================================
$
$
$
$ Also modified to remove catalyst based concentration
$ from reaction expression. To revert to paper, set
$ GCATX = GCAT. This will drop the reaction rate to
$ way below what seems realistic based on literature
$ data. As is, it is still low.
$
PROCEDURE(RXKINE) ID=ALJD,NAME=Al-Jarallah
$
$ Reference: Adnan M. Al-Jarallah, Mohammed A. B. Siddiqui, and
$ A. K. K. Lee, Kinetics of Methyl Tertiary Butyl
$ Ether Synthesis Catalyzed by Ion Exchange Resin"
$ Canadian Journal of Chemical Engineering (66)
$ pp. 802-807
$
PDATA GCAT , RXFACT
REAL KS , KA , KC , KALJ , KREH1 , KREH2 , KIZQ , KEQREF
INTEGER IBTE , MEOH , MTBE
CODE
$
$ INITIALIZE DATA:
$ SET INDEXES FOR COMPONENTS
$ DEFINE GAS CONSTANT IN Joules/gm-mole K
$ Note: R could have been retrieved in input units by R=RGAS.
$ However, since the reaction basis wont change, and
$ RGAS will change with the default units, this
$ eliminates one possible source of error..
$ Initialize the local variable TK to the absolute temperature.
$ Note: The temperature basis for the flowshet must be Centigrade
$ or Kelvin.
$ Set temperature and composition derivatives to zero.
$
IBTE = 6
MTBE = 7
MEOH = 8
$
R = 8.314
21
$
TK = RTABS
$
DO 1000 I1 = 1,NOR
DRDT(I1) = 0.0
DO 1000 I2 = 1,NOC
1000 DRDX(I2,I1) = 0.0
$
$ Calculate the surface reaction rate constant, ks, and the
$ equilibrium adsorption constants Ka and Kb. The activation
$ energy is in J/gm-mole.
$ units: ks - (gm-mole / gm catalyst)**1.5 /hour
$ Ka - gm-catalyst / mole
$ Kc - gm-catalyst / mole
$
KS = 1.2E+13*EXP(-87900.0/(R*TK))
KA = 5.1E-13*EXP( 97500.0/(R*TK))
KC = 1.6E-16*EXP(119000.0/(R*TK))
$
DKSDT = KS * 87900.0 / R / (TK*TK)
DKADT = KA * (-1.0) * 97500.0 / R / (TK*TK)
DKCDT = KC * (-1.0) * 119000.0 / R / (TK*TK)
$
$ -------- Calculate the equilibrium constant.
$
$ Units - (gm-moles/gm-catalyst)/hour
$ Phase - Liquid Phase Reaction
$ Catalyst - Ion Exchange Resin Amberlyst 15,
$ the equilibrium should be independant of the catalyst
$
$
$ ---- METHOD 1.0: Adnan M. Al-Jarallah, Mohammed A. B. Siddiqui, and
$ A. K. K. Lee, Kinetics of Methyl Tertiary Butyl
$ Ether Synthesis Catalyzed by Ion Exchange Resin"
$ Canadian Journal of Chemical Engineering (66)
$ pp. 802-807
$
KALJ = EXP(-17.31715+(7196.776/TK))
$
DKALJDT = - KALJ * 7196.776 / (TK*TK)
$
$ Bulk concenrations of components per gram of catalyst, XLCONC is
$ in moles/flow volume. XLCONC will be passed to the procedure
$ in user input units. Internally to PRO/II, it is in SI units
$ (kg-mole/cubic meter). The basis for these reaction equations
$ is gm-moles/liter. The conversion factor from input units of
$ kg-moles/cubic meter to the reaction basis of gm-moles/liter
$ is one. Therefore, XLCONC can be used with no conversion.
$
$
$ RHOA=(XLCONC(MEOH)/GCAT) |-This should be equivalent to below.
$ RHOB=(XLCONC(IBTE)/GCAT) | It has been written explicitly below
$ RHOC=(XLCONC(MTBE)/GCAT) | to make it obvious how to do the
$ analytical derivatives.
$
$ Calculate density in moles / volume
$
GCATX = 12.4
DENS=RLMRAT/RLVRAT
RHOA=(XLIQ(MEOH)*DENS/GCATX)
RHOB=(XLIQ(IBTE)*DENS/GCATX)
RHOC=(XLIQ(MTBE)*DENS/GCATX)
22
$
$ -------- Calculate reaction rate and derivatives by terms
$ -------- Units - RATE - gram-mole / gram catalyst / hr.
$
$ Denominator & derivatives.
$
RDEN = 1.0 + ( KA*RHOA ) + 0.0 + ( KC*RHOC )
DRDDT = RHOA*DKADT + 0.0 + RHOC*DKCDT
DRDDME = KA/GCATX*DENS
DRDDIB = 0.0
DRDDMT = KC/GCATX*DENS
$
$ First factor in rate equation.
FACT1 = KS *KA/RDEN
DFAC1DT = DKSDT*KA/RDEN + KS*DKADT/RDEN - KS*KA/RDEN**2 * DRDDT
$
$ Second factor in rate equation.
FACT2 = RHOA*RHOB**0.5 - RHOC**1.5/KALJ
DFAC2DT = 0.0 + RHOC**1.5/KALJ**2 * DKALJDT
$
$ Combine terms to calculate rate and derivatives.
$
$ ---- Rate equation (rate per one gram of catalysis).
RATE = FACT1 * FACT2
$
$ ---- Rate temperature derivative.
DRDT(1) = DFAC1DT * FACT2 &
+ FACT1 * DFAC2DT
$ ---- Rate composition derivatives.
DRDX(MEOH,1) = -KS*KA/RDEN**2 * DRDDME * FACT2 &
+ FACT1 * (RHOB**0.5/GCATX*DENS)
DRDX(IBTE,1) = -KS*KA/RDEN**2 * DRDDIB * FACT2 &
+ FACT1 * (RHOA/2.0/RHOB**0.5/GCATX*DENS)
DRDX(MTBE,1) = -KS*KA/RDEN**2 * DRDDMT * FACT2 &
- FACT1 * (1.5* RHOC**0.5/GCATX/KALJ*DENS)
$
$ -------- Convert rate equation and derivatives to a straight volume basis
$ -------- by multipling the base rate by the grams of catalyst/unit volume.
$ -------- The rate is returned in input units, kg-moles/cubic meter/hour.
$
RRATES(1) = GCAT * RXFACT * RATE
$
DRDT(1) = GCAT * RXFACT * DRDT(1)
$
DRDX(MEOH,1) = GCAT * RXFACT * DRDX(MEOH,1)
DRDX(IBTE,1) = GCAT * RXFACT * DRDX(IBTE,1)
DRDX(MTBE,1) = GCAT * RXFACT * DRDX(MTBE,1)
RETURN
UNIT OPS
HX UID=HX-1, NAME=FEED HEAT
COLD FEED=1,2,20, L=3, DP=34.5
OPER CTEMP=43.5
CONREACTOR UID=RX-1, NAME=REACTORS
FEED 3
PROD L=4
OPER TEMP=55, DP=69
RXCALC MODEL=STOIC
RXSTOIC RXSET=ST1
23
REACTION 1
BASE COMP=6
CONV 0.0025
REACTION 2
BASE COMP=10
CONV 1.00
REACTION 3
BASE COMP=8
CONV 0.93
$
$ Provide storage location (RESULT(1))
$ Note: RXFACT is not varied in this casebook,
$ but is set equal to 1.0 always
$
CALCULATOR UID=CAL0, NAME=COPY RXFACT
PROCEDURE
IF (R(2) .NE. 1.0) R(1) = 1.0 $Set RXFACT TO 1 on first call.
R(2) = 1.0
RETURN
HX UID=HX-2A, NAME=FEED-BTMS-A
COLD FEED=4, L=5, DP=34.5
OPER CTEMP=72
$
$ Reactive Distillation.
COLUMN UID=T-1, NAME=MTBE COLUMN
PARA TRAY=30, CHEM=35
FEED 5, 15
PROD OVHD=6, BTMS=7,280
PSPEC TOP=621, DPCOL=76.5
COND TYPE=TFIX, PRES=621, TEMP=43.5
DUTY 1,1 / 2,30
VARY DUTY=1,2
SPEC STRM=7,RATE,VALUE=278.0
SPEC RRATIO, VALUE=1.1
PRINT PROP=ALL , COMP=M
PLOT LOG XCOMP=6,6/ 8, 8/ 7, 7/1,1
ESTI MODEL=SIMPLE
RXTRAY ALJX, 8 , 13
LVOL(M3) 8 , 5.0 / 13, 5.0
DEFINE GCAT AS 360.0
DEFINE RXFACT AS 1.0
TSIZE VALVE FF=80.0 DPCALC=0.0
$
$ Calculate RXDIST conversions.
CALCULATOR UID=CONVERSION, NAME=CONVERSION OF IBTE-MEOH TO MTBE
RESULT 1 , IN - MEOH / 2 , IN - IBTE / 3 , IN - MTBE / &
4 , OUT - MEOH / 5 , OUT - IBTE / 6 , OUT - MTBE / &
20 , IBTE CONV /21 , MEOH CONV
DEFINE P(1) AS STREAM=4 RATE(M) COMP=8 $ MEOH
DEFINE P(2) AS STREAM=4 RATE(M) COMP=6 $ IBTE
DEFINE P(3) AS STREAM=4 RATE(M) COMP=7 $ MTBE
DEFINE P(4) AS STREAM=6 RATE(M) COMP=8 $ MEOH
DEFINE P(5) AS STREAM=6 RATE(M) COMP=6 $ IBTE
DEFINE P(6) AS STREAM=6 RATE(M) COMP=7 $ MTBE
DEFINE P(7) AS STREAM=7 RATE(M) COMP=8 $ MEOH
DEFINE P(8) AS STREAM=7 RATE(M) COMP=6 $ IBTE
DEFINE P(9) AS STREAM=7 RATE(M) COMP=7 $ MTBE
24
PROCEDURE
$ ----- LOAD RATES
R( 1) = P( 1)
R( 2) = P( 2)
R( 3) = P( 3)
R( 4) = P( 4) + P( 7)
R( 5) = P( 5) + P( 8)
R( 6) = P( 6) + P( 9)
$ ----- CALCULATE CONVERSION
R(20) = ( R(2) - R(5) ) / R(2)
R(21) = ( R(1) - R(4) ) / R(1)
$ ----- DISPLAY RESULTS
DISPLAY R( 1: 9 )
DISPLAY R( 20:21 )
RETURN
HX UID=HX-2B, NAME=FEED-BTMS-B
HOT FEED=7, L=8, DP=34.5
DEFINE DUTY AS HX=HX-2A DUTY
PUMP UID=P-1, NAME=T-1 OVHD
FEED 6
PROD L=6P
OPER PRES=827, EFFI=65
HX UID=HX-3, NAME=COOLER
HOT FEED=6P, L=9, DP=34.5
OPER HTEMP=38
UTIL WATER, TIN=16, TOUT=32
COLUMN UID=T-2, NAME=WATER WASH
PARA TRAY=5, LLEX=25
FEED 9,5 / 10,1
PROD OVHD=11, BTMS=12,185
PSPEC TOP=792
ESTI MODEL=SIMPLE
METHOD SET=S2
HX UID=HX4A, NAME=FEED-BTMS
COLD FEED=12, L=13, DP=34.5
OPER CTEMP=99
VALVE UID=V-1, NAME=VALVE
FEED 13
PROD M=14
OPER PRES=241
FLASH UID=D-1, NAME=SEPARATOR
FEED 14
PROD L=16, V=15
ADIA
PUMP UID=P-2, NAME=FEED PUMP
FEED 16
PROD L=17
OPER EFFI=65, PRES=690
COLUMN UID=T-3, NAME=MEOH COLUMN
PARA TRAY=20, IO=10
FEED 17,10
PROD OVHD=19, BTMS=18,182
PSPEC TOP=138, DPCOL=34.5
DUTY 1,1 / 2,20
25
COND TYPE=TFIX, PRES=103.5, TEMP=30
VARY DUTY=1,2
ESTI MODEL=CONV, RRATIO=10
SPEC STRM=19, COMP= 8, RATE, DIVIDE, &
STRM=17, COMP= 8, RATE, VALUE=0.995
SPEC STRM=18, COMP=10, RATE, DIVIDE, &
STRM=17, COMP=10, RATE, VALUE=0.9995
TRATE SECTION(1)=2,19, SIEVE, DIAMETER=610
CALC UID=CAL1, NAME=MAKEUP
SEQUENCE STREAM=MKUP
DEFINE P(1) AS STRM=11, COMP=10, RATE $ H2O IN C4S
DEFINE P(2) AS STRM=15, COMP=10, RATE $ H2O IN FLARE GAS
DEFINE P(3) AS STRM=19, COMP=10, RATE $ H2O TO REACTOR
PROCEDURE
R(1) = P(1) + P(2) + P(3)
CALL SRXSTR(SMR,R(1),MKUP)
RETURN
PUMP UID=P-4, NAME=WATER PUMP
FEED 18,MKUP
PROD L=21
OPER EFFI=65, PRES=862
HX UID=HX4B, NAME=FEED-BOTS
HOT FEED=21, L=22, DP=34.5
DEFINE DUTY AS HX=HX4A, DUTY
HX UID=HX-5, NAME=COOLER
HOT FEED=22, L=10, DP=34.5
OPER HTEMP=38
PUMP UID=P-3, NAME=RECYCLE PUMP
FEED 19
PROD L=20
OPER PRES=1724, EFFI=65
HXRIG UID=RC-1, NAME=T-3 COND
TYPE TEMA=AES
$
$ SIZE FOR UNFINNED TUBES
$
SHELL ID=381
TUBES OD=19, BWG=14, LENGTH=5.75, PASS=2, &
PATTERN=90, PITCH=25.4, FOUL=0.00035, FEED=CW, L=WOUT
BAFFLE CUT=0.18
TNOZZLE ID=102, 102
SNOZZLE ID=152, 102
PRINT EXTENDED , ZONES
ATTACH COLUMN=T-3, TYPE=CONDENSER
RECYCLE DATA
ACCEL TYPE=WEGS
LOOP NO=1, START=T-2, END=HX-5
LOOP NO=2, START=HX-1, END=P-3
26
APPENDIX B
Output File ---- Reactive Distillation (Ethermax) Process
The following are selected exerpts from the PRO/II output report. The complete output is
available from SimSci on floppy disk.
SIMULATION SCIENCES INC. R PAGE P-50
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
CONVERSION REACTOR SUMMARY Mar95
==============================================================================
UNIT 2, RX-1, REACTORS
OPERATING CONDITIONS
REACTOR TYPE ISOTHERMAL REACTOR
DUTY, M*KJ/HR -12.3321
TOTAL HEAT OF REACTION AT 25.00 C, M*KJ/HR -19.6827
INLET OUTLET
--------------------- ---------------------
FEED 3
LIQUID PRODUCT 4
TEMPERATURE, C 43.50 55.00
PRESSURE, KPA 1585.5000 1516.5000
REACTION DATA
----------------- RATES, KG-MOL/HR -------------------- FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 NC4 76.5019 .0000 76.5019
2 IC4 348.5030 .0000 348.5030
3 1BUTENE 59.5000 .0000 59.5000
4 BTC2 34.0001 .0000 34.0001
5 BTT2 51.0000 .0000 51.0000
6 IBTE 280.5000 -262.8161 17.6839 .9370
7 MTBE 2.22240E-05 261.9277 261.9277
8 MEOH 281.6427 -261.9277 19.7150 .9300
9 TBA 4.49482E-13 .1871 .1871
10 H2O .1871 -.1871 .0000 1.0000
11 DIB .0000 .3506 .3506
TOTAL 1131.8350 -262.4655 869.3694
KG-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED(1)
------------------------------------ --------------------- --------------------- ------------------------
6 IBTE 1 .7013 2.50000E-03
10 H2O 2 .1871 1.0000
8 MEOH 3 261.9277 .9300
(1) FRACTION CONVERTED BASED ON AMOUNT IN FEED
27
SIMULATION SCIENCES INC. R PAGE P-51
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
CONVERSION REACTOR SUMMARY Mar95
==============================================================================
UNIT 2, RX-1, REACTORS (CONT)
REACTOR MASS BALANCE
--------------------- RATES, KG/HR ------------------------ FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 NC4 4446.5970 .0000 4446.5970
2 IC4 20256.3900 .0000 20256.3900
3 1BUTENE 3338.4280 .0000 3338.4280
4 BTC2 1907.6760 .0000 1907.6760
5 BTT2 2861.5090 .0000 2861.5090
6 IBTE 15738.2900 -14746.0800 992.2104 .9370
7 MTBE 1.95902E-03 23088.6700 23088.6700
8 MEOH 9024.3950 -8392.6870 631.7076 .9300
9 TBA 3.33174E-11 13.8712 13.8712
10 H2O 3.3712 -3.3712 .0000 1.0000
11 DIB .0000 39.3450 39.3450
TOTAL 57576.6600 -.2617 57576.4000
28
SIMULATION SCIENCES INC. R PAGE P-14
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
RIGOROUS HEAT EXCHANGER SUMMARY Mar95
==============================================================================
UNIT 21, RC-1, T-3 COND
HEAT EXCHANGER IS ATTACHED TO COLUMN T-3, UNIT 15 AS A CONDENSER
OPERATING CONDITIONS OVERALL
---------------------
DUTY, M*KJ/HR 3.9720
LMTD, C 42.683
MTD, C 36.858
F FACTOR, (FT) .864
U*A, KW/K 29.935
U, KW/M2-K .876 .809 (REQD)
A, M2 36.981 34.160 (REQD)
SHELL SIDE CONDITIONS INLET OUTLET
--------------------- ---------------------
STREAM IS FROM COLUMN T-3 , UNIT 15
VAPOR, KG-MOL/HR 98.803 N/A
K*KG/HR 3.109 N/A
CP, KJ/KG-C 1.520 N/A
LIQUID, KG-MOL/HR N/A 98.803
K*KG/HR N/A 3.109
CP, KJ/KG-C N/A 2.538
TOTAL, KG-MOL/HR 98.803 98.803
K*KG/HR 3.109 3.109
CONDENSATION, KG-MOL/HR 98.803
L/F .0000 1.0000
TEMPERATURE, C 74.079 27.217
PRESSURE, KPA 138.000 91.775
TUBE SIDE CONDITIONS INLET OUTLET
--------------------- ---------------------
FEED(S) CW
PRODUCTS LIQUID WOUT
VAPOR, KG-MOL/HR N/A N/A
K*KG/HR N/A N/A
CP, KJ/KG-C N/A N/A
LIQUID, KG-MOL/HR 9700.201 9700.201
K*KG/HR 174.749 174.749
CP, KJ/KG-C 4.499 4.457
TOTAL, KG-MOL/HR 9700.201 9700.201
K*KG/HR 174.749 174.749
VAPORIZATION, KG-MOL/HR N/A
L/F 1.0000 1.0000
TEMPERATURE, C 21.000 26.164
PRESSURE, KPA 690.000 318.172
29
SIMULATION SCIENCES INC. R PAGE P-15
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
RIGOROUS HEAT EXCHANGER SUMMARY Mar95
==============================================================================
SHELL AND TUBE EXCHANGER DATA SHEET FOR EXCHANGER RC-1
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I EXCHANGER NAME T-3 COND UNIT ID RC-1 I
I SIZE 381 - 5750 TYPE AES, HORIZONTAL CONNECTED 1 PARALLEL 1 SERIES I
I AREA/UNIT 37. M2 ( 34. M2 REQUIRED) AREA/SHELL 37. M2 I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I PERFORMANCE OF ONE UNIT SHELL-SIDE TUBE-SIDE I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I FEED STREAM ID CW I
I FEED STREAM NAME (ATTACHED) I
I TOTAL FLUID KG/HR 3109. 174749. I
I VAPOR (IN/OUT) KG/HR 3109. / / I
I LIQUID KG/HR / 3109. 174749. / 174749. I
I STEAM KG/HR / / I
I WATER KG/HR / / I
I NON CONDENSIBLE KG/HR I
I TEMPERATURE (IN/OUT) DEG C 74.1 / 27.2 21.0 / 26.2 I
I PRESSURE (IN/OUT) KPA 138.00 / 91.78 690.00 / 318.17 I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I SP. GR., LIQ (4C / 4C H2O) / .800 1.000 / 1.000 I
I VAP (4C / 4C AIR) 1.087 / / I
I DENSITY, LIQUID KG/M3 / 787.360 993.997 / 989.495 I
I VAPOR KG/M3 1.538 / / I
I VISCOSITY, LIQUID PAS / 5.5E-04 9.8E-04 / 8.7E-04 I
I VAPOR PAS 1.1E-05 / / I
I THRML COND,LIQ W/M-K / .2003 .6051 / .6121 I
I VAP W/M-K .0192 / / I
I SPEC.HEAT,LIQUID KJ/KG-K / 2.5378 4.4992 / 4.4567 I
I VAPOR KJ/KG-K 1.5205 / / I
I LATENT HEAT KJ/KG 1157.83 I
I VELOCITY M/SEC .16 5.23 I
I DP/SHELL KPA 46.25 371.85 I
I FOULING RESIST M2-K/KW .35222 ( .44648 REQD) .00035 I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I TRANSFER RATE KW/M2-K SERVICE .88 ( .81 REQD), CLEAN 1.27 I
I HEAT EXCHANGED M*KJ/HR 3.972 MTD(CORRECTED) 36.9 FT .864 I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I CONSTRUCTION OF ONE SHELL SHELL-SIDE TUBE-SIDE I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I DESIGN PRESSURE KPA 2068. 2068. I
I NUMBER OF PASSES 1 2 I
I MATERIAL CARB STL CARB STL I
I INLET NOZZLE ID MM 152.0 102.0 I
I OUTLET NOZZLE ID MM 102.0 102.0 I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I TUBE: NUMBER 109 OD 19.000 MM BWG 14 LENGTH 5.8 M I
I TYPE BARE PITCH 25.4 MM PATTERN 90 DEGREES I
I SHELL: ID 381.00 MM SEALING STRIPS 0 PAIRS I
I BAFFLE: CUT .180 SPACING (IN/CENT/OUT): MM 93.70/ 76.20/ 93.70,SINGLE I
I RHO-V2: INLET NOZZLE 1473.0 KG/M-SEC2 I
I TOTAL WEIGHT/SHELL,KG 1007.4 FULL OF WATER 2655.4 BUNDLE 1062.8 I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
30
SIMULATION SCIENCES INC. R PAGE P-16
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
RIGOROUS HEAT EXCHANGER SUMMARY Mar95
==============================================================================
SHELL AND TUBE EXTENDED DATA SHEET FOR EXCHANGER RC-1
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I EXCHANGER NAME T-3 COND UNIT ID RC-1 I
I SIZE 381 - 5750 TYPE AES, HORIZONTAL CONNECTED 1 PARALLEL 1 SERIES I
I AREA/UNIT 37. M2 ( 34. M2 REQUIRED) I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I PERFORMANCE OF ONE UNIT SHELL-SIDE TUBE-SIDE I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I FEED STREAM ID CW I
I FEED STREAM NAME (ATTACHED) I
I WT FRACTION LIQUID (IN/OUT) .000 / 1.000 1.000 / 1.000 I
I REYNOLDS NUMBER 52994. 81759. I
I PRANDTL NUMBER 5.045 6.936 I
I WATSON K,LIQUID / 10.599 8.762 / 8.762 I
I VAPOR 10.599 / / I
I SURFACE TENSION N/M / .024 .072 / .072 I
I FILM COEF(SCL) KW/M2-K 1.9 (1.000) 15.6 (1.000) I
I FOULING LAYER THICKNESS MM .000 .000 I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I THERMAL RESISTANCE I
I UNITS: ( M2-K/KW ) (PERCENT) (ABSOLUTE) I
I SHELL FILM 52.00 .52123 I
I TUBE FILM 8.24 .08260 I
I TUBE METAL 4.58 .04593 I
I TOTAL FOULING 35.18 .35267 I
I ADJUSTMENT 8.26 .08280 I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I PRESSURE DROP SHELL-SIDE TUBE-SIDE I
I UNITS: (KPA) (PERCENT) (ABSOLUTE) (PERCENT) (ABSOLUTE)I
I WITHOUT NOZZLES 97.00 44.87 76.94 286.11 I
I INLET NOZZLES 2.95 1.36 8.46 31.48 I
I OUTLET NOZZLES .05 .02 14.59 54.27 I
I TOTAL /SHELL 46.25 371.85 I
I TOTAL /UNIT 46.25 371.85 I
I DP SCALER 1.00 1.00 I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I CONSTRUCTION OF ONE SHELL I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I TUBE:OVERALL LENGTH 5.8 M EFFECTIVE LENGTH 5.33 M I
I TOTAL TUBESHEET THK 66.0 MM AREA RATIO (OUT/IN) 1.285 I
I THERMAL COND 51.9 W/M-K DENSITY 7862.00 KG/M3I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I BAFFLE: THICKNESS 4.762 MM NUMBER 74 I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
I BUNDLE: DIAMETER 327.0 MM TUBES IN CROSSFLOW 92 I
I CROSSFLOW AREA .010 M2 WINDOW AREA .012 M2 I
I WINDOW HYD DIA 40.63 MM I
I TUBE-BFL LEAK AREA .002 M2 SHELL-BFL LEAK AREA .001 M2 I
I--------------------------------------------------------------------------------------------------------------------------------------------------------I
31
SIMULATION SCIENCES INC. R PAGE P-17
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
RIGOROUS HEAT EXCHANGER SUMMARY Mar95
==============================================================================
ZONE ANALYSIS FOR EXCHANGER RC-1
TEMPERATURE - PRESSURE SUMMARY
---------------- TEMPERATURE, C ------------- ---------------- PRESSURE, KPA -------------
SHELL-SIDE TUBE-SIDE SHELL-SIDE TUBE-SIDE
ZONE IN OUT IN OUT IN OUT IN OUT
-------- ------------- ------------- ------------- ------------- ------------- ------------- ------------- -------------
1 74.1 69.6 21.6 26.2 138.0 122.6 643.4 318.2
2 69.6 65.0 21.4 21.6 122.6 107.2 658.7 643.4
3 65.0 60.5 21.4 21.4 107.2 91.8 663.8 658.7
4 60.5 27.2 21.0 21.4 91.8 91.8 690.0 663.8
HEAT TRANSFER AND PRESSURE DROP SUMMARY
------------ HEAT TRANSFER --------- PRESSURE DROP (TOTAL) - FILM COEFFICIENT -
MECHANISM KPA KW/M2-K
ZONE SHELL-SIDE TUBE-SIDE SHELL-SIDE TUBE-SIDE SHELL-SIDE TUBE-SIDE
-------- ------------------------ ------------------------ -------------------- ----------------- -------------------- -----------------
1 CONDENSATION LIQ. HEATING 15.408 325.273 2.998 15.917
2 CONDENSATION LIQ. HEATING 15.408 15.245 1.405 15.310
3 CONDENSATION LIQ. HEATING 15.408 5.090 .656 15.179
4 LIQ. SUBCOOL LIQ. HEATING .000 26.220 .478 15.088
-------------------- -----------------
TOTAL PRESSURE DROP 46.225 371.828
HEAT TRANSFER SUMMARY (CONT)
------------ DUTY ------------- U-VALUE AREA LMTD FT
ZONE M*KJ/HR PERCENT KW/M2-K M2 C
-------- ----------------- ------------- ------------------------ -------------------- ----------------- ----------------
1 3.47 87.48 1.23 18.96 47.91 .864
2 .16 4.10 .84 1.37 45.71 .864
3 .05 1.37 .50 .85 41.32 .864
4 .28 7.05 .39 12.98 17.89 .864
----------------- ------------- ------------------------ -------------------- ----------------- ----------------
TOTAL 3.97 100.00 34.16
WEIGHTED .88 42.68 .864
OVERALL 20.42 .864
INSTALLED 36.98
TOTAL DUTY = (WT. U-VALUE) (TOTAL AREA) (WT. LMTD) (OVL. FT)
ZONE DUTY = (ZONE U-VALUE) (ZONE AREA) (ZONE LMTD) (OVL. FT)
32
SIMULATION SCIENCES INC. R PAGE P-19
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
UNIT 5, T-1, MTBE COLUMN
TOTAL NUMBER OF ITERATIONS
CHEM METHOD 38
COLUMN SUMMARY
-------------------- NET FLOW RATES --------------------- HEATER
TRAY TEMP PRESSURE LIQUID VAPOR FEED PRODUCT DUTIES
DEG C KPA KG-MOL/HR M*KJ/HR
------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- ------------------------
1C 43.5 621.00 633.5 575.9L -23.5395
2 50.8 621.00 661.3 1209.5
3 51.5 623.73 659.0 1237.2
4 52.0 626.46 657.6 1235.0
5 52.3 629.20 656.4 1233.6
6 52.7 631.93 654.5 1232.3
7 53.1 634.66 650.4 1230.5
8 53.8 637.39 633.1 1226.3
9 54.8 640.12 610.5 1211.6
10 56.5 642.86 578.0 1191.6
11 59.4 645.59 534.9 1161.9
12 63.8 648.32 489.4 1121.9
13 68.7 651.05 458.5 1079.8
14 73.3 653.79 441.1 1049.8
15 76.7 656.52 1202.6 1032.5 869.4M
16 90.4 659.25 1170.9 924.6
17 104.8 661.98 1188.8 892.9
18 114.9 664.71 1223.4 910.8
19 120.6 667.45 1251.4 945.4
20 123.7 670.18 1269.5 973.4
21 125.4 672.91 1280.7 991.5
22 126.4 675.64 1287.8 1002.7
23 127.0 678.37 1292.7 1009.8
24 127.5 681.11 1296.2 1014.7
25 127.8 683.84 1298.9 1018.2
26 128.1 686.57 1301.1 1020.9
27 128.4 689.30 1303.0 1023.1
28 128.6 692.04 1304.7 1025.0
29 128.8 694.77 1306.2 1026.7
30R 129.1 697.50 1028.2 278.0L 23.5465
33
SIMULATION SCIENCES INC. R PAGE P-20
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
UNIT 5, T-1, MTBE COLUMN (CONT)
FEED AND PRODUCT STREAMS
TYPE STREAM PHASE FROM TO LIQUID FLOW RATES HEAT RATES
TRAY TRAY FRAC KG-MOL/HR M*KJ/HR
--------- ------------------------ ------------ -------- -------- ------------ ------------------------ ------------------------
FEED 5 MIXED 15 .9471 869.37 9.8626
PROD 6 LIQUID 1 575.94 3.4055
PROD 7 LIQUID 30 278.00 7.1853
OVERALL MOLE BALANCE, (FEEDS - PRODUCTS) 15.43
TOTAL HEAT OF REACTION AT STANDARD CONDITIONS -1.1572
TOTAL HEAT OF REACTION AT PROII ENTHALPY BASIS CONDITIONS -.7213
OVERALL HEAT BALANCE, (H(IN) - H(OUT) ) -6.6467E-06
SPECIFICATIONS
PARAMETER TRAY COMP SPECIFICATION SPECIFIED CALCULATED
TYPE NO NO TYPE VALUE VALUE
--------------------------------- -------- ------------ ------------------------- -------------------- --------------------
STRM 7 30 MOL RATE 2.780E+02 2.780E+02
UNIT T-1 1 RRATIO 1.100E+00 1.100E+00
REFLUX RATIOS
---------------- REFLUX RATIOS ----------------
MOLAR WEIGHT STD L VOL
----------------- ----------------- -----------------
REFLUX / FEED STREAM 5 .7287 .6318 .6974
REFLUX / LIQUID DISTILLATE 1.1000 1.1000 1.1000
34
SIMULATION SCIENCES INC. R PAGE P-36
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
UNIT 5, T-1, MTBE COLUMN (CONT)
MOLAR REACTION RATES KG-MOL/HR
COMPONENT TRAY 1 TRAY 2 TRAY 3 TRAY 4
-------------------- -------------------- -------------------- --------------------
1 NC4 .0000 .0000 .0000 .0000
2 IC4 .0000 .0000 .0000 .0000
3 1BUTENE .0000 .0000 .0000 .0000
4 BTC2 .0000 .0000 .0000 .0000
5 BTT2 .0000 .0000 .0000 .0000
6 IBTE .0000 .0000 .0000 .0000
7 MTBE .0000 .0000 .0000 .0000
8 MEOH .0000 .0000 .0000 .0000
9 TBA .0000 .0000 .0000 .0000
10 H2O .0000 .0000 .0000 .0000
11 DIB .0000 .0000 .0000 .0000
TEMPERATURE, DEG C 43.500 50.775 51.471 51.952
PRESSURE, KPA 621.000 621.000 623.732 626.464
COMPONENT TRAY 5 TRAY 6 TRAY 7 TRAY 8
-------------------- -------------------- -------------------- --------------------
1 NC4 .0000 .0000 .0000 .0000
2 IC4 .0000 .0000 .0000 .0000
3 1BUTENE .0000 .0000 .0000 .0000
4 BTC2 .0000 .0000 .0000 .0000
5 BTT2 .0000 .0000 .0000 .0000
6 IBTE .0000 .0000 .0000 -2.5733
7 MTBE .0000 .0000 .0000 2.5733
8 MEOH .0000 .0000 .0000 -2.5733
9 TBA .0000 .0000 .0000 .0000
10 H2O .0000 .0000 .0000 .0000
11 DIB .0000 .0000 .0000 .0000
TEMPERATURE, DEG C 52.319 52.657 53.069 53.759
PRESSURE, KPA 629.196 631.928 634.661 637.393
VOLUME, M3 5.000
35
SIMULATION SCIENCES INC. R PAGE P-37
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
UNIT 5, T-1, MTBE COLUMN (CONT)
COMPONENT TRAY 9 TRAY 10 TRAY 11 TRAY 12
-------------------- -------------------- -------------------- --------------------
1 NC4 .0000 .0000 .0000 .0000
2 IC4 .0000 .0000 .0000 .0000
3 1BUTENE .0000 .0000 .0000 .0000
4 BTC2 .0000 .0000 .0000 .0000
5 BTT2 .0000 .0000 .0000 .0000
6 IBTE -2.5327 -2.8062 -3.1954 -3.2871
7 MTBE 2.5327 2.8062 3.1954 3.2871
8 MEOH -2.5327 -2.8062 -3.1954 -3.2871
9 TBA .0000 .0000 .0000 .0000
10 H2O .0000 .0000 .0000 .0000
11 DIB .0000 .0000 .0000 .0000
TEMPERATURE, DEG C 54.763 56.481 59.417 63.760
PRESSURE, KPA 640.125 642.857 645.589 648.321
VOLUME, M3 5.000 5.000 5.000 5.000
COMPONENT TRAY 13 TRAY 14 TRAY 15 TRAY 16
-------------------- -------------------- -------------------- --------------------
1 NC4 .0000 .0000 .0000 .0000
2 IC4 .0000 .0000 .0000 .0000
3 1BUTENE .0000 .0000 .0000 .0000
4 BTC2 .0000 .0000 .0000 .0000
5 BTT2 .0000 .0000 .0000 .0000
6 IBTE -1.0336 .0000 .0000 .0000
7 MTBE 1.0336 .0000 .0000 .0000
8 MEOH -1.0336 .0000 .0000 .0000
9 TBA .0000 .0000 .0000 .0000
10 H2O .0000 .0000 .0000 .0000
11 DIB .0000 .0000 .0000 .0000
TEMPERATURE, DEG C 68.742 73.285 76.662 90.407
PRESSURE, KPA 651.053 653.785 656.518 659.250
VOLUME, M3 5.000
COMPONENT TRAY 17 TRAY 18 TRAY 19 TRAY 20
-------------------- -------------------- -------------------- --------------------
1 NC4 .0000 .0000 .0000 .0000
2 IC4 .0000 .0000 .0000 .0000
3 1BUTENE .0000 .0000 .0000 .0000
4 BTC2 .0000 .0000 .0000 .0000
5 BTT2 .0000 .0000 .0000 .0000
6 IBTE .0000 .0000 .0000 .0000
7 MTBE .0000 .0000 .0000 .0000
8 MEOH .0000 .0000 .0000 .0000
9 TBA .0000 .0000 .0000 .0000
10 H2O .0000 .0000 .0000 .0000
11 DIB .0000 .0000 .0000 .0000
36
SIMULATION SCIENCES INC. R PAGE P-38
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
UNIT 5, T-1, MTBE COLUMN (CONT)
TRAY 17 TRAY 18 TRAY 19 TRAY 20
-------------------- -------------------- -------------------- --------------------
TEMPERATURE, DEG C 104.758 114.861 120.615 123.696
PRESSURE, KPA 661.982 664.714 667.446 670.178
COMPONENT TRAY 21 TRAY 22 TRAY 23 TRAY 24
-------------------- -------------------- -------------------- --------------------
1 NC4 .0000 .0000 .0000 .0000
2 IC4 .0000 .0000 .0000 .0000
3 1BUTENE .0000 .0000 .0000 .0000
4 BTC2 .0000 .0000 .0000 .0000
5 BTT2 .0000 .0000 .0000 .0000
6 IBTE .0000 .0000 .0000 .0000
7 MTBE .0000 .0000 .0000 .0000
8 MEOH .0000 .0000 .0000 .0000
9 TBA .0000 .0000 .0000 .0000
10 H2O .0000 .0000 .0000 .0000
11 DIB .0000 .0000 .0000 .0000
TEMPERATURE, DEG C 125.389 126.389 127.035 127.493
PRESSURE, KPA 672.910 675.642 678.374 681.107
COMPONENT TRAY 25 TRAY 26 TRAY 27 TRAY 28
-------------------- -------------------- -------------------- --------------------
1 NC4 .0000 .0000 .0000 .0000
2 IC4 .0000 .0000 .0000 .0000
3 1BUTENE .0000 .0000 .0000 .0000
4 BTC2 .0000 .0000 .0000 .0000
5 BTT2 .0000 .0000 .0000 .0000
6 IBTE .0000 .0000 .0000 .0000
7 MTBE .0000 .0000 .0000 .0000
8 MEOH .0000 .0000 .0000 .0000
9 TBA .0000 .0000 .0000 .0000
10 H2O .0000 .0000 .0000 .0000
11 DIB .0000 .0000 .0000 .0000
TEMPERATURE, DEG C 127.845 128.136 128.389 128.620
PRESSURE, KPA 683.839 686.571 689.303 692.035
37
SIMULATION SCIENCES INC. R PAGE P-39
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
UNIT 5, T-1, MTBE COLUMN (CONT)
COMPONENT TRAY 29 TRAY 30
-------------------- --------------------
1 NC4 .0000 .0000
2 IC4 .0000 .0000
3 1BUTENE .0000 .0000
4 BTC2 .0000 .0000
5 BTT2 .0000 .0000
6 IBTE .0000 .0000
7 MTBE .0000 .0000
8 MEOH .0000 .0000
9 TBA .0000 .0000
10 H2O .0000 .0000
11 DIB .0000 .0000
TEMPERATURE, DEG C 128.841 129.067
PRESSURE, KPA 694.767 697.500
38
SIMULATION SCIENCES INC. R PAGE P-48
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
UNIT 15, T-3, MEOH COLUMN (CONT)
TRAY RATING MECHANICAL DATA
SECTION TRAY DIAM TRAY SPACE SF ------------- TRAY ----------------
NUMBERS MM PASSES MM TYPE METAL THK, MM
------------- ----------------- -------- ------------ --------- -------- --------- --------- -------------
1 2 - 19 610. 1 610. 1.00 SIEVE SS 1.880
SECTION NO VALVES VALVE CAP TO SIEVE UNIT ++ WEIR HT DC CLEAR
OR CAPS THK,MM CAP, MM PCT DIA, MM MM MM
------------- ----------------- ------------ ------------- --------- ------------- ------------- ----------------
1 N/A N/A N/A 12.00 12.700 50.800 38.100
++ DIAMETER OF VALVES, SIEVE HOLES, OR BUBBLE CAPS
SECTION DOWNCOMER WIDTHS, MM SLOPED DC WIDTHS, MM
SIDE CENTER OFF-CTR OFF-SIDE SIDE CENTER OFF-CTR OFF-SIDE
------------- --------- ------------ ------------- ---------------- --------- ------------ ------------- ----------------
1 N/A N/A N/A N/A N/A N/A N/A N/A
TRAY RATING RESULTS
PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF DROP GPM/LWI BACKUP, PCT
CFS HOTGPM CFS MM KPA GPM/IN TRAY SPACING
-------- --------- ------------ --------- ------------ -------- ------------ ---------------- ------------------------
2 21.45 18.73 .968 610.0 81.0 .847 1.5 30.18
3 21.08 17.00 .915 610.0 76.7 .793 1.4 28.51
4 20.66 13.57 .813 610.0 68.7 .705 1.2 25.54
5 20.38 9.72 .688 610.0 59.2 .627 .9 22.46
6 20.38 8.44 .644 610.0 55.9 .611 .8 21.51
7 20.25 8.24 .634 610.0 55.1 .607 .8 21.33
8 20.04 8.22 .630 610.0 54.7 .604 .8 21.27
9 19.81 8.22 .627 610.0 54.3 .601 .8 21.22
10 21.18 42.11 .670 610.0 71.1 .795 2.6 27.45
11 21.06 42.06 .666 610.0 70.7 .791 2.6 27.37
12 20.92 42.04 .663 610.0 70.4 .788 2.6 27.31
13 20.78 42.04 .661 610.0 70.1 .785 2.6 27.26
14 20.62 42.05 .659 610.0 69.8 .782 2.6 27.21
15 20.47 42.07 .657 610.0 69.5 .780 2.6 27.17
16 20.31 42.10 .655 610.0 69.2 .778 2.6 27.14
17 20.15 42.13 .653 610.0 68.9 .776 2.6 27.11
18 20.00 42.17 .652 610.0 68.7 .774 2.6 27.08
19 19.85 42.20 .650 610.0 68.4 .772 2.6 27.05
39
SIMULATION SCIENCES INC. R PAGE P-49
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
COLUMN SUMMARY Mar95
==============================================================================
UNIT 15, T-3, MEOH COLUMN (CONT)
ESTIMATED TRAY MECHANICAL DETAILS
SECTION TRAY ------------ DOWNCOMER WIDTHS, MM -------------------- NO VALVES
SIDE CENTER OFF-CTR OFF-SIDE OR CAPS
------------- -------- ------------- -------------------- ----------------- ----------------- -----------------
1 2 47.32 N/A N/A N/A N/A
1 3 44.31 N/A N/A N/A N/A
1 4 38.05 N/A N/A N/A N/A
1 5 30.39 N/A N/A N/A N/A
1 6 27.63 N/A N/A N/A N/A
1 7 27.19 N/A N/A N/A N/A
1 8 27.14 N/A N/A N/A N/A
1 9 27.15 N/A N/A N/A N/A
1 10 82.22 N/A N/A N/A N/A
1 11 82.15 N/A N/A N/A N/A
1 12 82.13 N/A N/A N/A N/A
1 13 82.12 N/A N/A N/A N/A
1 14 82.14 N/A N/A N/A N/A
1 15 82.17 N/A N/A N/A N/A
1 16 82.21 N/A N/A N/A N/A
1 17 82.25 N/A N/A N/A N/A
1 18 82.29 N/A N/A N/A N/A
1 19 82.34 N/A N/A N/A N/A
* NOTE THIS VALUE WAS NOT CALCULATED
40
SIMULATION SCIENCES INC. R PAGE P-52
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Mar95
==============================================================================
STREAM ID CW MKUP WOUT 1
NAME MKUP WATER MEOH FEED
PHASE LIQUID LIQUID LIQUID LIQUID
FLUID RATES, KG-MOL/HR
1 NC4 .0000 .0000 .0000 .0000
2 IC4 .0000 .0000 .0000 .0000
3 1BUTENE .0000 .0000 .0000 .0000
4 BTC2 .0000 .0000 .0000 .0000
5 BTT2 .0000 .0000 .0000 .0000
6 IBTE .0000 .0000 .0000 .0000
7 MTBE .0000 .0000 .0000 .0000
8 MEOH .0000 .0000 .0000 277.5000
9 TBA .0000 .0000 .0000 .0000
10 H2O 9700.2010 .6086 9700.2010 .0000
11 DIB .0000 .0000 .0000 .0000
TOTAL RATE, KG-MOL/HR 9700.2010 .6086 9700.2010 277.5000
TEMPERATURE, C 21.0000 38.0000 26.1637 16.0000
PRESSURE, KPA 690.0000 350.0000 318.1725 1620.0000
ENTHALPY, M*KJ/HR 12.2424 1.5901E-03 16.2145 -.0626
MOLECULAR WEIGHT 18.0150 18.0150 18.0150 32.0420
MOLE FRAC VAPOR .0000 .0000 .0000 .0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000
STREAM ID 2 3 4 5
NAME OLEFINS
PHASE LIQUID LIQUID LIQUID LIQUID
FLUID RATES, KG-MOL/HR
1 NC4 76.5000 76.5019 76.5019 76.5019
2 IC4 348.5000 348.5030 348.5030 348.5030
3 1BUTENE 59.5000 59.5000 59.5000 59.5000
4 BTC2 34.0000 34.0001 34.0001 34.0001
5 BTT2 51.0000 51.0000 51.0000 51.0000
6 IBTE 280.5000 280.5000 17.6839 17.6839
7 MTBE .0000 2.2224E-05 261.9277 261.9277
8 MEOH .0000 281.6427 19.7150 19.7150
9 TBA .0000 4.4948E-13 .1871 .1871
10 H2O .0000 .1871 .0000 .0000
11 DIB .0000 .0000 .3506 .3506
TOTAL RATE, KG-MOL/HR 850.0000 1131.8350 869.3694 869.3694
41
SIMULATION SCIENCES INC. R PAGE P-53
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Mar95
==============================================================================
STREAM ID 2 3 4 5
NAME OLEFINS
PHASE LIQUID LIQUID LIQUID LIQUID
TEMPERATURE, C 16.0000 43.5000 55.0000 72.0000
PRESSURE, KPA 1620.0000 1585.5000 1516.5000 1482.0000
ENTHALPY, M*KJ/HR 1.6339 7.4660 7.4127 9.8625
MOLECULAR WEIGHT 57.1160 50.8702 66.2278 66.2278
MOLE FRAC VAPOR .0000 .0000 .0000 .0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000
STREAM ID 6 6P 7 8
NAME T-1 OVHD MTBE
PHASE LIQUID LIQUID LIQUID LIQUID
FLUID RATES, KG-MOL/HR
1 NC4 76.5017 76.5017 1.5980E-04 1.5980E-04
2 IC4 348.5029 348.5029 4.4492E-05 4.4492E-05
3 1BUTENE 59.5000 59.5000 6.1355E-05 6.1355E-05
4 BTC2 33.9996 33.9996 4.6748E-04 4.6748E-04
5 BTT2 50.9997 50.9997 3.0621E-04 3.0621E-04
6 IBTE 2.2556 2.2556 1.4575E-06 1.4575E-06
7 MTBE 4.4354E-03 4.4354E-03 277.3516 277.3516
8 MEOH 4.1771 4.1771 .1096 .1096
9 TBA 3.2699E-10 3.2699E-10 .1871 .1871
10 H2O .0000 .0000 .0000 .0000
11 DIB 1.4317E-12 1.4317E-12 .3506 .3506
TOTAL RATE, KG-MOL/HR 575.9411 575.9411 278.0000 278.0000
TEMPERATURE, C 43.5000 43.7245 129.0674 89.5676
PRESSURE, KPA 621.0000 827.0000 697.5000 663.0000
ENTHALPY, M*KJ/HR 3.4055 3.4249 7.1853 4.7355
MOLECULAR WEIGHT 57.4214 57.4214 88.1477 88.1477
MOLE FRAC VAPOR .0000 .0000 .0000 .0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000
42
SIMULATION SCIENCES INC. R PAGE P-54
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Mar95
==============================================================================
STREAM ID 9 10 11 12
NAME C4S
PHASE LIQUID LIQUID LIQUID LIQUID
FLUID RATES, KG-MOL/HR
1 NC4 76.5017 3.5071E-15 76.4964 5.3472E-03
2 IC4 348.5029 3.5079E-16 348.4884 .0146
3 1BUTENE 59.5000 9.5072E-18 59.4998 1.5195E-04
4 BTC2 33.9996 2.1428E-16 33.9994 1.9789E-04
5 BTT2 50.9997 6.0544E-18 50.9996 1.0287E-04
6 IBTE 2.2556 3.3171E-15 2.2556 5.1219E-06
7 MTBE 4.4354E-03 4.7170E-15 4.4129E-03 2.2466E-05
8 MEOH 4.1771 .0210 3.6309E-03 4.1942
9 TBA 3.2699E-10 2.0917E-15 3.2802E-10 2.9373E-13
10 H2O .0000 374.9998 .4101 374.5899
11 DIB 1.4317E-12 .0000 4.6466E-12 5.6091E-24
TOTAL RATE, KG-MOL/HR 575.9411 375.0208 572.1573 378.8045
TEMPERATURE, C 38.0000 38.0000 38.7285 38.8592
PRESSURE, KPA 792.5000 793.0000 792.0000 792.0000
ENTHALPY, M*KJ/HR 2.9436 .9829 2.9184 1.0081
MOLECULAR WEIGHT 57.4214 18.0158 57.5782 18.1725
MOLE FRAC VAPOR .0000 .0000 .0000 .0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000
STREAM ID 13 14 15 16
NAME FLARE GAS
PHASE LIQUID MIXED VAPOR LIQUID
FLUID RATES, KG-MOL/HR
1 NC4 5.3472E-03 5.3472E-03 3.4358E-03 1.9115E-03
2 IC4 .0146 .0146 .0116 2.9666E-03
3 1BUTENE 1.5195E-04 1.5195E-04 1.2109E-04 3.0860E-05
4 BTC2 1.9789E-04 1.9789E-04 1.2642E-04 7.1469E-05
5 BTT2 1.0287E-04 1.0287E-04 8.2306E-05 2.0563E-05
6 IBTE 5.1219E-06 5.1219E-06 4.1733E-06 9.4868E-07
7 MTBE 2.2466E-05 2.2466E-05 7.1040E-08 2.2395E-05
8 MEOH 4.1942 4.1942 8.9556E-04 4.1934
9 TBA 2.9373E-13 2.9373E-13 6.0438E-15 2.8769E-13
10 H2O 374.5899 374.5899 .0112 374.5787
11 DIB 5.6091E-24 5.6091E-24 4.0613E-28 5.6087E-24
TOTAL RATE, KG-MOL/HR 378.8045 378.8045 .0274 378.7771
43
SIMULATION SCIENCES INC. R PAGE P-55
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Mar95
==============================================================================
STREAM ID 13 14 15 16
NAME FLARE GAS
PHASE LIQUID MIXED VAPOR LIQUID
TEMPERATURE, C 99.0000 99.0991 99.0991 99.0991
PRESSURE, KPA 757.5000 241.0000 241.0000 241.0000
ENTHALPY, M*KJ/HR 2.7497 2.7497 1.0558E-03 2.7487
MOLECULAR WEIGHT 18.1725 18.1725 40.9009 18.1708
MOLE FRAC VAPOR .0000 7.2406E-05 1.0000 .0000
MOLE FRAC LIQUID 1.0000 .9999 .0000 1.0000
STREAM ID 17 18 19 20
NAME MEOH RECYC
PHASE LIQUID LIQUID LIQUID LIQUID
FLUID RATES, KG-MOL/HR
1 NC4 1.9115E-03 3.5071E-15 1.9115E-03 1.9115E-03
2 IC4 2.9666E-03 3.5079E-16 2.9666E-03 2.9666E-03
3 1BUTENE 3.0860E-05 9.5072E-18 3.0860E-05 3.0860E-05
4 BTC2 7.1469E-05 2.1428E-16 7.1469E-05 7.1469E-05
5 BTT2 2.0563E-05 6.0544E-18 2.0563E-05 2.0563E-05
6 IBTE 9.4868E-07 3.3171E-15 9.4868E-07 9.4868E-07
7 MTBE 2.2395E-05 4.7170E-15 2.2395E-05 2.2395E-05
8 MEOH 4.1934 .0210 4.1724 4.1724
9 TBA 2.8769E-13 2.0917E-15 2.8559E-13 2.8559E-13
10 H2O 374.5787 374.3913 .1873 .1873
11 DIB 5.6087E-24 .0000 .0000 .0000
TOTAL RATE, KG-MOL/HR 378.7771 374.4123 4.3647 4.3647
TEMPERATURE, C 99.1817 115.7024 30.0000 30.5274
PRESSURE, KPA 690.0000 172.5000 103.5000 1724.0000
ENTHALPY, M*KJ/HR 2.7539 3.1838 4.6134E-03 5.0499E-03
MOLECULAR WEIGHT 18.1708 18.0158 31.4703 31.4703
MOLE FRAC VAPOR .0000 .0000 .0000 .0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000
44
SIMULATION SCIENCES INC. R PAGE P-56
PROJECT MTBECASEBOOK PRO/II VERSION 4.02 386/EM
PROBLEM MTBE PLANT OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Mar95
==============================================================================
STREAM ID 21 22
NAME
PHASE LIQUID LIQUID
FLUID RATES, KG-MOL/HR
1 NC4 3.5071E-15 3.5071E-15
2 IC4 3.5079E-16 3.5079E-16
3 1BUTENE 9.5072E-18 9.5072E-18
4 BTC2 2.1428E-16 2.1428E-16
5 BTT2 6.0544E-18 6.0544E-18
6 IBTE 3.3171E-15 3.3171E-15
7 MTBE 4.7170E-15 4.7170E-15
8 MEOH .0210 .0210
9 TBA 2.0917E-15 2.0917E-15
10 H2O 374.9998 374.9998
11 DIB .0000 .0000
TOTAL RATE, KG-MOL/HR 375.0208 375.0208
TEMPERATURE, C 115.7115 54.0512
PRESSURE, KPA 862.0000 827.5000
ENTHALPY, M*KJ/HR 3.1933 1.4516
MOLECULAR WEIGHT 18.0158 18.0158
MOLE FRAC VAPOR .0000 .0000
MOLE FRAC LIQUID 1.0000 1.0000
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