LAPORAN TUGAS MANDIRI

TEKNIK REAKSI KIMIA 2

Nama : Kirana Widiani L. Tanggal Kegiatan : 14 May 2019

NPM : 1606826880 Topik : Multiple Reaction
Prodi : Teknik Kimia Kelas : TRK-01

SOAL FOGLER
P8-23B The irreversible liquid-phase reactions:
𝑹𝒆𝒂𝒄𝒕𝒊𝒐𝒏 (𝟏) 𝑨 + 𝑩 → 𝟐𝑪 𝒓𝟏𝒄 = 𝒌𝟏𝒄 𝑪𝑨 𝑪𝑩
𝑹𝒆𝒂𝒄𝒕𝒊𝒐𝒏 (𝟐) 𝟐𝑩 + 𝑪 → 𝑫 𝒓𝟐𝑫 = 𝒌𝟐𝑫 𝑪𝑩 𝑪𝑪
are carried out in a PFR with heat exchanger. The following temperature
profile was obtained for the reaction and the coolant stream.

The concentration of A, B, C, and D were measured at the point down the

reactor where the liquid temperature, T, reached a maximum, and they were
found to be 𝑪𝑨 = 𝟎. 𝟏, 𝑪𝑩 = 𝟎. 𝟐, 𝑪𝒄 = 𝟎. 𝟓, and 𝑪𝑫 = 𝟏. 𝟓 all in mol/dm3. The
unit volume, Ua, is 10 cal/s.dm3.K. The feed is equal molar in A and B, and
the entering molar flow rate of A is 10 mol/s. What is the activation energy
for reaction (1)? E = ?? cal/mol

𝒄𝒂𝒍
𝑪𝑷 𝑨 = 𝑪𝑷 𝑩 = 𝑪𝑷 𝑪 = 𝟑𝟎
𝒎𝒐𝒍𝑲
𝒄𝒂𝒍 𝒄𝒂𝒍
𝑪𝑷 𝑫 = 𝟗𝟎 , 𝑪𝑷 𝑰 = 𝟑𝟎
𝒎𝒐𝒍𝑲 𝒎𝒐𝒍𝑲
∆𝑯𝑹𝒙𝟏𝑨 = +𝟓𝟎, 𝟎𝟎𝟎 𝒄𝒂𝒍/𝒎𝒐𝒍𝑨
∆𝑯𝑹𝒙𝟐𝑩 = +𝟓𝟎𝟎𝟎 𝒄𝒂𝒍/𝒎𝒐𝒍𝑨
𝒅𝒎𝟑
𝒌𝟏𝑪 = 𝟎. 𝟎𝟒𝟑 𝒂𝒕 𝟒𝟎𝟎𝑲
𝒎𝒐𝒍𝒔
𝒅𝒎𝟑 𝟓𝟎𝟎𝟎( 𝟏 −𝟏)
𝒌𝟐𝑫 = 𝟎. 𝟒 𝒆 𝟓𝟎𝟎 𝑻
𝒎𝒐𝒍𝒔
JAWAB
𝑜
Untuk reaction (1) maupun (2), ∆𝐶𝑃 = 0, maka ∆𝐻𝑅𝑥 (𝑇) = ∆𝐻𝑅𝑥 .
Energi Balance
𝑑𝑇 𝑈𝑎(𝑇𝑎 − 𝑇) + 𝑟1𝐴 ∆𝐻𝑅𝑥1𝐴 + 𝑟2𝐵 ∆𝐻𝑅𝑥2𝐵
=
𝑑𝑉 ∑ 𝐹𝑗 𝐶𝑃 𝐽
Rate Law
𝑟1𝐶 1
𝑟1𝐴 = − = − 𝑘1𝐶 𝐶𝐴 𝐶𝐵
2 2
𝑟2𝐵 = −2𝑟1𝐷 = −2𝑘2𝐷 𝐶𝐵 𝐶𝐶

𝑑𝑇
Saat T=500K, = 0, maka 𝑈𝑎(𝑇𝑎 − 𝑇) + 𝑟1𝐴 ∆𝐻𝑅𝑥1𝐴 + 𝑟2𝐵 ∆𝐻𝑅𝑥2𝐵 = 0. Dari sini,
𝑑𝑉
didapatkan:
𝑈𝑎(𝑇𝑎 − 𝑇) − 𝑟2𝐵 (−∆𝐻𝑅𝑥2𝐵 ) 𝑈𝑎(𝑇𝑎 − 𝑇) − (2𝑘2𝐷 𝐶𝐵 𝐶𝐶 )(−∆𝐻𝑅𝑥2𝐵 )
𝑟1𝐴 = =
∆𝐻𝑅𝑥1𝐴 ∆𝐻𝑅𝑥1𝐴
10(500 − 325) − (2 × 0.4 × 0.2 × 0.5)(−5000)
𝑟1𝐴 = = −0.043
−50000
1 1
𝑟1𝐴 = −0.043 = − 𝑘1𝐶 𝐶𝐴 𝐶𝐵 = − 𝑘1𝐶 × 0.1 × 0.2
2 2
𝐸 1 1
𝑘1𝐶(500) = 𝑘1𝐶(400) exp ( ( − ))
𝑅 400 500
𝑘1𝐶(500)
ln ( ) ln ( 4.3 )
𝐸 𝑘1𝐶(400) 0.043 = 2000 ln(100) = 9210.34
= =
𝑅 ( 1 − 1 ) ( 100 )
400 500 200000
𝑐𝑎𝑙
𝐸 = 18300.95
𝑚𝑜𝑙𝐾

P8-25C Xylene has three major isomers (m-xylene, o-xylene p-xylene). When o-
xylene is passed over a catalyst, following elementary reaction is observed.

m-xylene

p-xylene

o-xylene
 The feed to the reactor is equal molar in both m-xylene and o-xylene (species
B and A). 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 part (a) to (c) for a 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 probem?

JAWAB
𝑚𝑜𝑙 460
𝐶𝑇0 = 2 𝑘3 = 0.005 exp {[4.6 (1 − ( ))]}
𝑑𝑚3 𝑇
𝐽 430
∆𝐻𝑅𝑥10 = −1800 𝑜 − 𝑥𝑦𝑙𝑒𝑛𝑒 𝐾𝑐 = 10 exp [4.8 ( − 1.5)]
𝑚𝑜𝑙 𝑇
𝐽
∆𝐻𝑅𝑥30 = −1100 𝑜 − 𝑥𝑦𝑙𝑒𝑛𝑒 𝑇𝑜 = 330 𝐾
𝑚𝑜𝑙
320 𝑇𝑎 = 500 𝐾
𝑘1 = 0.5 exp [2(1 − ] 𝑈𝑎 𝐽
𝑇 = 16 min 𝐶
𝑘1 𝜌𝑏 𝑘𝑔𝑐𝑎𝑡
𝑘2 = 𝑊 = 100 𝑘𝑔
𝐾𝑐

Mol Balance
𝑑𝐹𝐴 𝑑𝐹 𝑑𝐹
= 𝑟𝐴 , 𝑑𝑊𝐵 = 𝑟𝐵 , 𝑑𝑊𝐶 = 𝑟𝐶
𝑑𝑊
o-xylene
(B)
Rate Law
𝑟𝐴 = −𝑟2𝐵 + 𝑟1𝐴 + 𝑟3𝐴 k1
𝑟𝐵 = −𝑟1𝐴 + 𝑟2𝐵 k2

𝑟𝐶 = −𝑟3𝐴
𝑟1𝐴 = −𝑘1 𝐶𝐴 k3 P-xylene
𝑟2𝐵 = −𝑘2 𝐶𝐵 (C)
o-xylene
𝑟3𝐴 = −𝑘3 𝐶𝐴 (A)

Stoikiometri
𝐹𝐴 𝑇0
𝐶𝐴 = 𝐶𝑇
𝐹𝑇 𝑇
𝐹𝐵 𝑇0
𝐶𝐵 = 𝐶𝑇
𝐹𝑇 𝑇
Energy Balance
𝑑𝑇 𝑈𝑎(𝑇𝑎 − 𝑇) + 𝑟1𝐴 ∆𝐻𝑅𝑥1𝐴 + 𝑟2𝐵 ∆𝐻𝑅𝑥2𝐵 + 𝑟3𝐴 ∆𝐻𝑅𝑥3𝐴
=
𝑑𝑉 𝐹𝐴 𝐶𝑝𝐴 + 𝐹𝐵 𝐶𝑝𝐵 + 𝐹𝐶 𝐶𝑃𝐶
𝑑𝑇 16(500 − 𝑇) + 𝑟1𝐴 × 1800 + 𝑟2𝐵 × 1800 + 𝑟3𝐴 × 1100
=
𝑑𝑉 100(𝐹𝐴 + 𝐹𝐵 + 𝐹𝐶 )
320
𝑘1 = 0.5 exp [2(1 − ]
𝑇
𝑘1
𝑘2 =
𝐾𝑐
460
𝑘3 = 0.005 exp {[4.6 (1 − ( ))]}
𝑇
430
𝐾𝑐 = 10 exp [4.8 ( − 1.5)]
𝑇

Polymath*
*Polymath solution manual salah, daripada dT/dw = (Ua * (Ta - T) + (-r1a) * (-Dhr1a) + (-
r2b) * (Dhr1a) * (-r3a) * (-Dhr3a)) / (fa * cpa + fb * cpb + fc * cpc), yang benar adalah dT/dw =
(Ua * (Ta - T) + (-r1a) * (-Dhr1a) + (-r2b) * (-Dhr1a) + (-r3a) * (-Dhr3a)) / (fa * cpa + fb * cpb
+ fc * cpc)

POLYMATH Results
05-14-2019, Rev5.1.233

Calculated values of the DEQ variables

Variable initial value minimal value maximal value final value

w 0 0 100 100
fa 1 0.6575306 1.5588188 0.7444613
fb 1 0.1448645 1.34067 0.1448645
fc 0 0 1.1106742 1.1106742
T 330 330 710.37314 633.15131
Ua 16 16 16 16
Ta 500 500 500 500
Dhr1a -1800 -1800 -1800 -1800
Dhr3a -1100 -1100 -1100 -1100
cpa 100 100 100 100
cpb 100 100 100 100
cpc 100 100 100 100
k1 0.5312401 0.5312401 1.5006642 1.3445185
k3 8.165E-04 8.165E-04 0.0252971 0.0175917
ct 2 2 2 2
ft 2 2 2 2
To 330 330 330 330
Kc 3.8850294 0.1364404 3.8850294 0.1944596
k2 0.1367403 0.1367403 10.998677 6.9141264
ca 1 0.3880151 1 0.3880151
cb 1 0.0755037 1.2035631 0.0755037
r1a -0.5312401 -1.0923972 -0.3823102 -0.5216934
r3a -8.165E-04 -0.0166852 -8.165E-04 -0.0068258
rc 8.165E-04 8.165E-04 0.0166852 0.0068258
r2b -0.1367403 -1.1077731 -0.1367403 -0.5220422
rb 0.3944998 -0.1147173 0.3944998 -3.488E-04
ra -0.3953164 -0.3953164 0.1124966 -0.006477

ODE Report (RKF45)

Differential equations as entered by the user

[1] d(fa)/d(w) = ra
[2] d(fb)/d(w) = rb
[3] d(fc)/d(w) = rc
[4] d(T)/d(w) = (Ua * (Ta - T) + (-r1a) * (-Dhr1a) + (-r2b) * (-Dhr1a) + (-r3a) * (-Dhr3a)) / (fa *cpa + fb * cpb + fc
* cpc)
Explicit equations as entered by the user
[1] Ua = 16
[2] Ta = 500
[3] Dhr1a = -1800
[4] Dhr3a = -1100
[5] cpa = 100
[6] cpb = 100
[7] cpc = 100
[8] k1 = .5 * exp(2 * (1 - 320 / T))
[9] k3 = .005 * exp(4.6 * (1 - (460 / T)))
[10] ct = 2
[11] ft = 2
[12] To = 330
[13] Kc = 10 * exp(4.8 * (430 / T - 1.5))
[14] k2 = k1 / Kc
[15] ca = ct * fa / ft * To / T
[16] cb = ct * fb / ft * To / T
[17] r1a = -k1*ca
[18] r3a = -k3*ca
[19] rc = -r3a
[20] r2b = -k2*cb
[21] rb = -r1a+r2b
[22] ra = -r2b+r1a+r3a

a. Find the lowest concentration of o-xylene achieved in the reactor

CAmin = 0.3880151 mol/L
b. Find the highest concentration of m-xylene achieved in the reactor
CBmax = 1.2035631 mol / L
c. Find the maximum concentration of o-xylene in the reactor
CAmax = 1 mol / L
d. Repeat part (a) to (c) for a pure feed of o-xylene
FB0 = 0
POLYMATH Results
No Title 05-14-2019, Rev5.1.233

Calculated values of the DEQ variables

Variable initial value minimal value maximal value final value

w 0 0 100 100
fa 1 0.4359501 1 0.4359501
fb 0 0 0.5395162 0.1207357
fc 0 0 0.4433141 0.4433141
T 330 330 612.51032 571.39873
Ua 16 16 16 16
Ta 500 500 500 500
Dhr1a -1800 -1800 -1800 -1800
Dhr3a -1100 -1100 -1100 -1100
cpa 100 100 100 100
cpb 100 100 100 100
cpc 100 100 100 100
k1 0.5312401 0.5312401 1.2994946 1.2053793
k3 8.165E-04 8.165E-04 0.0157181 0.0122588
ct 2 2 2 2
ft 2 2 2 2
To 330 330 330 330
Kc 3.8850294 0.2170375 3.8850294 0.276588
k2 0.1367403 0.1367403 5.9874198 4.358032
ca 1 0.2517743 1 0.2517743
cb 0 0 0.4507443 0.0697285
r1a -0.5312401 -0.5312401 -0.281282 -0.3034836
r3a -8.165E-04 -0.0061761 -8.165E-04 -0.0030865
rc 8.165E-04 8.165E-04 0.0061761 0.0030865
r2b 0 -0.5344681 0 -0.3038791
rb 0.5312401 -0.0611836 0.5312401 -3.955E-04
ra -0.5320567 -0.5320567 0.0596314 -0.0026909

ODE Report (RKF45)

Differential equations as entered by the user

[1] d(fa)/d(w) = ra
[2] d(fb)/d(w) = rb
[3] d(fc)/d(w) = rc
[4] d(T)/d(w) = (Ua * (Ta - T) + (-r1a) * (-Dhr1a) + (-r2b) * (-Dhr1a) + (-r3a) * (-Dhr3a)) / (fa *cpa + fb * cpb + fc
* cpc)

Explicit equations as entered by the user

[1] Ua = 16
[2] Ta = 500
[3] Dhr1a = -1800
[4] Dhr3a = -1100
[5] cpa = 100
[6] cpb = 100
[7] cpc = 100
[8] k1 = .5 * exp(2 * (1 - 320 / T))
[9] k3 = .005 * exp(4.6 * (1 - (460 / T)))
[10] ct = 2
[11] ft = 2
[12] To = 330
[13] Kc = 10 * exp(4.8 * (430 / T - 1.5))
[14] k2 = k1 / Kc
[15] ca = ct * fa / ft * To / T
[16] cb = ct * fb / ft * To / T
[17] r1a = -k1*ca
[18] r3a = -k3*ca
[19] rc = -r3a
[20] r2b = -k2*cb
[21] rb = -r1a+r2b
[22] ra = -r2b+r1a+r3a

 Find the lowest concentration of o-xylene achieved in the reactor

CAmin = 0.2517743 mol/L
 Find the highest concentration of m-xylene achieved in the reactor
CBmax = 0.4507443 mol / L
 Find the maximum concentration of o-xylene in the reactor
CAmax = 1 mol / L

e. Vary some of the system parameters, and describe what you learn
 Decreasing the heat of reaction of reaction 1 slightly decreases the amount of m-
xylene formed.
 Decreasing the heat of reaction of reaction 3 causes more of para-xylene to be formed.
Increasing the feed temperature causes less of o-xylene to react and increases
formation of para-xylene. Increasing the ambient temperature causes a lot of p-xylene
to be formed.
f. What do you believe to be the point of this problem?
In multiple reaction like this, the value of k really matters, especially when k is
influenced by T.