Simultaneous dehydrogenation ethylbenzene in Membrane Reactor

Gambar 1. Mekanisme reaksi dehydrogenasi ethylbenzene menjadi styrene

Dengan reaksi elementernya sebagai berikut:

Ethylbenzene ↔ Styrene + H2 (1)
EB ↔ S + H

Namun beberapa reaksi samping irreversible juga terjadi :

Ethylbenzene  Benzene + Ethylene (2)
EB  B E

Ethylbenzene + H2  Toluene + Methane (3)

EB + H  T + M

H2 O + ½ C2H4  CO + 2H2 (4)

H2 O + CH4  CO + 3H2 (5)
H2 O + CO  CO2 + H2 (6)

Dari gambar (1) dapat dilihat terjadi pembentukan coke (karbon), namun tidak
dijelaskan lebih mendalam di dalam jurnalnya. Dengan demikian mekanisme yang dimaksud
adalah (Arno Behr, 2006):

C6H5CH2CH3  8 C + 5 H2 ΔH = 1.72 kJ/mol (7)

C + 2 H2O  CO2 + 2 H2 ΔH = 99.6 kJ/mol (8)
 Reaksi dehidrogenasi etilbenzena menjadi stirena dan hidrogen merupakan reaksi
endotermis dengan ΔHR (600 0C) sebesar 124,9 kJ/mol. Reaksi kedua yang menghasilkan
benzena juga termasuk reaksi endotermis dengan nilai ΔH R (600 0C) sebesar 101,8 kJ/mol.
Sedangkan reaksi ketiga yang menghasilkan toluena adalah reaksi eksotermis dengan nilai ΔH R
(600 0C) sebesar -64,5 kJ/mol (Arno Behr, 2006).
Membrane properties
Porosity of the support 0.5
Pore size of the support 0.2 μm
Tortuosity of the support 3
Thickness of the support 2 mm
Thickness of the Pd-layer 10 μm

Catalyst properties
Pellet size 3 mm
Fixed-bed void fraction 0.5
Pellet density 2150 kg/m3

Operating conditions
Temperature 620 0C
WHSV 1.0 h-1
S/O (molar) 12
[Ch. Hermann et al./Journal of Membrane Science 136 (1997) 161-172].
Feed Conditions :

Steam
1. Ratio =12
Oil

2. Feed ethylbenzene=5 mol /s

3. Feed Steam=60 mol /s

4. Pressure=2.5 atm

1
5. Temperature=620 K

atm L
6. R=0.082
mol K

7. Diameter reactor ( DR)=2.5 m

8. Diameter particle=3 mm=0.003 m

9. Ф=0.5

10. ρcat =2150 kg/m3

m
11. g=9.8 2
x 36002=127008000 m/h2
s

Name C1x 1E-05 C2x 1E-05 C3x 1E-03 C4x 1E-05 C5

Ethylbenzene 0.7844 3.3990 1.5590 2.4260 -702
Styrene 0.8930 2.1503 0.7720 0.9990 2442
Hydrogen 0.2762 0.0956 2.4660 0.0376 567.6
Benzene 0.4442 2.3205 1.4946 1.7213 -678.15
Ethylene 0.3338 0.9479 1.5960 0.5510 740.8
Toluene 0.5814 2.8630 1.4406 1.8980 -650.43
Methane 0.3330 0.7993 2.0869 0.4160 991.96
Carbonmonoxide 0.2911 0.0877 3.0851 0.0846 1538.2
Carbondioxide 0.2937 0.3454 1.4280 0.2640 588
Water 0.3336 0.2679 2.6105 0.0890 1169
*sumber : Perry’s Chemical Engineering Handbook 7th Edition Chapter 2 Table 2-198

2 2
C3 C3 C5 C5
C p=C 1+C 2
[ T ( )]
/sinh
T
+C 4
[ T ( )]
/cosh
T

T dalam Kelvin dan Cp (heat capacity) dalam J/kmol.K

2
 Data kinetika Abdalla et al (1994) dalam jurnal Mousavi et al., 2012
Reaction Rate
No
Reaksi kmol/s.kgcat Aj Ej (J/mol)
Pb Pc
1
C 6 H 5 CH 2 CH 3 ↔ C6 H 5 CHCH 2 + H 2  (
  R1=k 1 Pa−
Ke ) 8320 909000
2 C 6 H 5 CH 2 CH 3 → C6 H 6 +C2 H 4   R2=k 2 P a  4290000000 2800000
3  C 6 H 5 CH 2 CH 3+ H 2 →C 6 H 5 CH 3 +CH 4   R3=k 3 P a Pc 613 915000
4 2 H 2 O+C 2 H 4 → 2CO +4 H 2  R4 =k 4 P j P 0.5
e   395 1040000
5   H 2 O+C H 4 →CO +3 H 2   R5=k 5 P j P g 142 675000
P 582000000000
6   R6 =k 6 P j Ph
  H 2 O+CO →CO 2+ H 2 T3 0 736000
−E
RT
k = A j exp
− ΔF °
RT
K e =exp

J
ΔF °=122725−126.267 T −0.002194 T 2 ( )
mol

Tabel Data kinetika reaksi (Hermann, et al., 1997)

Reaction Rate
No
Reaksi kmol/s.kgcat Aj Ej (J/mol)
Pb Pc
1
C 6 H 5 CH 2 CH 3 ↔ C6 H 5 CHCH 2 + H 2  (
  R1=k 1 Pa−
Ke ) 5.95 x 10-9. 10(-4770/T+4.10)
2 C 6 H 5 CH 2 CH 3 → C6 H 6 +C2 H 4   R2=k 2 P a  10.3 2800000
3  C 6 H 5 CH 2 CH 3+ H 2 →C 6 H 5 CH 3 +CH 4   R3=k 3 P a Pc 8.52 x 10-10 915000
4 2 H 2 O+C 2 H 4 → 2CO +4 H 2  R4 =k 4 P j P 0.5
e   5.72 x 108 1040000
5   H 2 O+C H 4 →CO +3 H 2   R5=k 5 P j P g 1.03 x 10-11 675000
P
6   R6 =k 6 3 P j Ph
  H 2 O+CO →CO 2+ H 2 T 3.22 x 10-6 736000

2
−122725−126.267T −0.002194 T
K e =exp RT
x 105
−E
k = A j exp RT

3
 Tabel Data Entalpi Reaksi (Hermann, et al., 1997)
Enthalpy of reaction : ΔHR = a + bT + CT2
Reaction
a (J/mol) B (J/mol.K) C (J/mol.K2)
C 6 H 5 CH 2 CH 3 ↔ C6 H 5 CHCH 2 + H 2  111500 26.83 -0.01378
C 6 H 5 CH 2 CH 3 → C6 H 6 +C2 H 4   106700 -2.798 -0.002446
 C 6 H 5 CH 2 CH 3+ H 2 →C 6 H 5 CH 3 +CH 4 -46290 -28.89 0.009625
2 H 2 O+C 2 H 4 → 2CO +4 H 2  98050 32.84 -0.01419
  H 2 O+C H 4 →CO +3 H 2 192800 55.94 -0.0234
  H 2 O+CO →CO 2+ H 2 -44920 10.09 0

Neraca mol dan Rate Law pada PBR (Membrane reactor):

d FA
Species A (Ethylbenzene) : =r A
dW
C 6 H 5 CH 2 CH 3 ↔ C6 H 5 CHCH 2 + H 2 
C 6 H 5 CH 2 CH 3 → C6 H 6 +C2 H 4
 C 6 H 5 CH 2 CH 3+ H 2 →C 6 H 5 CH 3 +CH 4
r A =−r 1−r 2−r 3

d FB
Species B (Styrene) : =r B
dW
C 6 H 5 CH 2 CH 3 ↔ C6 H 5 CHCH 2 + H 2
r B=r 1

d FC
Species C (Hydrogen) : =r C
dW
C 6 H 5 CH 2 CH 3 ↔ C6 H 5 CHCH 2 + H 2
 C 6 H 5 CH 2 CH 3+ H 2 →C 6 H 5 CH 3 +CH 4
2 H 2 O+C 2 H 4 → 2CO +4 H 2 
  H 2 O+C H 4 →CO +3 H 2
  H 2 O+CO →CO 2+ H 2
r C =r 1−r 3 +r 4+ r 5 +r 6−KcCc

4
 d FD
Species D (Benzene) : =r D
dW
C 6 H 5 CH 2 CH 3 → C6 H 6 +C2 H 4  
r D=r 2

d FE
Species E (Ethylene) : =r E
dW
C 6 H 5 CH 2 CH 3 → C6 H 6 +C2 H 4  
2 H 2 O+C 2 H 4 → 2CO +4 H 2
r E=r 2−0.5 r 4

d FF
Species F (Toluene) : =r F
dW
C 6 H 5 CH 2 CH 3+ H 2 →C 6 H 5 CH 3 +CH 4
r F=r 3

d FG
Species G (Methane) : =r G
dW
 C 6 H 5 CH 2 CH 3+ H 2 →C 6 H 5 CH 3 +CH 4
  H 2 O+C H 4 →CO +3 H 2
r F=r 3−r 5

d FH
Species H (Carbon monoxide): =r I
dW
2 H 2 O+C 2 H 4 → 2CO +4 H 2
  H 2 O+C H 4 →CO +3 H 2
  H 2 O+CO →CO 2+ H 2
r H =r 4 + r 5−r 6

5
 d FI
Species I (Carbon dioxide) : =r I
dV
H 2 O+CO →CO 2+ H 2
r I =r 6

d FJ
Species J (Water) : =r J
dV
2 H 2 O+C 2 H 4 → 2CO +4 H 2
  H 2 O+C H 4 →CO +3 H 2
  H 2 O+CO →CO 2+ H 2
r J =−r 4−r 5 −r 6

Stoikiometri
Fj T0 P
C j=C T 0 ( )
F T T P0

Bila menerapkan gas ideal, maka berlaku:

Po P
C T 0= dan C j= j
RT 0 RT
sehingga:
Pj P F j T0 P
= 0
[ ]
RT RT 0 F T T P0
Fj
P j= P
FT
FA F F
PA=
[ ]
FT FT [ ]
P ; P B= B P; PC = C P
FT [ ]
F T =F A + F B + F C + F D + F E + F F + FG + F H + F I + F J

Neraca Energi

6
 dT UA  Ta  T    i 1   ri j   H R X ij  T  
m


 Fj C p j
m
dV
j 1

m
UA ( T a −T ) + ∑ −r ij [− ΔH RXij ( T ) ]
dT i−1
= m
ρcat
dW
∑ F j C pj
j−1

Karena adiabatik UA=0

Sehingga :

dT i−1
∑ (−r ij ) [−ΔH RXij ( T )]
= m
dV
∑ F j C pj
j−1

dT i−1
∑ −r ij [−ΔH RXij ( T ) ]
= m
ρcat
dW
∑ F j C pj
j−1

Presssure drop :
Perhitungan massa total :
mol mol
Ethylbenzene : F A 0=0.01 =36 =0.036 kmol/h
s h

mol mol
Steam: F H 0 =0.12 =432 =0.432 kmol/h
s h

kmol kg
m A 0 =0.036 x 106.167 =3.8 kg /h
h kgmol

kmol kg
m B 0 =0.432 x 18 =7.776 kg/h
h kgmol

7
m T 0 =3.8+7.776=11.5760 kg/h

F A0
y A0=
FT 0

Densitas umpan:
ρ0 =998 kg /m 3
Viskositas umpan:
kg
μ=0.03
m .h

Reaktor Silinder
W =(1−Ф) Ac ρ c L

π 2
Ac = D
4 R

π
Ac = 52 =19.625m 2
4

m 42.7 kg 1 lbm 10.76365 ft 2 lbm

G= = =2.175 2
= = 2
=51.63144
Ac 19.625 h.m 0.45359 kg 1m h . ft 2

G(1−Ф) 150 ( 1−Ф ) μ

β 0=
[
ρ 0 g D p Ф3 Dp
+1.75 G
]
51.63114 x (1−0.5 ) 150 x ( 1−0.5 ) 1 ft 2 1 atm
β 0= 8
62.43 x 4.17 x 10 x 0.009842 x 0.5 3 [
0.009842 ]
+1.75 x 51.63114 x x
144 ¿ 14.7 lbf
2

¿2

β 0=0.976 Pa/m

2 β0
α=
A c P 0(1−Ф) ρc

dy −α T
= (1+ εX )
dW 2 y T0

8
 F A 0 −F A
X=
F Ao

HASIL PERHITUNGAN POLYMATH DENGAN MENGGUNAKAN DATA JURNAL HERMANN dkk.

d(Fa)/d(W) = ra
d(Fb)/d(W) = rb
d(Fc)/d(W) = rc - kcm * Cc
d(Fd)/d(W) = rd
d(Fe)/d(W) = re
d(Ff)/d(W) = rf
d(Fg)/d(W) = rg
d(Fh)/d(W) = rh
d(Fi)/d(W) = ri
d(Fj)/d(W) = rj
d(T)/d(W) = (-((deltaH1 * r1) + (deltaH2 * r2) + (deltaH3 * r3) + (deltaH4 * r4) + (deltaH5 * r5) +
(deltaH6 * r6))) / (rho * ((Fa * Cpa) + (Fb * Cpb) + (Fc * Cpc) + (Fd * Cpd) + (Fe * Cpe) + (Ff * Cpf)
+ (Fg * Cpg) + (Fh * Cph) + (Fi * Cpi) + (Fj * Cpj)))
d(y)/d(W) = -alpha * (T / T0) * (Ft / Ft0) / (2 * y)
r1 = 5.95e-9 * (10 ^ ((-4770 / T) + 4.1)) * (Pa - ((Pb * Pc) / Ke)) * 3600 # kmol/kg.h
r2 = 10.3 * (exp((-208000 / (R * T)))) * (Pa) * 3600 # kmol/kg.h
r3 = 8.52e-10 * (exp(-91500 / (R * T))) * (Pa * Pc) * 3600 # kmol/kg.h
r4 = (5.72 * 100000000) * (exp(-104000 / (R * T))) * Pj * (Pe ^ 0.5) * 3600 # kmol/kg.h
r5 = (1.03e-11) * exp(-65700 / (R * T)) * Pj * Pg * 3600 # kmol/kg.h
r6 = (3.22e-6) * exp(-73600 / (R * T)) * P / (T ^ 3) * Pj * Ph * 3600 # kmol/kg.h
alpha = 2 * beta / (Ac * rho * (1 - void) * P0)
beta = G * (1 - void) / (g * rho0 * Dp * (void ^ 3)) * ((150 * (1 - void) * miu / Dp) + ((175 / 100) *
G)) / (144 * 14.7) # Pa/m
Ke = exp((122700 - (126.3 * T) - (2.194 * (T ^ 2))) / R / T / 100000)
deltaH1 = 111.5 + (26.83 * T) + (-0.01378 * (T ^ 2)) # J/mol
deltaH2 = 1067000 + (-2.798 * T) + (-0.002446 * (T ^ 2)) # J/mol
deltaH3 = -46290 + (-28.89 * T) + (0.009625 * (T ^ 2)) # J/mol
deltaH4 = 98050 + (32.84 * T) + (-0.01419 * (T ^ 2)) # J/mol
deltaH5 = 192800 + (55.94 * T) + (-0.02340 * (T ^ 2)) # J/mol
deltaH6 = -44920 + (10.09 * T) # J/mol
X = (Fa0 - Fa) / Fa0
Cc = CT0 * Fc / Ft
CT0 = P0 / (R * T0)
Pa = Fa / Ft * P
Pb = Fb / Ft * P
Pc = Fc / Ft * P
Pe = Fe / Ft * P
Pg = Fg / Ft * P
Ph = Fh / Ft * P

9
Pj = Fj / Ft * P
P = y * P0
Ft = Fa + Fb + Fc + Fd + Fe + Ff + Fg + Fh + Fi + Fj
Ac = phi * (r ^ 2)
g = 127008000
ra = -r1 - r2 - r3
rb = r1
rc = r1 - r3 + (2 * r4) + (3 * r5) + r6
rd = r2
re = r2 - (0.5 * r4)
rf = r3
rg = r3 - r5
rh = r4 + r5 - r6
ri = r6
rj = -r4 - r5 - r6
Ft0 = Fa0 * 13
Fa0 = 0.036
kcm = 10
G = m / Ac / 0.45359 * 10.76365 # lbm/h.ft^2
m = mA0 + mB0
mA0 = Fa0 * 106.167
mB0 = 12 * Fa0 * 38.9
rho0 = 988
T0 = 273 + T0c # K
T0c = 620 # C deg
P0 = 2.5 * 1.0135 * (10 ^ 5) # Pa
R = 0.082 # atm.L/gmol.K
void = 0.5
rho = 2150 # kg/m^3
Cpa = (1/1000) * (0.7844e5 + (3.3990e5 * (((1.5590e3 / T) / (sinh(1.5590e3 / T))) ^ 2)) +
(2.4260e5 * ((-702 / T) / (cosh(-702 / T))) ^ 2)) # J/mol.K
Cpb = (1/1000) * (0.8930e5 + (2.1503e5 * (((0.7720e3 / T) / (sinh(0.7720e3 / T))) ^ 2)) +
(0.9990e5 * ((2442 / T) / (cosh(2442 / T))) ^ 2)) # J/mol.K
Cpc = (1/1000) * (0.2762e5 + (0.0956e5 * (((2.4660e3 / T) / (sinh(2.4660e3 / T))) ^ 2)) +
(0.0376e5 * ((567.6 / T) / (cosh(567.6 / T))) ^ 2)) # J/mol.K
Cpd = (1/1000) * (0.4442e5 + (2.3205e5 * (((1.4946e3 / T) / (sinh(1.4946e3 / T))) ^ 2)) +
(1.7213e5 * ((-678.15 / T) / (cosh(-678.15 / T))) ^ 2)) # J/mol.K
Cpe = (1/1000) * (0.3338e5 + (0.9479e5 * (((1.5960e3 / T) / (sinh(1.5960e3 / T))) ^ 2)) +
(0.5510e5 * ((740.8 / T) / (cosh(740.8 / T))) ^ 2)) # J/mol.K
Cpf = (1/1000) * (0.5814e5 + (2.8630e5 * (((1.4406e3 / T) / (sinh(1.4406e3 / T))) ^ 2)) +
(1.8980e5 * ((-650.43 / T) / (cosh(-650.43 / T))) ^ 2)) # J/mol.K
Cpg = (1/1000) * (0.3330e5 + (0.7993e5 * (((2.0869e3 / T) / (sinh(2.0869e3 / T))) ^ 2)) +
(0.4160e5 * ((991.96 / T) / (cosh(991.96 / T))) ^ 2)) # J/mol.K

10
Cph = (1/1000) * (0.2911e5 + (0.0877e5 * (((3.0851e3 / T) / (sinh(3.0851e3 / T))) ^ 2)) +
(0.0846e5 * ((1538.2 / T) / (cosh(1538.2 / T))) ^ 2)) # J/mol.K
Cpi = (1/1000) * (0.2937e5 + (0.3454e5 * (((1.4280e3 / T) / (sinh(1.4280e3 / T))) ^ 2)) +
(0.2640e5 * ((588 / T) / (cosh(588 / T))) ^ 2)) # J/mol.K
Cpj = (1/1000) * (0.3336e5 + (0.2679e5 * (((2.6105e3 / T) / (sinh(2.6105e3 / T))) ^ 2)) +
(0.0890e5 * ((1169 / T) / (cosh(1169 / T))) ^ 2)) # J/mol.K
a = 111500 # J/mol
b = 2683e-2 # J/mol.K
c = -0.01378 # J/mol.K^2
phi = 22 / 7
r = 2.5 # m
Dp = 3e-3 # m
miu = 3 / 100
Fj(0) = 0.432
Fi(0) = 0
Fh(0) = 0
Fg(0) = 0
Ff(0) = 0
Fe(0) = 0
Fd(0) = 0
W(0) = 0
Fa(0) = 0.036
Fb(0) = 0
Fc(0) = 0
T(0) = 893
y(0) = 1
W(f) = 100

11
 Gambar 2. Hasil perhitungan dengan polymath

Gambar 3. Persamaan diferensial yang diselesaikan dengan polymath

12
 Gambar 4. Kurva W vs Fa,Fb,Fc

Gambar 5. Kurva W vs Fc (di dalam reaktor membran)

13
Gambar 6. Kurva W vs T

Gambar 7. Kurva W vs y

14
 Gambar 8. Kurva W vs X

Untuk kurva W vs y hasil yang didapatkan tidak terjadi penurunan tekanan, yang
kemungkinan disebabkan oleh pemilihan konstanta permeabel untuk reaktor membran cukup
besar untuk menyerap jumlah hidrogen yang dihasilkan. Padahal jumlah hidrogen yang
dihasilkan sangat sedikit (3,98 x 1013 kmol/jam).

Penulis juga membandingkan dengan penelitian-penelitian matematis untuk

dehidrogenasi etilbenzena lainnya, misalnya di dalam buku Elements of Chemical Reaction
Engineering, 4th Ed karangan Fogler, H. S. (2006) halaman 585. Data kinetika reaksi yang ada
antara lain untuk 3 reaksi utama:

Ethylbenzene ↔ Styrene + H2 (1)

Ethylbenzene  Benzene + Ethylene (2)
Ethylbenzene + H2  Toluene + Methane (3)
Dengan data kinetika reaksi sebagai berikut:

15
 (−0.08539−10925
T ) p B ∙ pC
 r 1= ρ ( 1−∅ ) ∙ e
[
∙ pA−
Kp ]
25000
 r = ρ ( 1−∅ ) ∙ e( )
15.2392−
T
2 ∙ pA

11000
 r = ρ ( 1−∅ ) ∙ e( )
0.2961−
T
3 ∙ p A ∙ pC

Dan untuk konstanta kesetimbangannya dihitung dengan persamaan berikut:

b2
{
K p =exp b 1+
T
+b3 ln ( T )+ [ ( b 4 T +b5 ) T +b6 ] T }
 b 1=−17.34
4
 b 2=−1.302× 10

 b 3=5.051

 b 4=−2.314 ×10
−10

 b 5=1.302× 10
−6

 b 6=−4.931×10
−3

Nilai r dalam kmol/m2.s; Kp dalam atm; dan T dalam Kelvin.

Karena data-data kinetika reaksi yang ada masih kurang, maka penulis berinisiatif untuk
mengkombinasikannya dengan reaksi (4), (5), dan (6) dari Jurnal Hermann dkk (1997).

8 ( −104000/ RT )
 r 4 =5.72 ×10 ∙ e ∙ pK ∙ √ p E

( −65700 / RT )
 r 5=1.03× 10 ∙ e
−11
∙ p J ∙ pG

73600
 r =3.22× 10−6 ∙e ( RT )
∙ pK ∙ pI
6

Berikut ini adalah hasil perhitungan dengan polymath.

16
DENGAN MENGGUNAKAN DATA KINETIKA GABUNGAN (JURNAL HERMANN DAN BUKU FOGLER)

d(Fa)/d(W) = ra
d(Fb)/d(W) = rb
d(Fc)/d(W) = rc - kcm * Cc
d(Fd)/d(W) = rd
d(Fe)/d(W) = re
d(Ff)/d(W) = rf
d(Fg)/d(W) = rg
d(Fh)/d(W) = rh
d(Fi)/d(W) = ri
d(Fj)/d(W) = rj
d(T)/d(W) = (-((deltaH1 * r1) + (deltaH2 * r2) + (deltaH3 * r3) + (deltaH4 * r4) + (deltaH5 * r5) +
(deltaH6 * r6))) / (rho * (Fa * Cpa) + (Fb * Cpb) + (Fc * Cpc) + (Fd * Cpd) + (Fe * Cpe) + (Ff * Cpf)
+ (Fg * Cpg) + (Fh * Cph) + (Fi * Cpi) + (Fj * Cpj))
d(y)/d(W) = -alpha * (T / T0) * (Ft / Ft0) / (2 * y)
r1 = rho * (1 - void) * (exp((-8539e-5) - (10925 / T))) * (Pa - ((Pb * Pc) / Ke)) * 3600 # kmol/kg.s
r2 = rho * (1 - void) * (exp((13.2392) - (25000 / T))) * (Pa) * 3600 # kmol/kg.s
r3 = rho * (1 - void) * (exp((0.2961) - (11000 / T))) * (Pa * Pc) * 3600 # kmol/kg.s
r4 = (5.72 * 100000000) * (exp(-104000 / R / T)) * Pj * (Pe ^ 0.5) * 3600 # kmol/kg.s
r5 = (1.03e-11) * exp(-65700 / R / T) * Pj * Pg * 3600 # kmol/kg.s
r6 = (3.22e-6) * exp(-73600 / R / T) * P0 / (T ^ 3) * Pj * Ph * 3600 # kmol/kg.s
Ke = exp(b1 + (b2 / T) + (b3 * (ln(T))) + (((((b4 * T) + b5) * T) + b6) * T))
alpha = 2 * beta / (Ac * rho * (1 - void) * P0)
beta = G * (1 - void) / (g * rho0 * Dp * (void ^ 3)) * ((150 * (1 - void) * miu / Dp) + ((175 / 100) *
G)) # kPa/m
deltaH1 = 111.5 + (26.83 * T) + (-0.01378 * (T ^ 2)) # J/mol
deltaH2 = 1067000 + (-2.798 * T) + (-0.002446 * (T ^ 2)) # J/mol
deltaH3 = -46290 + (-28.89 * T) + (0.009625 * (T ^ 2)) # J/mol
deltaH4 = 98050 + (32.84 * T) + (-0.01419 * (T ^ 2)) # J/mol
deltaH5 = 192800 + (55.94 * T) + (-0.02340 * (T ^ 2)) # J/mol
deltaH6 = -44920 + (10.09 * T) # J/mol
X = (Fa0 - Fa) / Fa0
Cc = CT0 * Fc / Ft
CT0 = P0 / (R * T0)
Pa = Fa / Ft * P
Pb = Fb / Ft * P
Pc = Fc / Ft * P
Pe = Fe / Ft * P

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Pg = Fg / Ft * P
Ph = Fh / Ft * P
Pj = Fj / Ft * P
P = y * P0
Ft = Fa + Fb + Fc + Fd + Fe + Ff + Fg + Fh + Fi + Fj
Ac = phi * (r ^ 2)
ra = -r1 - r2 - r3
rb = r1
rc = r1 - r3 + (2 * r4) + (3 * r5) + r6
rd = r2
re = r2 - (0.5 * r4)
rf = r3
rg = r3 - r5
rh = r4 + r5 - r6
ri = r6
rj = -r4 - r5 - r6
b1 = -17.34
b2 = -10020
b3 = 5051e-3
b4 = -0.0000000002314
b5 = 1302e-9
b6 = -0.004931
Fa0 = 0.036
kcm = 10
rho0 = 988
T0 = 273 + T0c # K
T0c = 620 # C deg
P0 = 2.5 # atm
R = 0.082 # atm.L/gmol.K
eps = 0.016
void = 5 / 10
rho = 2150 # kg/m^3
Cpa = (1/1000) * (0.7844e5 + (3.3990e5 * (((1.5590e3 / T) / (sinh(1.5590e3 / T))) ^ 2)) +
(2.4260e5 * ((-702 / T) / (cosh(-702 / T))) ^ 2)) # J/mol.K
Cpb = (1/1000) * (0.8930e5 + (2.1503e5 * (((0.7720e3 / T) / (sinh(0.7720e3 / T))) ^ 2)) +
(0.9990e5 * ((2442 / T) / (cosh(2442 / T))) ^ 2)) # J/mol.K
Cpc = (1/1000) * (0.2762e5 + (0.0956e5 * (((2.4660e3 / T) / (sinh(2.4660e3 / T))) ^ 2)) +
(0.0376e5 * ((567.6 / T) / (cosh(567.6 / T))) ^ 2)) # J/mol.K
Cpd = (1/1000) * (0.4442e5 + (2.3205e5 * (((1.4946e3 / T) / (sinh(1.4946e3 / T))) ^ 2)) +
(1.7213e5 * ((-678.15 / T) / (cosh(-678.15 / T))) ^ 2)) # J/mol.K
Cpe = (1/1000) * (0.3338e5 + (0.9479e5 * (((1.5960e3 / T) / (sinh(1.5960e3 / T))) ^ 2)) +
(0.5510e5 * ((740.8 / T) / (cosh(740.8 / T))) ^ 2)) # J/mol.K
Cpf = (1/1000) * (0.5814e5 + (2.8630e5 * (((1.4406e3 / T) / (sinh(1.4406e3 / T))) ^ 2)) +
(1.8980e5 * ((-650.43 / T) / (cosh(-650.43 / T))) ^ 2)) # J/mol.K

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Cpg = (1/1000) * (0.3330e5 + (0.7993e5 * (((2.0869e3 / T) / (sinh(2.0869e3 / T))) ^ 2)) +
(0.4160e5 * ((991.96 / T) / (cosh(991.96 / T))) ^ 2)) # J/mol.K
Cph = (1/1000) * (0.2911e5 + (0.0877e5 * (((3.0851e3 / T) / (sinh(3.0851e3 / T))) ^ 2)) +
(0.0846e5 * ((1538.2 / T) / (cosh(1538.2 / T))) ^ 2)) # J/mol.K
Cpi = (1/1000) * (0.2937e5 + (0.3454e5 * (((1.4280e3 / T) / (sinh(1.4280e3 / T))) ^ 2)) +
(0.2640e5 * ((588 / T) / (cosh(588 / T))) ^ 2)) # J/mol.K
Cpj = (1/1000) * (0.3336e5 + (0.2679e5 * (((2.6105e3 / T) / (sinh(2.6105e3 / T))) ^ 2)) +
(0.0890e5 * ((1169 / T) / (cosh(1169 / T))) ^ 2)) # J/mol.K
a = 111500 # J/mol
b = 2683e-2 # J/mol.K
c = -0.01378 # J/mol.K^2
phi = 22 / 7
r = 25 / 10 # m
G = 2.175
g = 98 / 10 # m/s^2
Dp = 3e-3 # m
miu = 3 / 100
Ft0 = 2.16 + 0.036
Fj(0) = 2.16
Fi(0) = 0
Fh(0) = 0
Fg(0) = 0
Ff(0) = 0
Fe(0) = 0
Fd(0) = 0
W(0) = 0
Fa(0) = 0.036
Fb(0) = 0
Fc(0) = 0
T(0) = 893
y(0) = 1
W(f) = 100

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 Gambar 9. Hasil perhitungan polymath (data kinetika campuran)

Gambar 10. Persamaan diferensial yang diselesaikan dengan polymath

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Gambar 11. Kurva W vs Fa, Fb, Fc (data kinetika campuran)

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Gambar 12. Kurva W vs T

Gambar 13. Kurva W vs y

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Gambar 14. Kurva W vs X

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 DAFTAR PUSTAKA

Arno Behr. 2006. Styrene Production From Ethylbenzene. Faculty of Biochemical and Chemical
Engineering Universitat Dortmund.

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

Hermann, Ch., Quicker, P., Dittmeyer, R. (1997). Mathematical simulation of catalytic

dehydrogenation of ethylbenzene to styrene in a composite palladium membrane
reactor. Journal of Membrane Science, 136, 161-172.

Mousavi, S.M., Panahi, P.N., Niaei A., Farzi A., Salari D. 2012. Modelling and Simulation of
Styrene Monomer Reactor: Mathematical and Artificial Neural Network Model.
International Journal of Scientific & Engineering Research Volume 3, Issue 3. ISSN 2229-
5518.

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