CHAPTER 8 SOLUTIONS

8.1 The attainable region is constructed as follows:

Step 1: Begin by constructing a trajectory for a PFR from the feed point, continuing to
the complete conversion of A or chemical equilibrium. In this case, the PFR
trajectory is computed by solving simultaneously the kinetic equations for A
and C:
dC A
=− k1 − k2C A − k3C A2 (1.1)
dτ
dCC
= k2C A (1.2)
dτ
where τ is the PFR residence time. The trajectory in CA–CC space is plotted in
Fig. 1 as curve ABC.

Step 2: When the PFR trajectory bounds a convex region, this constitutes a candidate
attainable region. When the rate vectors at concentrations outside of the
candidate AR do not point back into it, the current limits are the boundary of
the AR and the procedure terminates. In Fig.1, the PFR trajectory is not convex,
so proceed to the next step.

Step 3: The PFR trajectory is expanded by linear arcs, representing mixing between the
PFR effluent and the feed stream, extending the candidate attainable region.
Here, a linear arc AB is introduced to form a convex hull, from the feed point
A to a point B, tangent to the PFR trajectory, as shown in Fig.1. Since for this
example, rate vectors computed along this arc are found to point out of the
extended AR, proceed to the next step.

Step 4: Since there are vectors pointing out of the convex hull, formed by the union
between the PFR trajectory and linear mixing arcs, it is possible that a CSTR
trajectory enlarges the attainable region. After placing the CSTR trajectory that
extends the AR the most, additional linear arcs that represent the mixing of
streams are placed to ensure that the AR remains convex. The CSTR trajectory
is computed by solving the CSTR form of the kinetic equations for A and C,
given by Eqs. (2.1) and (2.2) as a function of the residence time, τ:

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 C A0 − C A = τ ( k1 + k2C A + k3C A2 ) (1.3)

CB = τ k2C A (1.4)

For this example, the CSTR trajectory that extends the AR most is that
computed from the feed point, at CAO, the largest concentration of A. This is
indicated as curve ADBE in Fig.1, which passes through point B. Since the
union of the previous AR and the CSTR trajectory is not convex, a linear arc,
AD, is augmented as shown in the figure. This arc represents a CSTR with a
by-pass stream.

Step 5: A PFR trajectory is drawn from the position where the mixing line meets the
CSTR trajectory. If this PFR trajectory is convex, it extends the previous AR to
form an expanded candidate AR. Then return to Step 2. Otherwise, repeat the
procedure from Step 3. As shown in Fig.1, the PFR trajectory, DF, leads to a
convex attainable region. The boundaries of the region are: (a) the linear arc,
AD, which represents a CSTR with bypass stream; (b) the point D, which
represents a CSTR; (c) the arc DF, which represents a CSTR followed by a PFR
in series; (d) the CA = 0 axis; and (e) the CC = 0 axis. The point F, involving a
CSTR and PFR in series, gives the largest yield of C, while the biggest
selectivity is given at point D, with a CSTR.

Figure 1. Constructing the AR for Exercise 8.1.

SM-8-2
8.2 The attainable region is constructed as follows:

Step 1: Begin by constructing a trajectory for a PFR from the feed point, continuing to
the complete conversion of A or chemical equilibrium. In this case, the PFR
trajectory is computed by solving simultaneously the kinetic equations for A
and C:
dC A
=
− k1C A − k2C A − k3C A2 (2.1)
dτ
dCC
= k2C A (2.2)
dτ
where τ is the PFR residence time. The trajectory in CA–CC space is plotted in
Fig. 2 as curve AB.

Step 2: When the PFR trajectory bounds a convex region, this constitutes a candidate
attainable region. When the rate vectors at concentrations outside of the
candidate AR do not point back into it, the current limits are the boundary of
the AR and the procedure terminates. In Fig.2, the PFR trajectory is not convex,
so proceed to the next step.

Step 3: The PFR trajectory is expanded by linear arcs, representing mixing between the
PFR effluent and the feed stream, extending the candidate attainable region.
Here, a linear arc ACB is introduced to form a convex hull, from the feed point
A to a point B, as shown in Fig.2. Since for this example, rate vectors computed
along this arc are found to point out of the extended AR, proceed to the next
step.

Step 4: Since there are vectors pointing out of the convex hull, formed by the union
between the PFR trajectory and linear mixing arcs, it is possible that a CSTR
trajectory enlarges the attainable region. After placing the CSTR trajectory that
extends the AR the most, additional linear arcs that represent the mixing of
streams are placed to ensure that the AR remains convex. The CSTR trajectory
is computed by solving the CSTR form of the kinetic equations for A and C,
given by Eqs. (2.1) and (2.2) as a function of the residence time, τ:
C A0 − C=
A τ ( k1C A + k2C A + k3C A2 ) (2.3)

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 CB = τ k2C A (2.4)

For this example, the CSTR trajectory that extends the AR most is that
computed from the feed point, at CAO, the largest concentration of A. This is
indicated as curve ACD in Fig.2. Since the union of the previous AR and the
CSTR trajectory is not convex, a linear arc, AED, is augmented as shown in the
figure. This arc represents a CSTR with a by-pass stream. Thus, the boundaries
of the region are: (a) the linear arc, AED, which represents a CSTR with bypass
stream; (b) the point D, which represents a CSTR; (c) the CA = 0 axis; and (d)
the CC = 0 axis. The point D, which is a CSTR, gives both the largest yield and
the biggest selectivity of C.

Figure 2. Constructing the AR for Exercise 8.2.

SM-8-4
8.3 The attainable region is constructed as follows:

Step 1: Begin by constructing a trajectory for a PFR from the feed point, continuing to
the complete conversion of A or chemical equilibrium. In this case, the PFR
trajectory is computed by solving simultaneously the kinetic equations for A and
C:
dC A
− k1C A2 − k2CC − ( k3 + k4 ) C A
= (3.1)
dτ
dCC
= k1C A2 − k2CC (3.2)
dτ
where τ is the PFR residence time. The trajectory in CA–CC space is plotted in
Fig. 3 as curve ABD. In this example, component A is completely converted.

Step 2: When the PFR trajectory bounds a convex region, this constitutes a candidate
attainable region. When the rate vectors at concentrations outside of the
candidate AR do not point back into it, the current limits are the boundary of
the AR and the procedure terminates. In Fig.3, the PFR trajectory is not convex,
so proceed to the next step.

Step 3: The PFR trajectory is expanded by linear arcs, representing mixing between the
PFR effluent and the feed stream, extending the candidate attainable region.
Here, a linear arc is introduced to form a convex hull, from point D on the PFR
trajectory to a point C, tangent to it, as shown in Fig.3. Note that PFR
trajectories computed along this linear arc all point into the AR. A CSTR
trajectory, computed by solving the set:
C A0 − C=
A τ ( k1C A2 + k2CC + ( k3 + k4 ) C A ) (3.3)

CB τ ( k1C A2 − k2CC )
= (3.4)

is the curve AED in Fig.1, which is also inside the AR.

The AR for Exercise 8.4 is therefore bounded by: (a) the arc ABC, which is a
PFR from the feed point A; (b) the arc CD, which represents a bypassed PFR;

SM-8-5
and (c) the CC = 0 axis. Note that the CSTR trajectory, AED, from the feed point
lies inside the AR. The point B gives the largest yield of C.

Figure 3. Constructing the AR for Exercise 8.3.

SM-8-6
8.4 Since the selected independent components are methane and hydrogen, Eq. (8.51) is
redefined as:
T
=∆n =   ∆nCH4 , ∆nH2 
 ∆ n d ∆ ni   ∆nCO , ∆nH2O , ∆nCO2
T T T (4.1)

Substituting into the matrix A gives the following where the rows, starting at the top,
correspond to C, H, and O, respectively.
1 0 1 1 0
= Ad Ai   0
A = 2 0 4 2 (4.2)
 
1 1 2 0 0
The dependent molar changes, ∆ n d , are expressed in terms of the molar changes in

methane and carbon monoxide, using Eq. (7.54):

 ∆n   −4 −1  ∆n
 CO   −2  CH4 
− 1 
−1
∆nd =
 ∆nH2O  =
− Ad Ai ∆ ni = (4.3)
  ∆n 
  1   H2 
 ∆nCO2  3
For example, if ∆nCH4 = 7 mol, Eq. (4.3) gives ∆nCO =
−2 mol and ∆nH2 = 1 mol, ∆nH2O =

−3 mol, and ∆nCO2 =

1 mol, which satisfies the atom balances. The feed would have to

contain more than 2 moles of methane and more than 3 moles of water.

SM-8-7
8.5 This exercise is solved using HYSYS. The HYSYS PFD below indicates how the
simulation is put together. Note that each of the three PFRs is defined as a diabatic bed
with uniform heat transfer rate. The optimizer is set up to manipulate the effluent
temperatures in each bed, to maximize the ammonia effluent composition.

To maximize the conversion in the reactor, the following nonlinear program (NLP) of the
type discussed in Chapter 21, is formulated:
max
w. r. t. ξ (5.1)
T1 , T2 , T3
Subject to (s. t.)
f (x ) = 0 (5.2)
270 ≤ T1 ≤ 450 oC (5.3)
270 ≤ T2 ≤ 450 oC (5.4)
270 ≤ T3 ≤ 450 oC (5.5)
In the above, Eq. (5.2) refers to the kinetics and material and energy balances for the
converter, and Eqs. (5.3) – (5.5) define upper and lower limits for the effluent temperatures
of each bed.

SM-8-8
The NLP in Eqs. (5.1)–(5.5) is solved efficiently using successive quadratic programming
(SQP) in HYSYS, described in Chapter 21. The final ammonia composition in the
converter effluent is 24 mol %, obtained with optimal effluent temperatures of 358, 320
and 272oC, respectively, with Q1 = 57,850 kW, Q2 = 61,950 kW, and Q3 = 40,740 kW.

The above graph shows the cold-shot profile obtained in Example 8.5, with an ammonia
effluent composition of 15.9 mol %. The design involving uniform heat transfer in each
bed of 2 m length is also shown in the figure, demonstrating that this more precise
temperature control means that the reactor temperature-composition trajectory more
closely matches the optimal trajectory, indicated as the dashed red line.

SM-8-9
Exercise 8.6 – Cumene process with drag (purge) streams Page 1

The flowsheet for the process is a modification to that shown in Figure 7S.1 as follows:
1. Add a distillation column, C4, whose feed is the bottoms from C3. The distillate from
C4 is sent to the Trans-alkylation Reactor and the bottoms is a alkylation heavies and trans-
alkylation heavies.
2. Add a purge stream, Drag 1, from the distillate of the benzene recovery column, C2.
3. Add a purge stream, Drag 2, from the bottoms of the cumene recovery column, C3.

The process has two feed streams, a benzene-rich feed, and a propylene-rich feed, which
provide the main reactants. The modified process has five exiting streams:
1. Propane-rich product
2. Cumene-rich product
3. Alkylation heavies-rich product
4. Drag 1
5. Drag 2

The two feeds contain a total of six inert species:

Water, Ethane, Propane, Isobutane, MCP, and MCH
The reactions produce the following species, which are not products:
n-Propylbenzene, t-Butylbenzene, and p-Cymene.
In addition, all of the toluene in the benzene-rich feed is not reacted.
All of the propylene, and 1-butene in the two feeds are consumed in the Alkylation Reactor.
All of the m-DIPB and p-DIPB produced in the Alkylation Reactor are consumed in the Trans-
alkylation Reactor.
Thus, provisions for exiting the process must be provided for:
Water, Ethane, Isobutane, MCP, MCH, Toluene, n-Propylbenzene, t-Butylbenzene, and
p-Cymene. These exits are primarily as follows:
Propane-rich product: Water, Ethane, and Isobutane.
Drag 1: MCP, MCH, and unreacted Toluene.
Drag 2: n-Propylbenzene, t-Butylbenzene, and p-Cymene.
Some losses of Benzene, Cumene, m-DIPB, and p-DIPB occur in the products.

One approach to the solution of this exercise is as follows:

1. Using a spreadsheet with the given feeds and the product distribution of the
Alkylation Reactor, compute the reactor effluent. As a first approximation, assume a benzene
recycle stream of pure benzene at a flow rate sufficient to provide a molar ratio of benzene to
propylene in the combined feed of 4.
2. Calculate the distillate and bottoms from the depropanizer using the shortcut FUG
method for a column pressure that will give a vapor distillate at 120oF.
3. Make preliminary calculations for the Trans-alkylation Reactor.

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Exercise 8.6 – Cumene process with drag (purge) streams Page 2

4. Estimate the benzene recycle to the Trans-alkylation Reactor.

5. Perform a complete process calculation using a simulator.

Material balance for Alkylation Reactor in lbmol/hr computed from given feeds and product
distribution for the reactor.
Using the given molecular weights, the given product distribution in “change in pounds per 100
pounds of propylene” is first converted with a spreadsheet to “change in lbmoles per 1,209.2075
lbmoles of propylene. The benzene recycle stream is a preliminary estimate, assuming pure
benzene and a molar ratio of 4 for benzene to propylene. The reactor effluent is then computed.
Other components in the benzene recycle will pass through the reactor and add to the reactor
effluent.

Component Propylene Benzene Benzene Reactor

-rich -rich recycle effluent
feed feed
Water 0.1800 0.1800
Ethane 4.6440 4.6440
Propylene 1,029.2075 0.0000
Propane 465.6127 465.6127
1-Butene 0.0300 0.0000
Isobutane 0.3135 0.3135
Methylcyclopentane 1.1570 1.1570
Benzene 997.5130 3,119.3191 3,184.4370
Methylcyclohexane 0.2030 0.2030
Toluene 0.1270 0.0264
Cumene 838.4544
n-Propylbenzene 0.1246
t-Butylbenzene 0.0258
p-Cymene 0.0986
m-DIPB 54.2475
p-DIPB 39.4348
Trans-alkylation heavies 0.0000
Alkylation heavies 0.6771

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Exercise 8.6 – Cumene process with drag (purge) streams Page 3

Material balance for the Depropanizer, C1:

A reasonable basis for the calculation is:
Feed is the alkylation reactor effluent at the bubble point at column pressure.
Column pressure corresponding to a vapor distillate at 120oF.
The separation is an easy one between propane and benzene.
Assume a propane recovery of 0.9999.
Assume a benzene recovery (in the distillate) of 0.000005 in order to meet the
specification of no more than 0.01 wt% aromatics in the propane product, which will be used
for fuel gas.
Assume a reflux-to-minimum reflux of 1.5.
The result using the Shortcut distillation model of ChemCad is a column top pressure of 250
psia, 28 theoretical stages, and a reflux ratio of 11.

Component Reactor Distillate Bottoms

effluent
Water 0.1800 0.1800 0.0000
Ethane 4.6440 4.6440 0.0000
Propylene 0.0000 0.0000 0.0000
Propane 465.6127 465.5661 0.0466
1-Butene 0.0000 0.0000 0.0000
Isobutane 0.3135 0.3090 0.0045
Methylcyclopentane 1.1570 0.0000 1.1570
Benzene 3,184.4370 0.0260 3,184.4110
Methylcyclohexane 0.2030 0.0000 0.2030
Toluene 0.0264 0.0000 0.0264
Cumene 838.4544 0.0000 838.4544
n-Propylbenzene 0.1246 0.0000 0.1246
t-Butylbenzene 0.0258 0.0000 0.0258
p-Cymene 0.0986 0.0000 0.0986
m-DIPB 54.2475 0.0000 54.2475
p-DIPB 39.4348 0.0000 39.4348
Trans-alkylation heavies 0.0000 0.0000 0.0000
Alkylation heavies 0.6771 0.0000 0.6771

It is seen that an exit is provided for Water, Ethane, and almost 99% of the Isobutane.

SM-8-12
Exercise 8.6 – Cumene process with drag (purge) streams Page 4

The bottoms from the Depropanizer is mixed with recycle effluent from the Trans-alkylation
Reactor before being sent to the Benzene Column, C2. Thus, it is necessary to obtain a first
approximation of that recycle stream before calculating the Benzene Column. This is done by
computing the effluent from the Trans-alkylation Reactor with a spreadsheet using the given
product distribution. Using the given molecular weights, the given product distribution in
“change in pounds per 100 pounds of propylene” is first converted with a spreadsheet to
“change in lbmoles per 1,209.2075 lbmoles of propylene. However, the feed to the Trans-
alkylation Reactor is not known at this point, but it is known that only 50% of the DIPBs are
converted and the combined feed contains a molar ratio of benzene to DIPBs of 4. The source
of the combined feed to the Trans-alkylation Reactor is the distillate from the DIPB column,
C4, and a benzene-rich stream, which is part of the distillate from the Benzene Column, C2.
The distillate from the DIPB column, C4 is likely to consist mainly of DIPBs. However, the
cumene from the Cumene Column, C3, must be of exceptional purity (99.97 wt% minimum),
with very small amounts of impurities the boil near cumene. Thus, this may mean that the
bottoms from C3, part of which is purged (Drag 2), may have to contain an appreciable amount
of cumene. So, first examine this by computing a first approximation of the Cumene Column,
C3.

From the above material balance table, calculate what the composition of the cumene product
would be if it contained all of the MCH, toluene, cumene, n-Propylbenzene (nPB), t-
Butylbenzene (tBB), and p-Cymene in the bottoms from C1. The result is:

Component C1 Bottoms, C1 Bottoms, C1 Specification,

lbmol/hr lb/hr Bottoms, ppm by wt
ppm by wt
MCH 0.2030 19.9326 198
Toluene 0.0264 2.4330 24 15
Cumene 838.4544 100,782.2189 99.94 wt% 99.97 wt%
nPB 0.1246 14.9770 149
tBB 0.0258 3.4624 34 40
p-Cymene 0.0986 13.2321 131 10
Total 100,836.2560

From these results, we see that Toluene is close to its maximum, tBB is below its maximum, but
p-Cymene far exceeds its maximum. Also the sum of the ppms for MCH and nPB equals 347,
which exceeds the 225 for other components. Thus, the specifications for the Cumene Column
are critical, particularly for removing the p-Cymene, which boils only 24.7oC higher than
Cumene. Two methods for meeting the Cumene product specifications in the Cumene Column
are: (1) make a very sharp split between Cumene and p-Cymene and (2) allow an appreciable
amount of Cumene to go to the bottoms, taking with it most of the p-Cymene. The first
alternative may result in a very large column, while the second may result in a small column,
but will result in an appreciable loss of Cumene to Drag 2.

Exercise 8.6 – Cumene process with drag (purge) streams Page 5

SM-8-13
First, check the first alternative using the shortcut FUG distillation method. Assume operation
at 20 psia, a reflux-to-minimum ratio of 1.2, a cumene recovery of 0.9999 and a p-Cymene
recovery to distillate of 10/131 = 0.075. The calculation does not account for the recycle of
benzene and the recycle of the reactor effluent from the Trans-alkylation Reactor, but these two
recycles should not appreciably affect the number of equilibrium stages or the reflux ratio. The
results indicate that the column will require about 50 theoretical stages and a reflux ratio of
about 1.7. Since this is reasonable and will result in the minimum loss of cumene, use this
alternative.

Assume now that the component flow rates in the combined feed to the Trans-alkylation
Reactor are those in the table below, which account for the 50% conversion of the DIPBs and
the Benzene-to-DIPB ratio of 4. Included in the table is the estimate of the reactor effluent
based on the given product distribution, converted to lbmol/hr.

Component Reactor feed Reactor effluent

Benzene 741.3528 650.6710
Methylcyclohexane 0.0000 0.0000
Toluene 0.0000 0.0000
Cumene 0.0840 182.9952
n-Propylbenzene 0.0003 0.0317
t-Butylbenzene 0.0068 0.0045
p-Cymene 0.0912 0.0831
m-DIPB 107.9780 53.9890
p-DIPB 77.3602 38.6801
Trans-alkylation heavies 0.0000 0.6701
Alkylation heavies 0.0000 0.0000

With these results as a first approximation, the entire flowsheet can now be calculated using a
simulator. Heat exchangers and pumps are not included because energy balances are not
needed.

Using ChemCad, the Alkylation Reactor is modeled with three EREACT modules, using the
fraction converted option. The Trans-alkylation Reactor is modeled with two EREACT
modules using the fraction converted option. The fractions converted are computed from the
given product distributions. Controllers are used to determine the two benzene recycle streams
so as to give the molar ratios of 4.

SM-8-14
Exercise 8.6 – Cumene process with drag (purge) streams Page 6

In applying a simulator, an immediate problem arises. With the added column, C4 and the
added drag streams, the given fresh benzene feed does provide sufficient benzene to carry out
the reactions in the two reactors. In the feedstock table on page SM-7-14, the mole ratio of feed
benzene to feed propylene is:
997.5130/1029.2075 = 0.9692
Converting this to a mass ratio of feed benzene to feed propylene is:
0.9692(78.12)/42.08 = 1.7993
From the product distributions given on page SM-7-?, the mass ratio needed just for the
reactions only, and not any losses to other streams is:
(168.1835 + 16.3570)/100 = 1.8454
Thus, more benzene feed is needed.
To make calculations with a simulator, initial guesses are required for the fresh benzene
feed, the recycle benzene sent to the Alkylation Reactor, and the effluent from the Trans-
alkylation Reactor. In addition, the total flow rates of the two drag streams must be specified or
computed by difference to satisfy material balances. The benzene required for the two reactors
corresponds to the above mass ratio of 1.8454. This is equivalent to a mole ratio of
1.8454(44.11/78.12) = 1.042. Thus, for a propylene feed of 1,029.2075 lbmol/hr, we need
1.042(1,029.2075) = 1,072.43 lbmol/hr of benzene. Assume a total benzene loss of 20 lbmol/hr.
Then, the benzene in the feed is 1,092.43 lbmol/hr. Since the benzene feed is 99.8513 mol%
benzene, the total benzene feed (all components) is 1,092.43/0.998513 = 1,094.06 lbmol/hr. For
the initial guess of the recycle benzene sent to the Alkylation reactor, a value of 3,024.4
lbmol/hr can be used, which satisfies the above-discussed molar ratio of 4 for benzene to
propylene. For the initial guess of the effluent from the Trans-alkylation Reactor, the values in
the above table can be used. Finally, set the flow rate of benzene in the recycle benzene sent to
the Trans-alkylation reactor at value of 741.3528 lbmol/hr from the above table.
The following are converged results from use of the ChemCad simulator. Although
three controllers are included only one was used, the one on the combined feed to the
Alkylation Reactor, which adjusts the benzene recycle flow rate to give a molar ratio of benzene
to propylene in the combined feed equal to 4.
As follows, the results come very close to satisfying all the requirements:
1. Mole% cumene in the combined feed to the Alkylation Reactor = 1.28
2. Cumene impurities are below spec except for cymene (13 ppm) and benzene (24
ppm). These can be further reduced by adjusting the specifications for the columns.
3. All inerts and minor reactants or products are provided an exit from the process and
are within 99% of material balance.
4. The propane product contains 0.012 wt% aromatics, which is 20% above spec.
5. Benzene recycle is 95.8 mol% benzene.
6. The heavies product contains 5.06 wt% DIPBs.
7. The benzene to DIPBs ratio in the combined feed to the Trans-alkylation Reactor is
4.26, which is higher than the specified value of 4.
The annual production rate of cumene = 992(120.2)(8760)(0.9) = 992,000,000 lb/yr.
The % yield from benzene = 992/1091 = 0.909 or 90.9%.

SM-8-15
Exercise 8.6 – Cumene process with drag (purge) streams Page 7

ChemCad results:

FLOWSHEET SUMMARY

Equipment Label Stream Numbers

1 EREA alkylator 26 -4
2 MIXE feed mixer 18 2 -3
3 SHOR depropanizer 23 -5 -6
4 MIXE 17 6 -7
5 SHOR benzene col 7 -11 -9
6 SHOR cumene col 9 -12 -13
7 SHOR dipb col 19 -14 -15
8 DIVI benz split 11 -24 -21
9 MIXE mixer 24 14 -16
10 MIXE mixer 8 1 -18
11 EREA trans alkylr 27 -25
12 DIVI 13 -19 -20
13 EREA 22 -23
14 EREA 4 -22
15 EREA 25 -17
16 DIVI 21 -8 -10
17 CONT 3 -26
18 CONT 16 -27
19 CONT 10 -28

Stream Connections

Stream Connections

Stream Equipment Stream Equipment Stream Equipment

From To From To From To
1 10 11 5 8 21 8 16
2 2 12 6 22 14 13
3 2 17 13 6 12 23 13 3
4 1 14 14 7 9 24 8 9
5 3 15 7 25 11 15
6 3 4 16 9 18 26 17 1
7 4 5 17 15 4 27 18 11
8 16 10 18 10 2 28 19
9 5 6 19 12 7
10 16 19 20 12

Calculation mode : Sequential

Equipment Calculation Sequence

1 14 13 3 4 5 8 6 12 7 16 10 2 17 9 18 11 15
19

Equipment Recycle Sequence

1 14 13 3 4 5 8 6 12 7 16 10 2 17 9 18 11 15

Recycle Cut Streams

26 17

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Exercise 8.6 – Cumene process with drag (purge) streams Page 8
Recycle Convergence Method: Direct Substitution

Max. loop iterations 100

Recycle Convergence Tolerance

Flow rate 1.000E-004

Temperature 1.000E-003
Pressure 1.000E-003
Enthalpy 1.000E-003
Vapor frac. 1.000E-003

Recycle calculation has converged.

COMPONENTS
ID # Name
1 62 Water
2 3 Ethane
3 23 Propylene
4 4 Propane
5 24 1-Butene
6 5 I-Butane
7 37 MthCyclopentane
8 40 Benzene
9 39 MthCyclohexane
10 41 Toluene
11 70 N-Propylbenzene
12 71 Isopropylbenzene
13 379 T-Butylbenzene
14 884 M-DiisopropylBz
15 885 P-DiisopropylBz
16 382 1-Mth-4-iC3-Benz
17 8001 alkyl heavies
18 8002 transalky heavy

THERMODYNAMICS

K-value model : SRK

Water/Hydrocarbon immiscible
Enthalpy model : SRK
Liquid density : Library

SM-8-17
Exercise 8.6 – Cumene process with drag (purge) streams Page 9

Overall Mass Balance lbmol/h lb/h

Input Output Input Output
Water 0.180 0.180 3.243 3.243
Ethane 4.644 4.644 139.645 139.645
Propylene 1029.208 0.000 43310.103 0.000
Propane 465.613 465.613 20531.658 20531.658
1-Butene 0.030 0.009 1.683 0.498
I-Butane 0.313 0.313 18.222 18.222
MthCyclopentane 1.264 1.258 106.375 105.897
Benzene 1090.806 81.496 85207.182 6365.942
MthCyclohexane 0.222 0.221 21.775 21.679
Toluene 0.139 0.038 12.784 3.507
N-Propylbenzene 0.000 0.154 0.000 18.519
Isopropylbenzene 0.000 993.769 0.000 119445.018
T-Butylbenzene 0.000 0.022 0.000 2.934
M-DiisopropylBz 0.000 8.590 0.000 1393.873
P-DiisopropylBz 0.000 6.296 0.000 1021.602
1-Mth-4-iC3-Benz 0.000 0.084 0.000 11.281
alkyl heavies 0.000 0.677 0.000 139.753
transalky heavy 0.000 0.629 0.000 129.902

Total 2592.418 1563.992 149352.672 149353.188

EQUIPMENT SUMMARIES

Equilibrium Reactor Summary

Equip. No. 1 11 13 14
Name alkylator trans alkylr
Thermal mode 2 2 2 2
Temperature F 100.0000 100.0000 100.0000 100.0000
Heat duty MMBtu/h -47.5049 -6.3132 -3.6779 -0.0277
No of Reactions 2 2 4 1
Temp Units 2 0 0 0
No. of Iterations 50 50 0 0
Calc Ht of Rxn -39.5145 0.0922 -4.0859 -0.0302
(MMBtu/h)
Edit Reaction No. 7 3 0 0

SM-8-18
Exercise 8.6 – Cumene process with drag (purge) streams Page 10
Reaction Stoichiometrics and Parameters for unit no. 1
Reaction no. 1 2
Base component 3 3
Frac.conversion 0.9057 0.0001
3 3
-1.0000 -1.0000
8 8
-1.0000 -1.0000
12 11
1.0000 1.0000

Reaction Stoichiometrics and Parameters for unit no. 11

Reaction no. 1 2
Base component 14 15
Frac.conversion 0.5000 0.5000
14 15
-1.0000 -1.0000
8 8
-1.0000 -1.0000
12 12
2.0000 2.0000

Reaction Stoichiometrics and Parameters for unit no. 13

Reaction no. 1 2 3 4
Base component 12 12 5 5
Frac.conversion 0.0582 0.0423 0.2074 0.7926
3 3 5 5
-1.0000 -1.0000 -1.0000 -1.0000
12 12 8 8
-1.0000 -1.0000 -1.0000 -1.0000

EQUIPMENT SUMMARIES

14 15 13 16
1.0000 1.0000 1.0000 1.0000

Reaction Stoichiometrics and Parameters for unit no. 14

Reaction no. 1
Base component 3
Frac.conversion 0.0337
3
-4.8211
8
-0.0138
10
-0.1485
5
0.1395
17
1.0000

SM-8-19
Exercise 8.6 – Cumene process with drag (purge) streams Page 11
Equip. No. 15
Name
Thermal mode 2
Temperature F 100.0000
Heat duty MMBtu/h 0.0607
No of Reactions 1
Calc Ht of Rxn 0.0628
(MMBtu/h)

Reaction Stoichiometrics and Parameters for unit no. 15

Reaction no. 1
Base component 12
Frac.conversion 0.0131
12
-2.4270
13
-0.0023
16
-0.0081
8
1.9873
11
0.0314
18
0.6701

EQUIPMENT SUMMARIES

Mixer Summary

Equip. No. 2 4 9 10
Name feed mixer mixer mixer
Output Pressure psia 500.0000 500.0000 500.0000
Optional output phase: 1 0 0 0

SM-8-20
Exercise 8.6 – Cumene process with drag (purge) streams Page 12
Shortcut Distillaton Summary

Equip. No. 3 5 6 7
Name depropanizer benzene col cumene col dipb col
Mode 3 3 3 3
Light key component 4.0000 8.0000 12.0000 15.0000
Light key split 0.9999 1.0000 0.9999 0.9990
Heavy key component 8.0000 12.0000 16.0000 18.0000
Heavy key split 1.0000e-005 0.0850 0.0135 1.0000e-004
Condenser type 1 0 0 0
R/Rmin 1.5000 1.5000 1.2000 1.5000
Number of stages 17.3950 20.3184 58.7739 34.1532
Min. No. of stages 10.4976 8.5134 26.5043 16.7058
Feed stage 12.7369 1.4569 17.4005 24.7950
Condenser duty -31.4122 -67.5317 -42.0459 -4.8649
(MMBtu/h)
Reboiler duty MMBtu/h 100.1789 30.1841 42.9015 4.8746
Colm pressure psia 250.0000 20.0000 20.0000 20.0000
Reflux ratio, minimum 8.1407 0.1899 1.4036 0.5061
Calc. Reflux ratio 12.2110 0.2848 1.6843 0.7591
Colm pressure drop 10.0000 5.0000
(psi)

Divider Summary

Equip. No. 8 12 16
Name benz split
Split based on 1 1 1
Output stream #1 700.0000 3153.1404
Output stream #2 15.0000

Controller Summary

Equip. No. 17 18 19
Name
Mode 2 0 0
Equip. no. adjusted 16 8 0
Stream no. adjusted 0 0 2
Variable No. 3 3 5
Minimum Value 3000.0000 600.0000 1000.0000
Maximum Value 3500.0000 1200.0000 1200.0000

Unit of Min/Max values 1 1 0

Sign Flag 0 0 0

Measured variables:
Number 3 27 10
Variable -8 -8 5
Operator 4 4 0
Number 3 27 0
Variable -3 -14 0
Constant 4.0000 6.8658 20.0000

SM-8-21
Exercise 8.6 – Cumene process with drag (purge) streams Page 13
FLOW SUMMARIES

Stream No. 1 2 3 4
Stream Name Propylene fe Benzene feed
Temp F 100.0000 100.0000 157.4765 100.0000
Pres psia 500.0000 500.0000 500.0000 500.0000
Enth MMBtu/h -21.678 23.968 74.159 26.654
Vapor mole fraction 0.00000 0.00000 0.00000 0.00000
Total lbmol/h 1499.9882 1092.4301 5745.5576 4813.2964
Flowrates in lbmol/h
Water 0.1800 0.0000 0.1800 0.1800
Ethane 4.6440 0.0000 4.6440 4.6440
Propylene 1029.2080 0.0000 1029.2080 96.9467
Propane 465.6127 0.0000 465.6581 465.6581
1-Butene 0.0300 0.0000 0.0303 0.0303
I-Butane 0.3135 0.0000 0.3179 0.3179
MthCyclopentane 0.0000 1.2639 47.9511 47.9464
Benzene 0.0000 1090.8055 4114.1724 3181.9165
MthCyclohexane 0.0000 0.2218 8.2394 8.2386
Toluene 0.0000 0.1387 1.3776 1.3775
N-Propylbenzene 0.0000 0.0000 0.0026 0.1272
Isopropylbenzene 0.0000 0.0000 73.7759 1005.9126
T-Butylbenzene 0.0000 0.0000 0.0002 0.0002
M-DiisopropylBz 0.0000 0.0000 0.0004 0.0004
P-DiisopropylBz 0.0000 0.0000 0.0000 0.0000
1-Mth-4-iC3-Benz 0.0000 0.0000 0.0004 0.0004
alkyl heavies 0.0000 0.0000 0.0000 0.0000
transalky heavy 0.0000 0.0000 0.0000 0.0000

Stream No. 5 6 7 8
Stream Name C3 Product
Temp F 120.7389 446.4118 396.7632 196.0731
Pres psia 250.0000 260.0000 260.0000 20.0000
Enth MMBtu/h -21.219 112.93 118.32 71.869
Vapor mole fraction 1.0000 0.00000 0.00000 0.00000
Total lbmol/h 470.7903 4246.1064 5104.8213 3153.1401
Flowrates in lbmol/h
Water 0.1800 0.0000 0.0000 0.0000
Ethane 4.6440 0.0000 0.0000 0.0000
Propylene 0.0000 0.0000 0.0000 0.0000
Propane 465.6115 0.0466 0.0566 0.0453
1-Butene 0.0089 0.0003 0.0004 0.0003
I-Butane 0.3134 0.0045 0.0055 0.0044
MthCyclopentane 0.0007 47.9457 58.3092 46.6871
Benzene 0.0318 3181.7598 3776.0210 3023.3669
MthCyclohexane 0.0000 8.2386 10.0184 8.0176
Toluene 0.0000 1.2769 1.5519 1.2388
N-Propylbenzene 0.0000 0.1272 0.1577 0.0026
Isopropylbenzene 0.0000 912.2303 1084.0134 73.7759
T-Butylbenzene 0.0000 0.0242 0.0445 0.0002
M-DiisopropylBz 0.0000 54.2480 99.9057 0.0004
P-DiisopropylBz 0.0000 39.4348 72.5738 0.0000
1-Mth-4-iC3-Benz 0.0000 0.0921 0.8565 0.0004
alkyl heavies 0.0000 0.6771 0.6771 0.0000
transalky heavy 0.0000 0.0000 0.6294 0.0000

SM-8-22
Exercise 8.6 – Cumene process with drag (purge) streams Page 14
FLOW SUMMARIES

Stream No. 9 10 11 12
Stream Name Drag 1 Cumene prod.
Temp F 337.6488 196.0731 196.0731 328.6620
Pres psia 20.0000 20.0000 20.0000 20.0000
Enth MMBtu/h -8.7838 1.9356 89.759 -3.2179
Vapor mole fraction 0.00000 0.00000 0.00000 0.00000
Total lbmol/h 1166.7605 84.9210 3938.0608 992.0059
Flowrates in lbmol/h
Water 0.0000 0.0000 0.0000 0.0000
Ethane 0.0000 0.0000 0.0000 0.0000
Propylene 0.0000 0.0000 0.0000 0.0000
Propane 0.0000 0.0012 0.0566 0.0000
1-Butene 0.0000 0.0000 0.0004 0.0000
I-Butane 0.0000 0.0001 0.0055 0.0000
MthCyclopentane 0.0001 1.2574 58.3091 0.0001
Benzene 0.0378 81.4259 3775.9832 0.0378
MthCyclohexane 0.0049 0.2159 10.0135 0.0049
Toluene 0.0047 0.0334 1.5472 0.0047
N-Propylbenzene 0.1545 0.0001 0.0032 0.1540
Isopropylbenzene 991.8723 1.9869 92.1411 991.7731
T-Butylbenzene 0.0443 0.0000 0.0003 0.0197
M-DiisopropylBz 99.9051 0.0000 0.0005 0.0000
P-DiisopropylBz 72.5738 0.0000 0.0001 0.0000
1-Mth-4-iC3-Benz 0.8560 0.0000 0.0005 0.0116
alkyl heavies 0.6771 0.0000 0.0000 0.0000
transalky heavy 0.6294 0.0000 0.0000 0.0000

Stream No. 13 14 15 16
Stream Name Heavies
Temp F 427.6098 427.1221 548.2646 273.2151
Pres psia 20.0000 20.0000 25.0000 500.0000
Enth MMBtu/h -4.7103 -4.3142 0.017809 11.641
Vapor mole fraction 0.00000 0.00000 0.00000 0.00000
Total lbmol/h 174.7546 158.4789 1.2752 858.4789
Flowrates in lbmol/h
Water 0.0000 0.0000 0.0000 0.0000
Ethane 0.0000 0.0000 0.0000 0.0000
Propylene 0.0000 0.0000 0.0000 0.0000
Propane 0.0000 0.0000 0.0000 0.0101
1-Butene 0.0000 0.0000 0.0000 0.0001
I-Butane 0.0000 0.0000 0.0000 0.0010
MthCyclopentane 0.0000 0.0000 0.0000 10.3646
Benzene 0.0000 0.0000 0.0000 671.1903
MthCyclohexane 0.0000 0.0000 0.0000 1.7799
Toluene 0.0000 0.0000 0.0000 0.2750
N-Propylbenzene 0.0005 0.0005 0.0000 0.0011
Isopropylbenzene 0.0992 0.0907 0.0000 16.4690
T-Butylbenzene 0.0245 0.0224 0.0000 0.0225
M-DiisopropylBz 99.9051 91.3153 0.0145 91.3154
P-DiisopropylBz 72.5738 66.2781 0.0663 66.2781
1-Mth-4-iC3-Benz 0.8444 0.7719 0.0000 0.7720
alkyl heavies 0.6771 0.0000 0.6190 0.0000
transalky heavy 0.6294 0.0001 0.5753 0.0001

SM-8-23
Exercise 8.6 – Cumene process with drag (purge) streams Page 15
FLOW SUMMARIES

Stream No. 17 18 19 20
Stream Name Drag 2
Temp F 100.0000 170.6529 427.6098 427.6098
Pres psia 500.0000 500.0000 20.0000 20.0000
Enth MMBtu/h 5.3883 50.191 -4.3060 -0.40431
Vapor mole fraction 0.00000 0.00000 0.00000 0.00000
Total lbmol/h 858.7151 4653.1279 159.7541 15.0000
Flowrates in lbmol/h
Water 0.0000 0.1800 0.0000 0.0000
Ethane 0.0000 4.6440 0.0000 0.0000
Propylene 0.0000 1029.2080 0.0000 0.0000
Propane 0.0101 465.6581 0.0000 0.0000
1-Butene 0.0001 0.0303 0.0000 0.0000
I-Butane 0.0010 0.3179 0.0000 0.0000
MthCyclopentane 10.3646 46.6871 0.0000 0.0000
Benzene 594.2599 3023.3669 0.0000 0.0000
MthCyclohexane 1.7799 8.0176 0.0000 0.0000
Toluene 0.2750 1.2388 0.0000 0.0000
N-Propylbenzene 0.0305 0.0026 0.0005 0.0000
Isopropylbenzene 171.7831 73.7759 0.0907 0.0085
T-Butylbenzene 0.0203 0.0002 0.0224 0.0021
M-DiisopropylBz 45.6577 0.0004 91.3298 8.5753
P-DiisopropylBz 33.1390 0.0000 66.3444 6.2293
1-Mth-4-iC3-Benz 0.7644 0.0004 0.7719 0.0725
alkyl heavies 0.0000 0.0000 0.6190 0.0581
transalky heavy 0.6294 0.0000 0.5754 0.0540

Stream No. 21 22 23 24
Stream Name Drag 1
Temp F 196.0731 100.0000 100.0000 196.0731
Pres psia 20.0000 500.0000 500.0000 20.0000
Enth MMBtu/h 73.804 26.626 22.948 15.955
Vapor mole fraction 0.00000 0.00000 0.00000 0.00000
Total lbmol/h 3238.0613 4810.6938 4716.8965 700.0001
Flowrates in lbmol/h
Water 0.0000 0.1800 0.1800 0.0000
Ethane 0.0000 4.6440 4.6440 0.0000
Propylene 0.0000 93.6823 0.0000 0.0000
Propane 0.0466 465.6581 465.6581 0.0101
1-Butene 0.0003 0.1248 0.0092 0.0001
I-Butane 0.0045 0.3179 0.3179 0.0010
MthCyclopentane 47.9445 47.9464 47.9464 10.3646
Benzene 3104.7927 3181.9072 3181.7915 671.1903
MthCyclohexane 8.2336 8.2386 8.2386 1.7799
Toluene 1.2722 1.2769 1.2769 0.2750
N-Propylbenzene 0.0027 0.1272 0.1272 0.0006
Isopropylbenzene 75.7628 1005.9126 912.2303 16.3783
T-Butylbenzene 0.0002 0.0002 0.0242 0.0000
M-DiisopropylBz 0.0004 0.0004 54.2480 0.0001
P-DiisopropylBz 0.0000 0.0000 39.4348 0.0000
1-Mth-4-iC3-Benz 0.0005 0.0004 0.0921 0.0001
alkyl heavies 0.0000 0.6771 0.6771 0.0000
transalky heavy 0.0000 0.0000 0.0000 0.0000

SM-8-24
Exercise 8.6 – Cumene process with drag (purge) streams Page 16
FLOW SUMMARIES

Stream No. 25 26 27 28
Stream Name
Temp F 100.0000 157.4765 273.2151 196.0731
Pres psia 500.0000 500.0000 500.0000 20.0000
Enth MMBtu/h 5.3276 74.159 11.641 1.9356
Vapor mole fraction 0.00000 0.00000 0.00000 0.00000
Total lbmol/h 858.4789 5745.5576 858.4789 84.9210
Flowrates in lbmol/h
Water 0.0000 0.1800 0.0000 0.0000
Ethane 0.0000 4.6440 0.0000 0.0000
Propylene 0.0000 1029.2080 0.0000 0.0000
Propane 0.0101 465.6581 0.0101 0.0012
1-Butene 0.0001 0.0303 0.0001 0.0000
I-Butane 0.0010 0.3179 0.0010 0.0001
MthCyclopentane 10.3646 47.9511 10.3646 1.2574
Benzene 592.3936 4114.1724 671.1903 81.4259
MthCyclohexane 1.7799 8.2394 1.7799 0.2159
Toluene 0.2750 1.3776 0.2750 0.0334
N-Propylbenzene 0.0011 0.0026 0.0011 0.0001
Isopropylbenzene 174.0625 73.7759 16.4690 1.9869
T-Butylbenzene 0.0225 0.0002 0.0225 0.0000
M-DiisopropylBz 45.6577 0.0004 91.3154 0.0000
P-DiisopropylBz 33.1390 0.0000 66.2781 0.0000
1-Mth-4-iC3-Benz 0.7720 0.0004 0.7720 0.0000
alkyl heavies 0.0000 0.0000 0.0000 0.0000
transalky heavy 0.0001 0.0000 0.0001 0.0000

SM-8-25
Exercise 8.7 – Pentane Isomerization Page 1

Two flowsheets are calculated in one run. In the first, the distillation column
precedes the reactor and the reactor effluent is recycled to mix with the fresh
feed. In the other, the column is located after the reactor, with the column
bottoms recycled to mix with the fresh feed.
In both cases, the isopentane product is the distillate from the column.
Pressures in both columns are taken as 120 kPa at the top and 170 kPa at the
bottom. Feeds to both columns are subcooled liquid at 170 kPa and 25oC.
The FUG shortcut module, SHOR, is used for both columns, with, in each flowsheet,
the isopentane recovery set at 98%, with a feedback controller on the distillate
used to adjust the guessed n-pentane split to give a 98 mol% (same as 98 wt%) pure
isopentane product.
The reactors are modeled with REAC stoichiometric modules, with the given
6.5-to-1 ratio of isopentane to n-pentane in both reactor effluents obtained by
using feedback controllers to adjust the guessed fractional conversion.

CHEMCAD 5.2.3

FLOWSHEET SUMMARY

Equipment Label Stream Numbers

1 SHOR 2 -4 -3
2 REAC 3 -5
3 MIXE 11 1 -2
4 SHOR 14 -9 -8
5 REAC 7 -10
6 MIXE 8 6 -7
7 CONT 5 -11
8 CONT 4 -12
9 CONT 9 -13
10 CONT 10 -14

STREAM CONNECTIONS

Stream Equipment Stream Equipment Stream Equipment

From To From To From To
1 3 6 6 11 7 3
2 3 1 7 6 5 12 8
3 1 2 8 4 6 13 9
4 1 8 9 4 9 14 10 4
5 2 7 10 5 10

Calculation mode : Sequential

Flash algorithm : Normal

Equipment Calculation Sequence

4 6 5 10 9 1 2 7 3 8

Equipment Recycle Sequence

4 6 5 10 -1 2 7 3

Recycle Cut Streams

14 2

SM-8-26
Exercise 8.7 – Pentane Isomerization Page 2

Recycle Convergence Method: Direct Substitution

Max. loop iterations 100

Recycle Convergence Tolerance

Flow rate 1.000E-005

Temperature 1.000E-003
Pressure 1.000E-003
Enthalpy 1.000E-003
Vapor frac. 1.000E-003

Recycle calculation has converged.

COMPONENTS
ID # Name
1 7 I-Pentane
2 8 N-Pentane

THERMODYNAMICS

K-value model : Ideal Vapor Pressure

Enthalpy model : Latent Heat
Liquid density : Library

Overall Mass Balance kmol/h kg/h

Input Output Input Output
I-Pentane 600.000 1862.018 43290.000 134344.581
N-Pentane 1300.000 37.982 93795.006 2740.425

Total 1900.000 1900.000 137085.012 137085.000

EQUIPMENT SUMMARIES
Shortcut Distillaton Summary

Equip. No. 1 4
Name
Mode 3 3
Light key component 1.0000 1.0000
Light key split 0.9800 0.9800
Heavy key component 2.0000 2.0000
Heavy key split 0.0253 0.1299
R/Rmin 1.1000 1.1000
Number of stages 70.5987 55.7640
Min. No. of stages 29.9099 23.1485
Feed stage 34.1064 18.3222
Condenser duty MJ/h -166877.7500 -102832.1016
Reboiler duty MJ/h 171599.6250 104747.4141
Colm pressure kPa 120.0000 120.0000
Reflux ratio, minimum 5.6052 3.1051
Calc. Reflux ratio 6.1657 3.4156
Colm pressure drop 50.0000 50.0000
(kPa)

SM-8-27
Exercise 8.7 – Pentane Isomerization Page 3

Reactor Summary

Equip. No. 2 5
Name
Thermal mode 2 2
Temperature C 25.0000 25.0000
Heat duty MJ/h -6316.3403 -3509.8694
Key Component 2 2
Frac. Conversion 0.8632 0.8119
Reactor Pressure kPa 170.0000 170.0000
Calc H of Reac. -6.2600e+006 -6.2600e+006
(J/kmol)

Stoichiometrics:
I-Pentane 1.000 1.000
N-Pentane -1.000 -1.000

Mixer Summary

Equip. No. 3 6
Name
Output Pressure kPa 170.0000 170.0000

EQUIPMENT SUMMARIES

Controller Summary

Equip. No. 7 8 9 10
Name
Mode 2 2 2 2
Equip. no. adjusted 2 1 4 5
Variable No. 6 6 6 6
Minimum Value 0.5000 0.0050 0.0050 0.5000
Maximum Value 1.0000 0.0500 0.2000 1.0000
Sign Flag 0 0 0 0
Tolerance 1.0000e-004 1.0000e-004 1.0000e-004 1.0000e-004
Iterations 0 100 100 0

Measured variables:
Number 5 4 9 10
Variable -1 -601 -601 -1
Operator 4 0 0 4
Number 5 0 0 10
Variable -2 0 0 -2
Constant 6.5000 0.9800 0.9800 6.5000

SM-8-28
Exercise 8.7 – Pentane Isomerization Page 4

FLOW SUMMARIES

Stream No. 1 2 3 4
Stream Name F 1 CF 1 B 1 D 1
Temp C 25.0000 25.0001 51.6766 32.9642
Pres kPa 170.0000 170.0000 170.0000 120.0000
Enth MJ/h -1.6609E+005 -2.9909E+005 -1.2668E+005 -1.6769E+005
Vapor mole fraction 0.00000 0.00000 0.00000 0.00000
Total kmol/h 950.0001 1699.9929 749.9928 950.0001
Flowrates in kmol/h
I-Pentane 300.0000 950.0010 19.0000 931.0010
N-Pentane 650.0000 749.9918 730.9927 18.9991

Stream No. 5 6 7 8
Stream Name R 1 F 2 CF 2 R 2
Temp C 25.0000 25.0000 28.5277 50.7428
Pres kPa 170.0000 170.0000 170.0000 170.0000
Enth MJ/h -1.3300E+005 -1.6609E+005 -1.9088E+005 -24784.
Vapor mole fraction 0.00000 0.00000 0.00000 0.00000
Total kmol/h 749.9928 950.0001 1096.1704 146.1704
Flowrates in kmol/h
I-Pentane 650.0010 300.0000 319.0003 19.0003
N-Pentane 99.9918 650.0000 777.1702 127.1701

Stream No. 9 10 11 12
Stream Name D 2 RE 2 R 1 C D 1 C
Temp C 32.9640 25.0000 25.0000 32.9642
Pres kPa 120.0000 170.0000 170.0000 120.0000
Enth MJ/h -1.6769E+005 -1.9439E+005 -1.3300E+005 -1.6769E+005
Vapor mole fraction 0.00000 0.00000 0.00000 0.00000
Total kmol/h 950.0001 1096.1704 749.9928 950.0001
Flowrates in kmol/h
I-Pentane 931.0167 950.0170 650.0010 931.0010
N-Pentane 18.9833 146.1534 99.9918 18.9991

Stream No. 13 14
Stream Name D 2 C RE 2 C
Temp C 32.9640 25.0000
Pres kPa 120.0000 170.0000
Enth MJ/h -1.6769E+005 -1.9439E+005
Vapor mole fraction 0.00000 0.00000
Total kmol/h 950.0001 1096.1704
Flowrates in kmol/h
I-Pentane 931.0167 950.0170
N-Pentane 18.9833 146.1534
COMPARISON:
The two flowsheets can be compared on the basis of reactor feed rate, column
stages, column reboiler duty, and column overhead vapor flow rate:
Case 1 – Pre-distillati Case 2 – Post-distillati
Reactor feed, kmol/hr 750 1,096
No. of stages 71 56
Reboiler duty, GJ/hr 172 105
Overhead rate, kmol/hr 6,807 4,195
From these results, no conclusion is possible without costing each case.

SM-8-29