ASSIGNMENT 3

TEKNIK REAKSI KIMIA

REAKTOR NON-ISOTERMAL

DISUSUN OLEH
Achmad Rayhan (1706985640)
Aditya Haryanto (1506673492)
Mohammad Bilal Nuraziz (1706038185)
Zio Kandaka Kaelani (1706038222)

PROGRAM STUDI TEKNIK KIMIA

FAKULTAS TEKNIK
UNIVERSITAS INDONESIA
DEPOK 2020
 TABLE OF CONTENTS

TABLE OF CONTENTS..............................................................................................................II
P8-15C.............................................................................................................................................1
P8-2 (g)............................................................................................................................................5
P8-2 (h)............................................................................................................................................9
P8-2 (i)...........................................................................................................................................12
P8-2 (j)...........................................................................................................................................14
P8-2 (g) Foggler 3rd edition..........................................................................................................22
P8-8A.............................................................................................................................................25
P8-25C...........................................................................................................................................38
S 15.3.............................................................................................................................................42
REFERENCES............................................................................................................................50

II
P8-15C

The biomass reaction

is carried out in a 6 dm3 chemo stat with a heat exchanger.

The volumetric flow rate is 1 dm3h, the entering substrate concentration and temperature are

100 g/dm3 and 280 K, respectively. The temperature dependence of the growth rate follows
that given by Aibe et al., Equation (7-63)

a) Plot G(T) and R(T) for both adiabatic and non-adiabatic operation assuming a very large

coolant rate (i.e., Q˙ = UA(Ta − T) with A = 1,1 m2 and Ta = 290 K).

b) What is the heat exchanger area that should be used to maximize the exiting cell
concentration for an entering temperature of 288 K? Cooling water is available at 290 K
and up to a maximum flow rate of 1 kg/minute.
c) Identify any multiple steady states and discuss them in light of what you learned in this
chapter. Hint: Plot Ts vs T0 from Part (a).

d) Vary T0, N˙ c, and Ta and describe what you find.

Additional Information:

III
 YC/S = 0,8 g
cell/g substrate
KS = 5,0
g/dm3
μ1 max= 0,5ℎ –1 (note μ = μmax at 310 K)

CPC= Heat capacity of substrate solution including all

cells = 74 J/g/K ms = mass of substrate solution in

chemostat = 6,0 kg
∆HRX = -20.000 J/g cells

U = 50.000 J/h/Km2
CPC = Heat capacity of cooling water 74 J/g/K m c = coolant flow rate (up to 60.000

kg/h)
ρS = solution density = 1 kg/dm3

Penyelesaian

(a) Substrat  Sel + Produk

G(T) = X*∆HRX
Untuk menyelesaikan G(T), kita membutuhkan X sebagai fungsi suhu yang dapat kita
selesaikan dengan menggunakan persamaan neraca massa.

Kita mendapat persamaan

IV
Jika disederhanakan menjadi

Setelah menentukan X sebagai fungsi T, kita dapat plot G(T).

Untuk mendapatkan R(T), kita harus menghitung kalor yang dipindahkan berupa kalor yg
terabsorbsi oleh reaktan untuk mendapatkan suhu reaksi dan panas yang keluar dari heat
exchanger.

Kalor yang dihasilkan dari reaktan = CP0 (T-T0)

Kalor yang keluar dari heat exchanger = UA(T-Ta)/FS

Untuk kasus adiabatic, grafik yang dibentuk adalah sebagai berikut.

V
 Untuk kasus non-adiabatik, grafik yang dibentuk adalah sebagai berikut. (U ≠ 0, A = 1,1

m2)

(b) Untuk memaksimalkan konsentrasi sel yang keluar, kita harus memaksimalkan konversi
substrat. Jika kita melihat G(T) bagian A, terlihat bahwa G(T) maksimum saat suhu 310
K. Hal ini berhubungan dengan konversi tertinggi yang dapat dicapai. Dengan mengganti
nilai UA dan mc, kita dapat mengganti kemiringan R(T) untuk bersilangan dengan G(T))
pada 310 K.
Karena kita membatasi laju alir pendingin, kita akan menggunakan nilai Q yang berbeda.

Sekarang kita menentukan R(T) saat G(T) maksimum, yaitu sebesar 15600 J/h

Dengan asumsi laju alir maksimum pendingin akan mendapatkan luas daerah pertukaran
panas yang maksimum.

VI
 (c) Terdapat dua jenis steady state pada reaksi ini. Pada suhu 294,5 K, terjadi steady state tidak
stabil dan pada suhu 316 K terjadi steady state stabil.
(d) Peningkatan T0 yang cukup akan mengeleminasi titik steady state pada suhu yang lebih
rendah. Bukan hanya itu, peningkatan T0 akan menurunkan konsentrasi akhir sel.
Sedangkan, peningkatan T0 akan meningkatkan konsentrasi akhir sel. Peningkatan mc
akan meningkatkan kemiringan R(T) dan meningkatkan konsentrasi akhir sel. Peningkatan
Ta akan menurunkan konsentrasi akhir se

P8-2 (g)
For the elementary solid-catalyzed liquid-phase reaction

A↔B

make a plot of equilibrium conversion as a function of temperature. Determine the adiabatic

equilibrium temperature and conversion when pure A is fed to the reactor at a temperature of 300
K. What happens if the ∆ H Rx is three times it’s initial condition?

We already know the relevant equation for this particular problem, and to make things more
efficient, we would rewrite the equation below:

VII
Rate Law

CB
−r A =k (C A − )
Ke

Equilibrium,−r A =0 , therefore:

C Be
C Ae=
Ke

Stoichiometry, v=v 0 yields:

Ke ( T )
X e=
1+ Ke(T )

Equilibrium Constant

∆ H Rx 1 1
Ke ( T ) =Ke ( T 1 ) exp
( (
R
−
T1 T ))
Energy Balance

50 ( T −300 )
X EB=
∆ H Rx

Now, using thus initial condition and available data, we use Microsoft Excel to make a T vs X
graph

VIII
,

Resulting in:

Profil T vs X
1.2

0.8

Xe
0.6
X

XEB

0.4

0.2

0
300 350 400 450 500

IX
Now, there is a slight change in the example. What if the ∆ H Rx is three times its initial
condition?

The equation slightly changes too, thus:

Equilibrium Constant

3 ∆ H Rx 1 1
Ke ( T ) =Ke ( T 1 ) exp
( R
1
−
T1 T( ))
Energy Balance

50 ( T −300 )
X EB=
3 ∆ H Rx1

With the modification being done, the resulting graph would be,

Final Condition:

Profil T vs X
1.2

0.8

Xe
0.6
X

XEB

0.4

0.2

0
300 350 400 450 500

X
Notice that there are the differences in X e∧ X EB . Of course, it is happening as the equation
dictates, the value of X e∧ X EB are both influenced by ∆ H Rx. A three times change in those
value would result in a third value of X e∧ X EB .

P8-2 (h)
Propylene glycol is produced by the hydrolysis of propylene oxide:

A+ B →C

Whereas A = propylene oxide, B = water, and C = propylene glycol. What will be the
conversion of oxide to glycol? AND what would happen if we change the molar flow of
methanol is increased by a factor of 4?

Again, for the sake of the discussion, we should only rewrite the relevant equation, thus:

Mole Balance and Design Equation

F A0 X
V=
−r A

Rate Law

−r A =k C A

Stoichiometry

C A=C A 0 (1−X )

Combining yields

v0 X
V=
k (1−X )

V
Solving for X as a function of T and recalling that ¿ ,
v0

−E
RT
τk τA e
X MB= =
1+τk −E
1+τA e RT

Energy Balance

XI
X EB=
∑ mi C pi (T −T i 0)
−[ ∆ H Rx ( T R ) +∆ C p ( T −T R ) ]

Now, for the initial condition, we also use Microsoft Excel to obtain the graph,

Initial Condition:

Profil T vs X
1.2

0.8

XMB
0.6
X

XEB
0.4

0.2

0
530 540 550 560 570 580 590 600 610 620 630

XII
Now, there are slight change in the molar flow of methanol by the factor of 4, the equation
slightly changes too, thus:

τ =V /v 0

Due to changes in v 0methanol , it would affect the Damkohler’s constant. The initial value of τ
would decrease to value of:

V 40.1
τ initial = = =0.123 h
v 0 46.62+46.62+233.1

V 40.1
τ final= = =0.086 h
v 0 46.62+4 ( 46.62 ) +233.1

The changes inτ , it would also result in changes to X MB,

−E
τk τA e RT
X MB= =
1+τk −E
1+τA e RT

The value of X MB and X EBwould also decreases, as shown in the graph below:

Final
Profil T vs X
0.7

0.6

0.5

0.4
XMB
X

0.3 XEB

0.2

0.1

0
530 540 550 560 570 580 590 600 610 620 630

Condition:

XIII
We can conclude that with the multiplying of methanol molar flow would result in the slope of
the energy balance (much greater). And, if we take more closer look, the conversion, , would
also reduce as a result of the greater slope differences between X MB and X EB.

P8-2 (i)
A cooling coil has been located in equipment storage for use in the hydration of propylene oxide
discussed in Example 8-4. The cooling coil has 40 ft2 of cooling surface and the cooling water
flow rate inside the coil is sufficiently large that a constant coolant temperature of 85°F can be
maintained. A typical overall heat-transfer coefficient for such a coil is 100 Btu/h-ft2."Will the
reactor satisfy the previous constraint of 125°F maximum temperature if the cooling coil is used?

Again, for the sake of the discussion, we should only rewrite the relevant equation:

Combining the mole balance, stoichiometry, and rate law, we have from Example 8-8.

( 2.084 ×1012 ) exp ⁡( −16.306 )

τk T
X MB= = , T is∈° R
1+τk 12 −16.306
1+ ( 2.084 ×10 ) exp ⁡( )
T

Energy Balance

92.9 ( T −545 )
X EB=403.3 ( T−535 )+
36400+7 (T −528)

Those two equations were solved simultaneously with POLYMATH program, resulting in:

XIV
Now, time for the slight change. In this case, there are different values of ∆ H Rx =−58700 and
C p A =29. All the units are the same.

Again, the first thing that we should do is trace back the equations:

The changes in∆ H Rx result in different value of X EB , because it contains those two variables.
The new values, after calculation has been done, is

XV
 92.9 ( T −545 )
X EB=397.3 ( T −535 ) +
38700+7(T −528)

And after running POLYMATH once again, the result is

XVI
Notice the differences in both the conversion, X , and the reactor temperature, T reactor. Both
increases significantly as the values of ∆ H Rx ∧C p A increases. It certainly follows the equations
that we already discussed in P8-2 (g) section.

P8-2 (j)
Parallel Reactions in PFR with Heat Effects

The POLYMATH program is readily prosecuted, resulting in:

XVII
XVIII
With the addition of pressure drop, we introduce an additional differential equations that fits the
variable into calculation process,

dy −α FT
= ( )
dV 2 y FT 0
, with α =0.08 d m
−3

Run the POLYMATH once again to obtain,

XIX
XX
XXI
Therefore, we can concluded that with a pressure drop term added, the resulting product would
still be exactly the same. Except there are now the differences in outlet pressure between the two.
With the pressure drop, it is much smaller pressure available.

Now, with the reaction (1) being reversible, there is a slight result in POLYMATH program,

XXII
XXIII
The difference lies in the selectivity. With reversible reaction, the resulting product of A is now
reducing significantly. In the other hand, the product B is now significantly increases. It is, of
course, to be expected. Now, the Product A becomes unstable and revert back to reactant
A, which, on the other hand, continously react to produce B, which is irreversible reactions.

Now, we also experiment with a changes of Ua. The initial values of Ua is 4000 J /m 3 s ℃ . We
experiment with two different values of Ua, that is Ua=3000 J /m3 s ℃ . and Ua=5000 J /m3 s ℃ .

With Ua=3000 J /m 3 s ℃ , the resulting POLYMATH is,

With Ua=5000 J /m3 s ℃ , the resulting POLYMATH is,

XXIV
Of course, the major differences lies in the final temperature of the reactor. With
Ua=5000 J /m 3 s ℃ , the resulting temperature is 826.78 K . With Ua=4000 J /m3 s ℃ , the
resulting temperature is 873.56 K. With Ua=3000 J /m3 s ℃ , the resulting temperature is
924.5 K. The higher the Ua, the lower the reactor temperature.

In addition, with the increases of Ua, the selectivity also affected. It is concluded that with the
increases of Ua, the product B is much more produced than product A.

XXV
P8-2 (g) Foggler 3rd edition
Example 8-7 Production of Acetic Anhydride
Jeffreys, in a treatment of the design of an acetic anhydride manufacturing facility, states that
one of the key steps is the vapor-phase cracking of acetone to ketene and methane:
CH3COCH3  CH2CO + CH4
He states further that this reaction is first order with respect to acetone and that the specific
reaction rate can be expressed by
34.222
ln k =34,34−
T
where k is in reciprocal seconds and T is in kelvin. In this design it is desired to feed 8000 kg of
acetone per hour to a tubular reactor. The reactor consists of a bank of 1000 1-inch schedule 40
tubes.

Jawaban
1. Menyusun neraca mol:
dX −r a
=
dV F A 0
2 dX −r a
=
πD dD F A 0

2. Menyusun laju reaksi:

−r A =k C A
3. Membuat persamaan stoikiometri:
C A 0 (1− X)T 0
C A=
( 1+εX ) T
ε = y A0 δ
4. Ketiga persamaan di atas digabung sehingga menjadi:
kC A 0 (1− X) T 0
−r A =
1+ X T
dX −r A k 1−X T 0
= = [ ]
dV F A 0 v 0 1+ X T
5. Menyusun neraca energi untuk sistem non-adiabatik:

XXVI
 dT Ua ( T a−T ) + (−r a ) [−∆ H Rx (T ) ]
=
dV F A0 ¿ ¿
Untuk sistem reaksi aseton pada soal:
dT U A ( T a−T ) + (−r a ) [−∆ H Rx ( T ) ]
=
dV F A 0 (C P + X ∆ C p ) A

Langkah selanjutnya adalah untuk mengevaluasi parameter yang ada. Evaluasi parameter yang
digunakan adalah sebagai berikut:
 Konsentrasi aseton adalah 18,8 mol/m3 sehingga laju alir molar yang masuk ke dalam
reaksi adalah:
C A 0 πL D 2
F A 0 ( D)=
4
 Nilai k pada 1035 K adalah 3,58 s-1, maka nilai-nilai dimasukkan:
1 1
k ( T )=3,58 exp 34.222
[ ( 1035 T ]
− )

 Untuk neraca energi,

4
a ( D )=
D
Dengan U = 110 J/m2.s.K
Maka, untuk sistem reaksi aseton pada soal akan menjadi

2 F A 0 dT
=
U ( D4 ) (T −T )+(−r ) [−∆ H
a a Rx (T )]

πD dD (C P + X ∆C p )
A

2C A 0 π LD dT 2
=
U ( D4 ) (T −T )+ (−r ) [−∆ H
a a Rx (T )]

4 πD dD (C P + X ∆C p )
A

C A 0 LD dT
=
U ( D4 ) (T −T )+ (−r ) [−∆ H
a a Rx (T )]

2 dD (C P + X ∆C p )
A

dT
=
(U ( D8 ) (T −T )+2 (−r ) [−∆ H
a a Rx ( T ) ])

dD C A 0 LD(C P + X ∆C p ) A

Dengan neraca molnya menjadi

XXVII
 2 dX −r a
=
πD dD C A 0 π LD 2
4
dX −2r a
=
dD C A 0 πLD
Karena pada soal variasinya adalah terhadap diameter (D), maka persamaan yang mengandung D
diubah agar persamaannya dapat diselesaikan. Kedua persamaan diferensial di atas akan
diselesaikan dengan Polymath.

Hasil yang didapat dari Polymath dimasukkan ke dalam excel menghasilkan grafik:

XXVIII
 Profil Konversi dan Suhu
1 1100
0.9 1080
0.8
1060
0.7
0.6 1040
Konversi

Suhu (K)
0.5 1020
0.4 1000
0.3
980
0.2
0.1 960
0 940
0 0.2 0.4 0.6 0.8 1 1.2
Diameter (m)

Grafik di atas menunjukkan profil konversi dan suhu terhadap ukuran PFR. Untuk rentang
ukuran rekator yang kecil telah terjadi penurunan suhu yang cukup signifikan. Reaksi yang ada
di sini terjadi sangat cepat dan menarik banyak energi dari panas sensibel yang dimiliki pemanas
sehingga suhu pemanas turun, dan alat pemanas tidak bisa memberi suplai energi yang sama atau
lebih besar dari yang diambil. Akan tetapi, konversi pada grafik di atas meningkat dengan laju
yang signifikan, dan kemudian melambat menuju konstan. Tidak ada tanda bahwa laju reaksi
menurun karena adanya penurunan suhu/kurangnya energi yang dimiliki oleh pemanas pada
sistem. Oleh karena itu, penggunaan kondisi non-adiabatis untuk diameter yang kecil tidak sesuai

P8-8A
An elementary, irreversible gas-phase reaction:

A → B+C

Is carried out adiabatically in a PFR packed with a catalyst (PBR). Pure A enters the
reactor with a volumetric flow rate of 20 dm3/s at a pressure of 10 atm and a temperature of 450
K.

(a) Plot the conversion & temperature down the PFR until an 80% conversion (if possible) is
reached. The maximum catalyst weight (W) is 50 kg, also assume that the pressure drop
is 0.
(b) What catalyst weight is necessary to achieve 80% conversion in a CSTR?
(c) Write a question that requires critical thinking and explain it.

XXIX
 (d) Now take pressure drop into account in the PFR

dP −α T P0
dW
=
2 T0 ( )( P
)
(1+ εX )
P0

The reactor can be packed with two particle sizes:

α =¿0.019 / kg.cat for particle diameter D1
α =¿0.0075/kg.cat for particle diameter D2
Additional information:
kJ kJ kJ
C p A =−40 ,C p A =−50 , C p A =−40
mol∗K mol∗K mol∗K

kJ kJ kJ
H oA =−70 , H oB =−50 , H oC =−40
mol mol mol

d m3
k =0.133 exp
[( E 1
( −
R 450 T
1
))] kgcat∗s
with E=31.4
kJ
mol

Plot the temperature, conversion, and pressure along the length of the reactor. Vary the
parameter α and P0 to learn the ranges of values in which they dramatically affect the
conversion.

Answer:

We begin by assuming the design equation of a PBR:

dX −r ' A
=
dW FA 0

The rate of reaction equation, with the reaction being elementary and irreversible is written as:

−r 'A =k∗C A

Since the concentration of A is a function of conversion, we need to define it as follows:

C A ( 1−X )
0
∗P
1+ εX C A ( 1− X )
∗T 0 0
∗T 0
P0 1+εX
C A= ∆ P=0 C A=
T → T

XXX
Thus we can combine all of the equation above to find the finished design equation:

k C A ( 1− X )
0
∗T
dX F A (1+ εX ) 0
0
=
dW T

For a PBR, the energy balance equation is already derived into the following relation between
temperature and catalyst weight:

UA
( T a−T ) + (−r 'A ) (−∆ H rx )
dT ρB
=
dW FA ( ∑ θi C p + X ∆ C p )
0

Based on the given information, we could further simplify the energy balance equation due to
these factors:

a) Since the process is carried out adiabatically, UA = 0, which means the first term in the
denominator can be crossed out;

b) The only molecule that enters the reactor is pure A, which means that θi for other molecule is

equal to zero, meaning that ∑ θ i C p simply equals C p A;

c) The mean heat capacity difference (∆ C p) is equal to zero;

The simplified energy balance equation is written below:

'
dT (−r A ) (−∆ H rx )
=
dW FA CP 0 A

Both differential equations must be solved simultaneously, and this could be done easily by
plugging both equations within the ODE solver in the POLYMATH program. The following is
the program that we would like to solve.

# Differential Eq.
d(X) / d(W) = -rA/Fao
X(0) = 0
d(T) / d(W) = (-rA)*(-dHrx)/(Fao*Cpa)
T(0) = 450 #K

XXXI
# Explicit Eq.
rA = -k*Ca
Ca = (Cao*(1-X))/(1+eps*X)*(To/T)
Fao = Cao*Vao
Vao = 20 #dm3/s
Cpa = 40 #J/mol*k
dHrx = -20000 #J/mol
k = 0.133*exp (E/R*(1/To-1/T))
To = 450 #K
E = 31400 #J/mol
R = 8.314 #J/mol*K
R1 = 0.082 #L*atm/mol*K
eps = 1
Cao = Pao/(R1*To)
Pao = 10 #atm
# Initial & Final Conditions
W(0) = 0
W(f) = 43.2

a) After running the program, the PBR reaches 80% conversion with the catalyst weight being
around 43.2 kg with the final temperature of 850 K.

XXXII
The conversion & temperature data obtained from the POLYMATH program is tabulated in
EXCEL so we could plot the relation between both sets of data, and the result is shown in the
figure below:

Conversion & Temperature in PBR

900 0.9

800 0.8

700 0.7
Temperature (T [K])

600 0.6
Conversion (X)

500 0.5

400 0.4

300 0.3

200 0.2

100 0.1

0 0
0 5 10 15 20 25 30 35 40
W (kg)
W vs T W vs X

XXXIII
Figure X. The relation between conversion & temperature against catalyst weight across the
reactor.

b) To achieve the same conversion in a CSTR, we can calculate the necessary catalyst weight by
following this algorithm:

1. Calculate the outlet temperature of the reactor:

X [−∆ H ° R ( T R ) ] + ∑ θi~
C p T 0+ X ∆ ~
Cp T R
T=
∑ θ~ i C + X ∆~
p Cp

REACTION  
  A --> B + C  
Cp
0.04   0.025   0.015  
(kJ/mol*K)
H°A (kJ/mol) -70   -50   -40  
FA0
5.42   0   0  
(mol/s)
θi 1   0   0 SUM
θi*Cp*T0 18   0   0 18
X*∆Cp*Tr 0   0   0 0
θi*Cp 0.04   0   0 0.04
X*∆Cp 0   0   0 0

X 0.8  
∆H°R -20 kJ/mol

To 450 K
J/mol*
∆Cp 0
K
Tr 273 K

With the following data, we can calculate the outlet temperature which yields:

T 850 K

XXXIV
2. Calculate k(T) [rate of reaction constant at the outlet temperature]:

E 1 1
k ( T )=k 0 exp
[ ( )] −
R T0 T

Known data:

k0 0.133
E 31.4 kJ/mol

R 0.008314 kJ/mol*K

T 850 K
To 450 K

With the following data, we can calculate the rate of reaction constant at the outlet temperature
which yields:

L/kg*cat*
k(T) 6.904
s

3. Calculate W (catalyst weight):

F A ∗X
W= 0

k∗C A ( 1− X )
0
∗T 0
( 1+ εX )
T

Known data:

FA0 5.42 mol/s

X 0.8
6.9043 L/kg*cat
k
32 *s

XXXV
 CA0 0.271 mol/L

ε 1
T 850 K
To 450 K

With the following data, we can calculate the necessary catalyst weight which yields:

W 39.396 kg

c) A critical question that we would like to explore is that “How long does it take for such
catalysts to deactivate?”. With the following results we have obtained, it seems that the high
pressure and high temperature of such reactions would certainly strain the catalyst pores quickly
and decrease its surface area due to sintering. Due to this, it is possible to assume that the process
isn’t really feasible if it is required that the catalyst be regenerated in small time intervals
because of the operating conditions.

d) By taking pressure drop into account, we could expect that the conversion will drop due to
smaller collision between particle. In certain cases, the pressure drop might be so high that the
maximum catalyst weight might drop from 50 kg. By plugging the pressure drop equation into
POLYMATH, we obtain the following program:

# Differential Eq.
d(X) / d(W) = -rA/Fao
X(0) = 0
d(T) / d(W) = (-rA)*(-dHrx)/(Fao*Cpa)
d(P) / d(W) = (-alfa/2)*(T/To)*(Pao/(P/Pao))*(1+eps*X)
P(0) = 10
T(0) = 450 #K
# Explicit Eq.
rA = -k*Ca
Ca = (Cao*(1-X))/(1+eps*X)*(To/T)*(P/Pao)
Fao = Cao*Vao
Vao = 20 #dm3/s

XXXVI
Cpa = 0.040 #kJ/mol*k
dHrx = -20 #kJ/mol
k = 0.133*exp (E/R*(1/To-1/T))
To = 450 #K
E = 31.4 #kJ/mol
R = 0.008314 #kJ/mol*K
R1 = 0.082 #L*atm/mol*K
eps = 1
Cao = Pao/(R1*To)
Pao = 10 #atm
alfa = 0.019 #alfa1 = 0.019/kgcat and alfa2 = 0.0075/kgcat
y = P/Pao
# Initial / Final Condition
W(0) = 0
W(f) = 39

There are two particle sizes that we could pick in this case:

1. If we decide to use the first particle diameter D1 with α =¿0.019 / kg.cat, the maximum
catalyst weight we can use is around 39 kg before the pressure drop becomes so high that the
outlet pressure becomes negative. Below is the result of running the program, and the plot of
temperature, conversion, and pressure along the length of the reactor.

XXXVII
The results show that the maximum conversion obtained is around 0.357, with the outlet
temperature only around 628.8 K. The outlet pressure is 0 atm, which in practical terms means
that such process isn’t feasible.

XXXVIII
Figure X. Conversion across the length of the reactor with pressure drop.

Figure X. Temperature across the length of the reactor with pressure drop.

Figure X. Pressure across the length of the reactor with pressure drop.

2. The second option is to use the second particle diameter D2 with α =¿0.0075 / kg.cat. By
using the maximum catalyst weight, we obtain the following results, and the plot of temperature,
conversion, and pressure along the length of the reactor.

XXXIX
 It is shown that with this particle size, the maximum conversion still does not reach the
required conversion of 0.8. The outlet temperature is 837.7 K, which is slightly less than the case
if the pressure drop is null (although the catalyst weight is different for both of this case). The
outlet pressure is around 5.36 atm, meaning that this process may still run smoothly.

XL
Figure X. Conversion across the length of the reactor with pressure drop.

Figure X. Temperature across the length of the reactor with pressure drop.

XLI
Figure X. Pressure across the length of the reactor with pressure drop.

XLII
XLIII
P8-25C
Xylene has three major isomers m-xylene, o-xylene, and p-xylene. When o-xylene is passed over
a crystal catalyst, the following elementary reactions are observed:

The feed to the reactor is equal molar on both m-xylene and o-xylene (species A and B). For a
total feed rate of 2 mol/min and the reaction condition below, plot the temperature and the molar
flow rates of each species as a function of catalyst weight up to a weight of 100 kg.
a) Find the lowest concentration of o-xylene achieved in the reactor.
b) Find the highest concentration of m-xylene achieved in the reactor.
c) Find the maximum concentration of o-xylene in the reactor.
d) Repeat parts (a) to (c) for pure feed of o-xylene.
e) Vary some of the system parameters and describe what you learn.
f) What do you believe to be the point of this problem?
Additional information:
All heat capacities are virtually the same at 100 J/mol.K
mol
C T 0=2
d m3
J
∆ H RX 10=−1800
mol o−xylene
J
∆ H RX 30=−1100
mol o−xylene
320 d m3
[(
k 1=0.5 exp 2 1−
T )] kg . cat .min

44
 k1
k 2=
KC

460 d m3
[ (
k 3=0.005 exp 4.6 1−
T )] kg .cat . min

430
K C =10 exp 4.8
[ ( T
−1.5 )]
T 0=330 K
T a=500 K
UA J
=16
ρb kg . cat . min .C o
W =100 kg
ANSWER
In this case, species A is m-xylene, B is o-xylene, and C is p-xylene. We can solve
question (a) to (c) using equation below.
Rate Laws:
dF A dF B dF C
=r A ; =r B ; =r C
dW dW dW
Stoichiometry:
r A =−r 2 B + r 1 A +r 3 A
r B=−r 1 A + r 2 B
r C =−r 3 A
−r 1 A =k 1 C A
−r 2 B =k 2 C B
−r 3 A =k 3 CC
Stoichiometry
FAT0 FAT0
C A=C T ; C A=C T
FT T FT T

Energy Balance:
dT UA ( T a −T ) + (−r 1 A ) ( ∆ H R 1 A ) + ( −r 2 B ) ( ∆ H R 1 A ) +(−r 3 A )(∆ H R 3 A )
=
dW F A C PA + F B C PB + F C C PC

45
 320 d m3
[(
k 1=0.5 exp 2 1−
T )] kg . cat .min
k1
k 2=
KC

460 d m3
[ (
k 3=0.005 exp 4.6 1−)] T kg .cat . min

[ 430T −1.5)]
K =10 exp 4.8 (
C

Using the polymath program, we can simultaneously solve all equation above to calculate the
maximum concentration of o-xylene and m-xylene and the minimum concentration of o-xylene

46
Therefore we can see that the (A) lowest concentration of o-xylene is Ca = 0,569 mol/dm 3. (B)
The maximum concentration of m-xylene is Cb = 1.252 mol/dm 3. And (C) the maximum
concentration of o-xylene is Ca = 1 mol/dm3.
(D) For a condition where the feed is pure of o-xylene, the initial concentration of species A is
now become 2 mol/ min and the initial concentration of species B is zero. Therefore, we can
calculate the minimal concentration of o-xylene and m-xylene and maximal concentration of o-
xylene using the same equation.

47
By using polymath program, we can see that the minimal value of o-xylene is Ca = 0.637
mol/dm3. The highest concentration of m-xylene is Cb = 1.09 mol/dm 3. And the maximum
concentration of o-xylene is Ca = 2 mol/dm3.
(E) The parameters we are going to vary are feed temperature and ambient temperature. We are
going to increase both of the temperature and compare the result. The feed temperature is
increased to be 350 K and the ambient temperature is increased to be 550 K.

The polymath program above show us the result when feed temperature is increased to be 330K.
We can see that the initial value of concentration species A and B has changed to be lower than

48
before (1 mol/L). This means that increasing the feed temperature will increase formation of
species C.

The polymath program above show us the result when ambient temperature is increased to be
550K. We can see that the final value of both species A and B have decreased. This means that
increasing the ambient temperature cause a lot of C to be formed.
(F) The problem shows us that a reaction is very dependent on heat or temperature. A slight
change of temperature will change the conversion of the reactants. In this case, one of the
reaction is reversible so a temperature change would change the equilibrium of the reaction.
Therefore, we need to determine the optimum temperature to get the desired conversion.

S 15.3
Reaksi reversibel elemeter, fasa cair, A ↔ Bdilangsungkan pada PFR secara adiabatic. Umpan A

murni dengan konsentrasi 2 M dan suhu 310 K dimasukkan ke dalam reactor dengan laju alir 10

o cal
L/s. Diketahui C P =C P =50 cal /(mol∗K )dan ∆ H rx =−10.000 A . Diketahui konstanta laju
A B
mol
reaksi (k) pada suhu 390 K dan 480 K masing-masing yaitu 2 dan 13.3 s -1, sedangkan konstanta
kesetimbangan (Ke) sebagai fungsi suhu (T dalam Kelvin) adalah ln Ke = 12.15 – (0.027)T.

(a) Jika digunakan 3 buah PFR seri yang diselingi interstage cooler (yang dapat
mendinginkan hingga 310 K), berapa suhu dan konversi yang dihasilkan pada setiap
reactor, dengan asumsi konversi di setiap PFR dapat mendekati konversi.
(b) Hitunglah volume PFR yang pertama.
(c) Berikan analisis (tidak harus dengan perhitungan), bagaimana besarnya volume PFR
kedua dan ketiga bila dibandingkan dengan volume PFR yang pertama, dan mengapa
demikian?

Answer:

49
Since we assume that the reaction’s conversion reaches closely to the equilibrium conversion
(XE), one approach is to plot the equilibrium conversion calculated by mole balance with the
equilibrium conversion calculated by energy balance. The intersection of both function is the
actual equilibrium conversion that happens in the reactor at a certain temperature.

We begin by following the algorithm of designing a PFR by writing down its design equation:

dX −r A
=
dV F A 0

Since the reaction is elementary, reversible, and is in a liquid phase, the rate of reaction equation
is written as:

CB
(
−r A =k C A −
Ke )
C A=C A ( 1− X )
0

C B=C A ( X )
0

Because the conversion we are looking for is obtained at equilibrium, the rate of reaction is equal
to zero. Thus, the following relation can be written:

CB Xe Ke
C A= → ( 1− X e ) = → X e =
Ke Ke 1+ K e

By plugging in the equilibrium constant equation, we obtain:

exp ( 12.15−0.027∗T )
X e=
1+exp ( 12.15−0.027∗T )

The next step is to obtain the equilibrium conversion based on the energy balance, which is
derived in the following manner:

n n
d^
E
Total energy balance:
i=1 i=1
( )
Q̇−W˙ S + ∑ F i 0 H i 0−¿ ∑ F i H i=
dt
¿

The reactor does not give/take work and is adiabatic, and that it is assumed to be running in
steady state, which simplifies the energy balance into:

50
 n T

∑ ∫ Θi C pi dT =−Δ H R ( T ) ∙ X
i=1 T io

T
o
with Δ H R ( T ) =Δ H R ( T R ) +∫ ( ∆ C p ) dT
TR

Integrating and rearranging the equation will yield us the equilibrium conversion calculated by
the energy balance:

X EB=
∑ Θi C p i ( T −T 0 )
−Δ H R ( T )

Since the inlet of the reactor only contains pure A, the final equilibrium conversion calculated by
the energy balance (and inserting the known constants) becomes:

C p A (T −T 0 )
X EB= → X EB=0.005(T −T 0 )
−Δ H R (T )

a) With both equations obtained, we can plot the following relation from both of the equation
against temperature. Below is the tabulation of data from each stage that we would like to
calculate its conversion and temperature (green colour indicates that it has reached equilibrium),
and a figure of the data plotting.

1st stage:

T (K) Ke Xe Xeb
43.8160 0.97768
310 4 7 0
14.8797 0.93702
350 3 7 0.2
0.83479
390 5.05309 5 0.4
1.58249 0.61277
433 1 7 0.615
0.44485
480 8 0.30789
0.15107 0.13124
520 2 4

51
 0.05130
560 3 0.0488
0.01742 0.01712
600 2 4
nd
2 stage:

T (K) Ke Xe Xeb
43.8160 0.97768
310 4 7 0.615
25.5337 0.96231
330 2 2 0.715
14.8797 0.93702
350 3 7 0.815
9.40272 0.90387
367 9 1 0.9

3rd stage:

T (K) Ke Xe Xeb
43.8160 0.97768
310 4 7 0.9
30.8457 0.96859
323 8 9 0.965
Plot of the data:

Equilibrium Conversion For Each Stage

1.2

1 Xe
1st
0.8 St
Conversion (X)

ag
e
0.6

0.4

0.2

0
300 350 400 450 500 550 600 650
Temperature (T) [K]

52
Figure X. Equilibrium Conversion Against Temperature Per Each Stage

Thus we can conclude that the conversion and temperature from each reactor are: 1 st reactor: X =
0.615 with T = 433 K. 2nd reactor: X = 0.9 with T = 367 K, and 3 rd reactor: X = 0.965 with T =
323 K.

b) Since we already know the conversion of the reaction and the design equation of the PFR and
the energy balance equation, we can calculate the volume of the PFR easily by plugging in both
differential equations into an ODE solver provided by POLYMATH.

The differential equation for the energy balance with the given case condition is written as:

dT r A ∆ H rx
=
dV F A C p A
0

Before we could find the volume, we need to first find the rate of reaction constants A and E A to
allow us to predict the rate of reaction constant at each temperature in the reactor. To simplify
the calculation, we used EXCEL’s SOLVER to recalculate the given rate of reaction constants (k
at 390 K and 480 K equals 2 and 13.3 s-1 respectively) and obtained each constants value:

A = 48911.63 s-1

EA = 32763.84 J/mol

With this, we write the following program for polymath below:

# Differetial Eq.
d(X) / d(V) =(-rA)/Fao
X(0) = 0
d(T) / d(V) = rA*dH/(Fao*Cpa)
T(0) = 310
# Explicit eq.
Ke = exp(12.15-0.027*T) #K
k = A*exp((-Ea)/(R*T))
rA = -k*(Ca-(Cb/Ke))
Ca = Cao*(1-X)
Cb = Cao*X

53
Fao = Cao*vo #mol/s
vo = 10 #L/s
Cao = 2 #mol/L
dH = -10000 #cal/mol A
Cpa = 50 #cal/mol*K
A = 48911.63 #s-1
Ea = 32763.84 #J/mol
R = 8.314 #J/mol*K
# Initial / Final Condition
V(0) = 0
V(f) = 14.5

The result we obtain is given below, with the figure of the conversion of the reactor reaching
equilibrium at the end of the reactors length.

54
Figure X. Conversion against volume of the 1st stage reactor.

The first reactor volume has to be at least 14.5 L in order to reach the equilibrium conversion.

c) The second and third PFR volume would simply be larger than the first reactor because of the
high conversion equilibrium under a lower temperature than the initial reactor. To reach
equilibrium, the rate of reaction must be equal to zero. Since the reaction is exothermic, a higher
temperature would allow it to reach equilibrium faster. To account for this situation, the
residence time inside the reactor must be higher to allow equilibrium to be reached under a lower
temperature. Thus, the volume of the reactor increases in series.

By calculation, the second reactor has to be at least 60 L in order to reach the equilibrium
conversion and the third reactor has to be at least 150 L in order to reach equilibrium.

2nd reactor calculation results:

55
3rd reactor calculation results:

56
57
 REFERENCES

Fogler, H. S., 2006, Elements of Chemical Reaction Engineering. 4th ed. New Jersey: Pearson
Education, Inc.

Rosen, A. 2014. Reactor Design. [ONLINE] Diambil dari

http://sites.tufts.edu/andrewrosen/files/2013/09/reactor_design_guide1.pdf [25 Maret 2020]

Purwanto, W. W., Abdillah, S. 2018. Teknik Reaksi Kimia Teori dan Soal Penyelesaian. Jakarta:
Penerbit Universitas Indonesia.

58