(Finalized) Assignment Modelling CPE 603
(Finalized) Assignment Modelling CPE 603
(Finalized) Assignment Modelling CPE 603
Method.
Step size = 2 hr
Sample Calculation;
At t = 0 hr
k1 = 4.15 x 10-3 hr -1
k2 = 2.00 x 10-6 hr -1
dC ACO −3
=−k 1 C ACO =−( 4.15 ×10 ) ( 3.395 ) =−0.014072
dt
dC AA −3
=k 1 C ACO =( 4.15× 10 ) ( 3.395 )=0.014072
dt
dC DO 2 −3
=k 1 C ACO−2 k 2 C DO =( 4.15 ×10 ) ( 3.395 ) −¿
dt
dC gum 2 −6 −3 −11
=k 2 C DO =( 2 ×10 )( 2.56 × 10 ) =1.31×10
dt
dCn
Using Euler Method, C n+1=C n + ∆t :
dt
Table 1.X: Iteration of the concentration profile of the reactants and products using Euler Method.
Concentration vs Time
4.0000
3.5000
Concentration, C (kmol/m^3)
3.0000
2.5000
2.0000
1.5000
1.0000
0.832
0.5000
0.0000
067.3 200 400 600 800 1000 1200 1400 1600
Time, T (hours)
c
C DO =C ACO ,0 (θ DO + X)
a
Where,
C DO , 0 2.56 ×10−3
θ DO= = =7.54 ×10−4 kmol/m3
C ACO ,0 3.395
1
( )
C DO =3.395× 7.54 × 10−4 + 0.2443 =0.832 kmol/m 3
1
Using concentration of drying oil at 0.832 kmol/m3 for the 24.43% yield conversion in the
graph, the residence time, 𝜏 for the 24.43% yield conversion is at 67.3 hr.
Volume , V
τ=
Volumetric Flowrate , V o
Before calculate the volume, we must find the volumetric flowrate (V o) based on the
maximum yield capacity of the tetradecane or drying oil which is 100,000 tonne/year.
2.5656 kmol/m 3
Mole Fraction of Acetylated Caster Oil= =0.6059
4.2342 kmol /m 3
0.8294 kmol /m 3
Mole Fraction of Acetic Acid= =0.1959
4.2342 kmol /m3
0.8319 kmol /m 3
Mole Fraction of Drying Oil= =0.1965
4.2342 kmol/m 3
0.0073 kmol/m 3 −3
Mole Fraction of Gum= 3
=1.72× 10
4.2342 kmol/m
Therefore,
Density Mixture=¿
V
τ=
Vo
V
67.3 hr=
13.03 m 3 /hr
V =876.92m3
So that, the working volume (V) for the batch reactor when the process achieved 24.43%
yield conversion of drying oil with the residence time of 67.3 hours is 876.92 m3.
Calculation of the value for jacket Temperature, T Jacket & type of heating material need
to be chosen.
Assumptions:
Heating material that need to be used for operating temperature of 330oC is steam.
Time rate of change of internal, Flow of internal, kinetic, & Flow of internal, kinetic, & He
[ ][ ][ ][
kinetic, and potential energy inside = potential energy into system − potential energy out of system + by
system by convection∨diffusion by convection∨diffusion an
dE
=E¿ −E out + Q−W
dt
d ( ρVU )
=QG +Q
dt
d ( ρVU )
=λ 1 k 1 C ACO V + 2 λ 2 k 2 C DO2 V +UA (T j−T )
dt
Where U = h,
d ( ρVh)
=λ 1 k 1 C ACO V + 2 λ 2 k 2 C DO2 V +UA (T j−T )
dt
Substitute h = CP.T
d ( ρV C P T )
=λ 1 k 1 C ACO V +2 λ2 k 2 C DO 2 V +UA (T j −T )
dt
dT
( ρV C P) = λ1 k 1 C ACO V +2 λ2 k 2 C DO 2 V +UA (T j −T )
dt
2
dT λ 1 k 1 C ACO 2 λ2 k 2 C DO UA (T j−T )
= + +
dt ρC P ρ CP ρV C P
Heat of formation for the Acetylated Castor Oil, hf,ACO = -848.4 kJ/mol
Heat of formation for the Acetic Acid, hf,AA = -431.9 kJ/mol
Heat of formation for the Drying Oil, hf,DO = -403.3 kJ/mol
Heat of formation for the Gum, hf,gum = -314.56 kJ/mol
λ 1=¿
λ 1=¿
λ 2=[ h f , gum]−2[hf , DO ]
λ 2=¿
λ 2=¿
Calculation of Heat Capacity, Cp: (at 25oC / 298K) – Cite Perry’s CE Handbook
CP ( molcal. K )=a+bT +c T +d T 2 3
T =298.15 K
Cp constant Cp
Component -3
a (x10 ) b (x10-5) c (x10-8) d (x10 ) -12
(cal/K.mol)
c b a b a
ΔC P ,R 1= C P , DO + C P , AA − C P , ACO ΔC P ,R 2= C P , gum− C P , DO
a a a a a
1 1 1 1 2
ΔC P ,R 1= ( 353.23 )+ ( 138.68 ) − (110.75 ) ΔC P ,R 2= ( 315.4 )− ( 353.23 )
1 1 1 2 2
cal cal
ΔC P ,R 1=381.16 ΔC P ,R 2=−195.53
mol . K mol . K
3.395 kmol/m 3
Mole Fraction of Acetylated Caster Oil= =0.997
3.405 kmol/m 3
Therefore,
Density Mixture=¿
Cpmix =∑ X i C pi
C pmix =¿
cal kJ kJ
C pmix =111.3583 @ 0.4659 @ 465.9233
mol . K mol . K kmol . K
For safety purpose, we need to consider the air spacing in the reactor to be at least 30%.
Volume liquid=876.92m 3
πD 2 L
Volume reactor =
4
L
Heuristic= =2.5
D
3 πD 2
1140 m = ×2.5 D
4
D=8.3424 m
4
A= ×V
D
4
A= ×1140 m 3
8.3424 m
A=546.61m2
By using data:
2
dT λ 1 k 1 C ACO 2 λ2 k 2 C DO UA (T j−T )
= + +
dt ρC P ρ CP ρV C P
600
Temperature Reactor,T (K)
590
580
570
560
550
0 10 20 30 40 50 60 70 80
Time,t (hr)
d ( ρ j V j U j)
=F jo ρ jo U jo −F j ρ j U j−UA (T j −T )
dt
Where U = h,
d (ρ jV jh j)
=F jo ρ jo h jo −F j ρ j h j−UA (T j−T )
dt
Substitute h = CP.T
d (ρ jV jCP jT j)
=ρ jo F jo C P jo T jo −ρ j F j C P j T j−UA (T j−T )
dt
d (ρ jV jCP jT j)
=ρ j F j C P j (T jo −T j )−UA (T j−T )
dt
dT j
(ρ jV jCP j) = ρ j F j C P j (T jo −T j )−UA (T j−T )
dt
d T j F j (T jo −T j ) UA (T j−T )
= −
dt Vj ρ jV jC Pj
V j=V ×10 %
V j=1140 m 2 × 0.1
V j=114 m2
Vj
F j=
τ
114 m 2
F j=
67.3 hr
F j=1.694 m3 /hr
By using data:
d T j F j (T jo −T j ) UA (T j−T )
= −
dt Vj ρ jV jC Pj
640
620
600
580
560
0 10 20 30 40 50 60 70 80
Time, t (hr)
Temperature Profiles plotted for both the Treactor & Tjacket at t = 0 until t > 𝜏.
680
660
640
Temperature, T (K)
620
600
580
560
540
520
0 10 20 30 40 50 60 70 80
Time, t (hr)
πD 2 L
Overall Volume of reactor =
4
L
Heuristic= =2.5
D
3 πD 2
1254 m = ×2.5 D
4
D=8.612m
L=2.5 D
L=2.5 × 8.612m
L=21.53 m