REPORT TO DEPARTMENT OF CHEMICAL ENGINEERING

EGE UNIVERSITY
FOR
COURSE: CHE386 CONCEPTUAL DESIGN II

DESIGN REPORT I

CSTR DESIGN FOR ETHYL ACETATE PRODUCTION

SUBMITTED TO

Prof. Dr. Ferhan ATALAY

SUBMISSION DATE

08/03/10

GROUP 3

05070008901 Ürün ARDA

05070008103 Berna KAYA
05070008849 Demet ACARGİL
05060008091 M. Serkan ACARSER
05060008017 Tayfun EVCİL
SUMMARY

This report is about the production ethyl acetate by the esterification reaction of acetic
acid and ethanol. Both components are in aqueous solution; the acetic acid is 96% pure and
ethanol is 96.5% pure. The reactants are fed to a CSTR at 750 C. The products are also
at 750C.

In the CSTR calculation which is the main part of the report, six-blade turbine is
chosen, and the motor power was calculated as 4.441 kW . A CSTR, most commonly, is
heated by either a jacket or an internal coil. In jacket calculations heat transfer area was found
as 6.36 m2, mass flow as 60.434 kg/s, T out as 197.94 0C , h i as 574.043, h o as 921.845 and U 0
as 347.32 W/m2K. In coil calculations heat transfer area was found as 3.14 m2, mass flow as
3.537 kg/s, T out as 164.866 0C, h i as 2001.16 , h o as 903.283 and U 0 as 818.318 W/m2K.
Finally, the number of coils was calculated as 6. Necessary calculations for both jacket and
coil were performed and the necessary comparisons were made in discussion part.

i
 TABLE OF CONTENTS

Summary ....................................................................................................................... i

1.0 Introduction ........................................................................................................... 1

2.0 Results ..................................................................................................................... 3

3.0 Discussion ................................................................................................................ 8

4.0 Nomenclature ....................................................................................................... 11

5.0 References ............................................................................................................ 13

6.0 Appendix .............................................................................................................. 14

ii
1.0 INTRODUCTION

Ethyl acetate (systematically, ethyl ethanoate, commonly abbreviated EtOAc or EA) is

the organic compound with the formula CH 3 COOCH 2 CH 3 . This colorless liquid has a
characteristic sweet smell (similar to pear drops) like certain glues or nail polish removers, in
which it is used. Ethyl acetate is the ester of ethanol and acetic acid; it is manufactured on a
large scale for use as a solvent. In 1985, about 400,000 tons were produced yearly in Japan,
North America, and Europe combined.In 2004, an estimated 1.3M tons were produced
worldwide.

PRODUCTION

Ethyl acetate is synthesized industrially mainly via the classic Fischer

esterification reaction of ethanol and acetic acid. This mixture converts to the ester in about
65% yield at room temperature:

CH 3 CH 2 OH + CH 3 COOH ⇌ CH 3 COOCH 2 CH 3 + H 2 O

The reaction can be accelerated by acid catalysis and the equilibrium can be shifted to
the right by removal of water. It is also prepared industrially using the Tishchenko reaction,
by combining two equivalents of acetaldehyde in the presence of an alkoxide catalyst:

2 CH 3 CHO → CH 3 COOCH 2 CH 3

By dehydrogenation of ethanol

A specialized industrial route entails the catalytic dehydrogenation of ethanol. This

method is less cost effective than the esterification but is applied with surplus ethanol in a
chemical plant. Typically dehydrogenation is conducted with copper at an elevated
temperature but below 250 °C. The copper may have its surface area increased by depositing
it on zinc, promoting the growth of snowflake, fractal like structures (dendrites). Surface area
can be again increased by deposition onto a zeolite, typically ZSM-5. Traces of rare
earth and alkali metals are beneficial to the process. Byproducts of the dehydrogenation
include diethyl ether, which is thought to primarily arise due to aluminum sites in the catalyst;
acetaldehyde and its aldol products; higher esters; and ketones. Separations of the byproducts
is complicated by the fact that ethanol forms an azeotrope with water, as does ethyl acetate
with ethanol and water, and methyl ethyl ketone (MEK, which forms from 2-butanol) with
both ethanol and ethyl acetate. These azeotropes are "broken" by pressure swing distillation or
membrane distillation.

USES

Ethyl acetate is primarily used as a solvent and diluent, being favored because of its
low cost, low toxicity, and agreeable odor. For example, it is commonly used to clean circuit
boards and in some nail varnish removers (acetone and acetonitrile are also used). Coffee
beans and tea leaves are decaffeinated with this solvent. It is also used in paints as an activator
or hardener.Ethyl acetate is present in confectionery, perfumes, and fruits. In perfumes, it
evaporates quickly, leaving but the scent of the perfume on the skin.

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LABORATORY USES

In the laboratory, mixtures containing ethyl acetate are commonly used in column
chromatography and extractions. Ethyl acetate is rarely selected as a reaction solvent because
it is prone to hydrolysis and transesterification.

In organic chemistry, especially in experiment, since ethyl acetate is very volatile and
with low boiling point, it can be removed by compressed air in a hot water bath.

OCCURRENCE IN WINES

Ethyl acetate is the most common ester in wine, being the product of the most
common volatile organic acid — acetic acid, and the ethyl alcohol generated during
the fermentation. The aroma of ethyl acetate is most vivid in younger wines and contributes
towards the general perception of "fruitiness" in the wine. Sensitivity varies, with most people
having a perception threshold around 120 mg/L. Excessive amounts of ethyl acetate are
considered a wine fault. Exposure to oxygen can exacerbate the fault due to the oxidation of
ethanol to acetaldehyde, which leaves the wine with a sharp vinegar-like taste.

OTHER USES

In the field of entomology, ethyl acetate is an effective asphyxiant for use in insect
collecting and study. In a killing jar charged with ethyl acetate, the vapors will kill the
collected (usually adult) insect quickly without destroying it. Because it is not hygroscopic,
ethyl acetate also keeps the insect soft enough to allow proper mounting suitable for a
collection.

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2.0 RESULTS

Table 1. Assuming and reference data of coil, jacket and oil

Coil Jacket

Assuming Data Ref. Data Assuming Data Ref. Data

υ coil [m/s] 3 k [W/mK] 0.1105 υ jacket [m/s] 0.6 Cp oil [J/kg.K] 2204

T in [oC] 200 Cp [J/kg.K] 2147.4983 T in [oC] 200 ρ oil [kg/m3] 897.6

d o [in] 1.9 μ [Pa.s] 0.86*10-3 t shell [cm] 1.5 k oil [W/m.K] 0.109

d i [in] 1.61 ρ [kg/m3] 910.2406 t jacket [cm] 2.3 μ oil [Pa.s] 0.73*10-3

Table 2. Agitator calculation

Agitator Calculation Results

D tank [m] H tank [m] d ag [m] E [m] Re Np [from fig.] P [kW] P act [kW] P motor [kW]

1.5 1.95 0.5 4.5 1*106 7 1.537 3.074 4.441

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Table 3. Properties of the components

Properties AcA EtOH EtAc H2O

Cp [50°C] [J/kgK] 2160 2670 2020 4180

Cp [75°C] [J/kgK] 2280 2960 2120 4190

ΔH f [J/mol] -486180 -277630 -463200 285840

Table 4. Density Correlations for Components (75°C)

Density Correlations for Components (75°C)

T MW C1 C2 C3 C4 ρ (kmol/m3) ρ (kg/m3)

AcA 348 60.0520 1.449 0.25892 591.95 0.2529 16.4726 989.2111

EtOH 348 46.0680 1.629 0.27469 514 0.23178 16.0271 738.3386

EtAc 348 88.1050 0.900 0.25856 523.3 0.278 9.4389 831.6123

Water 348 18.0150 -13.851 0.64038 -0.00191 1.8211E-06 54.4414 980.7616

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Table 5. Viscosity Correlations for Components (75°C)

Viscosity Correlations for Components (75°C)

T C1 C2 C3 C4 C5 μ (Pa.s)

AcA 348 -9.0300 1212.300 -0.322 - - 5.93*10-4

EtOH 348 7.8750 781.980 -3.0418 - - 4.62*10-4

EtAc 348 14.3540 -154.600 -3.7887 - - 2.58*10-4

Water 348 -52.8430 3703.600 5.866 -5.88E-29 10 3.81*10-4

Table 6. Properties of the components after mixing, at 75°C

ρ,mix [kg/m3] μ,mix [Pa.s] k,mix [W/mK] Cp,mix (Pa.s)

878.489 0.000429 0.15 2898.1

Table 7. Flow rates of components

F AcA [kmol/min] F EtOH [kmol/min] F EtAc [kmol/min] F Water [kmol/min] F TOTAL [kmol/min]

0.636 0.745 0.453 0.54 2.374

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Table 8. Concentrations of components at the exit

C AcA [kmol/m3] C EtOH [kmol/m3] C EtAc [kmol/m3] C Water [kmol/m3]

10.411 11.959 7.273 8.698

-rAcA = 0.152 kmol/m3min

V liquid = 2.983 m3

V tank= 3.43 m3

Table 9. Mole fraction of the components

X AcA X EtOH X EtAc X Water

0.27 0.31 0.19 0.23

Table 10. Weight fraction of the components

X AcA X EtOH X EtAc X Water

0.31 0.28 0.32 0.09

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Table 11. Results from calculations

Coil Jacket
Results Results
m [kg/s] 3.536 ΔH f [W] 268321
ΔT [0C] 35.134 ΔH R [W] -240722
T out [0C] 164.886 ΔH P [W] 246276
h i [W/m2.K] 2001.1634 Q=ΔH rxn [W] 273875
h ic [W/m2.K] 10266.838 D ji [m] 1.530
h o [W/m2.K] 903.282 D io [m] 1.576
U o [W/m2.K] 818.318 T out [0C] 197.944
D’ [m] 1.1 G [kg/m2s] 538.834
Perimeter of one coil [m] 3.45 d eq [m] 0.0933
A req [m2] 3.0403 h i [W/m2K] 574.043
# of coil 6 h o [W/m2K] 921.845
H coil [m] 1 U o [W/m2K] 347.32
A req [m2] 6.36
A o,cal [m2] 9.189

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3.0 DISCUSSION

A reversible reaction is a chemical reaction that results in an equilibrium mixture

of reactants and products. For a reaction involving two reactants and two products this can be
expressed symbolically as

A and B can react to form C and D or, in the reverse reaction, C and D can react to
form A and B. This is distinct from reversible process in thermodynamics.

The concentrations of reactants and products in an equilibrium mixture are determined

by the analytical concentrations of the reagents (A and B or C and D) and the equilibrium
constant K c . The magnitude of the equilibrium constant depends on the Gibbs free
energy change for the reaction. So, when the free energy change is large (more than about 30
kJ mol-1), then the equilibrium constant is large (log K > 3) and the concentrations of the
reactants at equilibrium are very small. Such a reaction is sometimes considered to be
an irreversible reaction, although in reality small amounts of the reactants are still expected to
be present in the reacting system. A truly irreversible chemical reaction is usually achieved
when one of the products exits the reacting system, for example, as does carbon dioxide
(volatile) in the reaction. In this case, the reversible reaction is between acetic acid and ethyl
acetate, such that:

To make this endothermic reaction irreversible, the water must be removed from the
system at all times. However, in CSTR, which has a closed top, this is not possible. So the
reaction’s conversion becomes a percentage of the equilibrium reaction, which changes
between 80-90% in ideal cases. 80% of the equilibrium conversion was assumed for this
report. The reaction’s conversion depends on many factors, such as temperature, the weight
percentage of the catalyst in reaction (the catalyst in this reaction is H 2 SO 4 , with a weight
percentage of 1.91%), presence of inert in the system, purity of the components and whether
the tank is perfectly mixed. In this report, the components were taken as aqueous solutions,
with mole percentage of acetic acid being 96%, and that of ethanol’s percentage being 96.5%.
These factors also affect the reactor tank’s volume, due to the CSTR design equation. With
mole balance and CSTR design equation, the inlet and outlet molar rates were calculated, and
the inlet water of the solutions was added to the effluent water.

-8-
 Concentrations were calculated from the rate equation. The k values of the rate
equation depend on temperature and the weight percentage of the catalyst in the system. Upon
finding these k and concentration values the rate of acetic acid’s formation was calculated.
After finding the rate, the reaction volume was calculated as 2.983 m3.

The safety factor was added to the reaction volume and the tank volume was found as
3.43 m3. After finding the volume, the diameter and the height of the tank was calculated as
1.5 and 1.95 m respectively. The diameter of the agitator was calculated as 0.5 m.

To heat the coil, many options are available. One can heat the components at a
separate heat exchanger before feeding to the reactor, a jacket can be used, or a certain
number of coils can be installed in the reactor. Choosing the heating fluid is very important,
because choosing saturated steam (hence using steam generator) might cause additional
expenses. Saturated steam is used in bigger industries in order to take advantage of its heating,
and to generate electricity by means of steam turbines. Hot oil is a cheaper fluid to obtain, and
for this reason hot oil was used as heating fluid. The velocity of the hot oil affects the heating
of the reactor, as the velocity affects the Reynold’s number, the Nusselt number, and the
convection heat coefficient as a result. The pipes and pumps can be picked to obtain the
desired mass flow rate. The Nusselt number of the jacket and coils were calculated using the
Chilton-Drew-Jebend’s correlation. The wall thickness of the jacket and reactor affects heat
transfer because the mass flow rate, the heat transfer area and the temperature difference
change.

The jacket was calculated first, which can be seen in appendix. To calculate the heat
requirement for this endothermic reaction, hypothetical steps formed such that the reactor’s
temperature, which was 75°C, was virtually dropped down to 25°C; and the reaction take
place in this temperature. The products and the remaining components are then heated up to
75°C. Since the temperature of the entering and exiting components were 75°C, the only
remaining factor was ΔH rxn in energy balance equation. The formation enthalpies at 25°C
were found from references. The velocity of hot oil was assumed as 0.6 m/s, and then the
temperature difference was calculated between the entrance and the exit of the jacket as
2.05 0C. If a higher velocity had been assumed, the mass flow rate would increase, required
heat transfer area decrease and the pressure drop would change, a pump and pipe with a
bigger diameter would be needed and this would cause more expensive operations and the
temperature difference will be affected.

After finding the velocity and mass flow rate, using the correlations, h o was calculated
as 921.845 W/m2K. The viscosity, specific heat and thermal conductivity of hot oil were taken
at 200°C. With these data, h i was calculated as 574.043 W/m2K. After that U o was found as
347.32 W/m2K, and the area necessary for heating was calculated as 6.36 m2. The jacket
satisfies the reactor.

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 The same steps were followed for the coil, only that the number of coils was
additionally calculated as 6, with the coils being a certain distance such as 20 cm away from
the tank wall. Using coil for this reactor is a better option, because coil has a smaller area
which lessens the required amount of hot oil as 3.536 kg/s , therefore making the reaction
costly efficient.

In the agitation systems, we chose open turbine agitator with six-bladed impeller with
four baffles. We chose our propeller speed as 2 rps, and the motor power needed was
calculated as 4.441 kW. The safety factor and efficiency were also added for finding the
actual power.

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4.0 NOMENCLATURE

Fi : Molar flowrate of ith component [kmol/min]

X: Conversion
T: Temperature [oC]
Ci: Concentration of ith component [kmol/m3]
D T : Tank diameter [m]
H T : Height of tank [m]
N: Rotational speed [rps]
N P : Power number
E: Distance between reactor bottom and impeller [m]
D’: Diameter of one coil [m]
Po: Operating power [W]
Q: Heat taken/given from the reactor [W]
U 0 : Overall heat transfer coefficient [W/m2.K]
D ji : Inner diameter of jacket [m]
D jo : Outer diameter of jacket [m]
G: Mass flux [kg/m2.s]
Re: Reynolds number
V tank : Volume of tank [m3]
V liq : Volume of reaction mixture [m3]
d ag : Agitator diameter [m]
-r A : Rate of reaction with respect to component A [kmol/m3min]
k : Specific reaction rate
m i : Mass flowrate of ith component [kg/h]
do: Outer diameter of coil [m]
di: Inner diameter of coil [m]
hi: Convective heat transfer coefficient inner fluid [W/m2.K]
ho: Convective heat transfer coefficient outer fluid [W/m2.K]

- 11 -
Greeks

ρ: Density [kg/m3]
µ: Viscosity [Pa.s]

υi : Volumetric flowrate of ith component [m3/min]

η : Efficiency
ΔH: Enthalpy of out/ in/ reaction [W]

Subscripts
i: ith component
i: Inner
o: Outer
ag: Agitator

- 12 -
5.0 REFERENCES

1. Richard M.Felder, Ronald W.Rousseau, 2000, Elementary Principles of Chemical

Processes, 3rd Ed., John Wiley & Sons, Inc., USA.

2. Sümer Peker, Şerife Ş.Helvacı, 2003, Akışkanlar Mekaniği – Kavramlar, Problemler,

Uygulamalar, 1st Ed., Literatür Yayıncılık, İstanbul.

3. Perry’s R. H., Chilton, 2008, Chemical Engineers’ Handbook, 8th Edition, Mc Graw-
Hill Kokagusha, Tokyo.

4. Warren L. McCabe, Julian C.Smith, Peter Harriot, 1993, Unit Operations of Chemical
Engineering, 5th Ed., McGraw-Hill, Singapore

5. Incropera, P.F., DeWitt, D.P., 2007, Fundamentals of Heat and Mass Transfer, 6th Ed.,
John Wiley & Sons, Inc., Canada.

6. J.M.Smith, H.C.Van Ness, M.M.Abbott, 2005, Introduction to Chemical Engineering

Thermodynamics, 7th Ed., McGraw-Hill, Singapore

7. Octave Levenspiel, 1999, Chemical Reaction Engineering, 3rd Ed., John Wiley &
Sons, Inc.,USA.

8. Atalay, F.S., 1994, "Kinetics of the Esterification Reaction Between Ethanol and
Acetic Acid", Developments in Chemical Engineering and Mineral Processing, Vol.2,
p.181-184.

9. http://www.processglobe.com/Liquid_Specific_Heat.aspx

- 13 -
 6.0 APPENDIX

 Calculation of the Volume of the CSTR

Feed Stream Outlet Stream

T=750C T=750C

Figure 1. A typical CSTR


CH 3 COOH + C2 H 5 OH 
k1

 CH 3 CO2 C2 H 5 + H 2 O
k 2

A + B 
k1
 
 C + D
k 2

= =
Treaction 75 0
C , θ B 1.1
−3
k1 =
22.63*10 1 min , k2 1.55*10−3 m3 kmol.min Reference 8
=−rA k1 * C A0.5CB0.5 − k2 CC CD ; −rA 22.63*10−3 * C A0.5CB0.5 − 1.55*10−3 CC CD
=

Name Composition Initial Change Remaining

Acetic Acid A FA − FA * x FA FA (1 − x )
=
0 0 0

Ethanol B FB
0
− FA * x
0
FB FA (θ B − x )
=
0

Ethyl Acetate C — + FA * x FC = FA * x
0 0

Water D FD
0
+ FA * x
0
=FD FA (θ D − x )
0

ton 1 year 1 day 1h 1000 kg

FC = 21000 * * * *
year 365 day 24 h 60 min 1 ton
kg kmol
FC =
39.954 =
kg min , FC 39.954 * 0.453 kmol min
min 88.1 kg
= =
x xe *0.8 , xe 0.52 = = 0.416
; x 0.52*0.8
=FC FA=
* x ; 0.453 F=
A
*0.416 , FA 1.09 kmol min
0 0 0

FA ==
FA *0.96 ; 1.09 F=
A
*0.96 ; FA 1.135 kmol min
0 0, feed 0, feed 0, feed

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 FB
θ=
B =
1.1 0
FB= 1.09*1.1
= 1.199 kmol min
FA 0
0

FA (θ B − x ) , FB =
FB = 1.09 (1.1 − 0.416 ) ; FB =
0.745 kmol min
0

FB F=
B
*0.965 , 1.199 F=
B
*0.965 , FB 1.242 kmol min
0 0, feed 0, feed 0, feed

FH O , from AcA = FA − FA = 1.135 − 1.09= 0.0454 kmol min

2 0, feed 0

FH O , from EtOH = FB − FB = 1.242 − 1.199= 0.0435 kmol min

2 0, feed 0

FH O , feed =
FH O , from AcA + FH O , from EtOH =
0.0454 + 0.0435 ; FD =
FH O , feed =
0.0889 kmol min
2 2 2 0 2

FD =
FD + FA x ; FD =+
0.0889 1.09*0.416 ; FD =
0.542 kmol min
0 0
See in Table 7
FA (1 − x ) , FA =
FA = 1.09 (1 − 0.416 ) ; FA =
0.636 kmol min
0

FTotal = FA + FB + FC + FD , FTotal = 0.636 + 0.745 + 0.453 + 0.542 ; FTotal = 2.376 kmo min
l
FA x
=
Design Equaition of the CSTR ; V = 0
, (ν ν 0 in liquid phase )
−rA
FA FA ρA
=CA = 0
, CA 0
=
, CA Reference 7
0
ν0 0
FA * M w, A *1 ρ A 0
M w, A
0

FD 0.0889
θ B 1.1
= , θD
= = 0
= 0.0815
FA 1.09
0

3
1050 kg m
CA = ; C A 17.485 kmol m3
0
60.05 kg kmol 0

C=
A C A (1 − x=
) 17.485 (1 − 0.416 ) ; C=
A 10.211 kmol m3
0

CB C A (θ B −=
= x ) 17.485 (1.1 − 0.416 ) ; =
CB 11.959 kmol m3
0 See in Table 8
=
CC C=
A
x 17.485*0.416 ; =
CC 7.273 kmol m 3
0

CD C A (θ D +=
= x ) 17.485 ( 0.0815 + 0.416 ) ; =
CD 8.698 kmol m3
0

−rA 22.63*10−3 *10.2110.5 *11.9590.5 − 1.55*10−3 *7.273*8.698

−rA =
0.152 kmol m3 .min

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 1.09*0.416
Vliquid = ; Vliquid 2.983 m3
0.152
D
=
Assuming =
Vtank 1.15 =
Vliquid , H 1.3 D and 3
d ag
Vtank =
1.15* 2.983 ; Vtank 3.43 m3
π π See in Table 8
=Vtank = D 2 H ; 3.43 *1.3* D 3
4 4
D = 1.497 m , D  1.5 m
= =
H 1.3*1.5 ; H 1.95 m
1.5
=d ag = ; d ag 0.5 m
3 See in Table 2
E 1
= ; = = 4.5 m
E 1.5*3 Reference 4
D 3

 Calculation of Motor Power

=
Assuming =
N 120 rpm 2rps= P , η 0.9 , ( safety factor
, Pact 2= = ) 1.3
ρ mix Nd ag2 878.489* 2*0.52
=Rec = Re  1*106
µmix 4.29*10−4
From N P vs Rec figure N P is found as 7 ;
P
=NP = 7
ρ mix * N 3 * d ag5
P = ( 7 *878.489* 23 *0.55 )
See in Table 2

P = 1537.35 W
= = 3074.7 W
Pact 2*1537.35

Pact * ( safety factor ) 3074.7 *1.3

=Pmotor =
η 0.9
= =
Pmotor 4441.23 W 4.441 kW

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  Design of Jacket by Heating Process

Feed Stream Outlet Stream

Tinitial=750C Tfinal=750C

Hot oil Hot oil

Tin=2000C Tout= ?

Figure 2. A typical CSTR with Jacket

Total energy balance between reaction zone and jacket;

Q = ∆H out − ∆H in + ∆H rxn , ∆T = (75 − 75) = 0 750C

Q 750C
So; ∆H out =
∆H in =
0 ⇒ Q=
∆H rxn
∆Hˆ R ∆Hˆ P
 C + D
A + B 
0
250C ∆Hˆ f 25 C
∆H rxn = ∆H R + ∆H P + ∆H f
Figure 3. Hypotetical step of ∆Hrxn
At 25 0 C
∆Hˆ f , A =
−486180 J mol ∆Hˆ f , B =
−277630 J mol
∆Hˆ f ,C =
−463200 J mol ∆Hˆ f , D =
−285840 J mol
∆Hˆ f = ∆Hˆ f , Product − ∆Hˆ f , Reactant
J 1.09 kmol 103 mol 1 min
{[ −463200 − 285840] − [ −486180 − 277630]} mol
∆Hˆ f = *
min
* *
1 kmol 60 s
∆H f =
268.321*103 W

75 + 25
=
At TAvg = 50 0 C
2
CP , A =
2160 J kg .K CP , B 2670 J kg .K
See in Table 3
C P ,C =
2020 J kg .K CP , D 4180 J kg .K

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   J kg kmol  
 2160 *60.05 *1.09  
∆H R   kg .K kmol min  
* ( 25 − 75 ) K *
1 min
  J kg kmol   60 s
 + 2670 * 46.07 *1.199 
  kg .K kmol min 

∆H R =
−240.722 *103 W

  J kg kmol  
 2160 *60.05 *0.636 
  kg .K kmol min  
  J kg kmol 
 + 2670 * 46.07 *0.745 
  kg .K kmol min  1 min
∆H P =
  * ( 75 − 25 ) K *
 + 2020 J kg kmol   60 s
   
*88.1 *0.453
kg .K kmol min 
 
  J kg kmol  
 + 4180 *18 *0.542 
min  
  kg .K kmol

∆H P =
246.276*103 W

( −240.722 + 246.276 + 268.321) *103 =

∆H rxn = 273.875*103 W

Q = ∆H rxn = 273.875*103 W

See in Table 11

=Q m oil CP ,oil ∆T
m oil ρ m oil ρ
=m ρυ A=
, υ =
π 2
A
4
( D jo − D 2ji )

Assuming υ 0.6
= = m s , tshell 1.5*10−= 2
m and t jacket 2.3*10−2 m
D ji = 1.5 + 2*1.5*10−2
D + 2* tshell = ; D ji =
1.53 m
D jo = 1.5 + 2* 2.3*10−2 ; D j 0 =
D ji + 2* t jacket = 1.576 m

- 18 -
 At Tin = 200 0 C
CP ,oil =
2204 J kg .K , ρoil 897.6 kg m3
m oil 897.6
= 0.6 ; m oil 60.43 kg s
π
4
(1.576 − 1.53 )
2 2

=Q 60.43*= 2204* ∆T 273.875*103

∆T= 2.056 0 C ; ∆T= ( 200 − T )out Tout= 197.944 0 C

m oil 60.43
=G = = ; G 538.795 kg m 2
0.785 ( D jo − D ji ) 0.785 (1.576 − 1.53 )
2 2 2 2

See in Table 11
=d eq
D − D ) (1.576
(= 2
jo
2
ji
2
− 1.532 )
; =d eq 0.093 m
D ji 1.53

For calculation of the properties of hot oil average temperature must be used;
200 + 197.944
=TAvg = 198.972 0 C
2
At TAvg = 198.972 0 C  200 0 C
µoil =
0.73*10 −3
Pa.s , koil 0.109=
W m.K and CP ,oil 2204 J kg .K
13 0.8
hi d eq  C *µ   d eq * G 
= 0.027 *  P ,oil oil  *  
koil  koil   µoil 
13
 2204*0.73*10−3   0.093*538.795 
0.8
hi 0.093
= 0.027 *   * −3 
0.109  0.109   0.73*10 
hi = 574.482 W m 2 .K

For the calculation of h o density, viscosity, specific heat capacity and thermal conductivity
correlations were made for each component from References 3.

Density Correlation;

C
ρ= 
1
C 
for all components except water , For water ρ water =C1 + C2 T + C3 T 2 + C4 T 3
  T  4 
1+ 1−  
  C3  
 
C 2

At 75 0 C
1.4486 kmol
ρA =   0.2529 
16.4725
1+ 1−
348 
  m3
  591.95  
0.25892
kmol 60.05 kg
ρ A 16.4725
= 3
* ; ρ A 989.211 kg m3
m kmol
For other components the density correlation results are shown in Table 4.

- 19 -
 ρ mix = ρ A * x A + ρ B * xB + ρC * xC + ρ D * xD
0.636 0.745 0.453 0.542
ρ mix = 989.211* + 738.34* + 831.61* + 960.76*
2.378 2.378 2.378 2.378
ρ mix = 878.489 kg m 3

Viscosity Correlation;

 
C
µi exp  C1 + 2 + C3 *ln T + C4 * T C5 
= (i for each component , T [ K ])
 T 
At 75 0 C
 1212.3 
µ=
A exp  −9.03 + + ( −0.322 ) *ln 348 + 0*3480 
 348 
µ A = 5.93*10−4 Pa.s
For other components the viscosity correlation results are shown in Table 5.

0.27 * ( 5.93*10−4 ) + 0.31* ( 4.624*10−4 )

n

∑=
13 13
=µmix
13
xµ , µ i
13
i
13
mix
i =1

+0.19* ( 2.58*10−4 ) + 0.23* ( 3.8*10−4 )

13 13

µmix = 4.29*10−4 Pa.s

Thermal Conductivity Calculation;

kmix = x A k A + xB k B + xC kC + xD k D
kmix =0.27 *0.1714 + 0.31*0.12395 + 0.19*0.14229 + 0.23*0.16555
kmix = 0.15 W m.K

Heat Capacity Calculation;

0.636*60.05
xw, A = 0.31
0.636*60.05 + 0.745* 46.07 + 0.453*88.1 + 0.542*18
Other values are shown in Table 9
See in Table 6
CP ,mix = CP , A * xw, A + CP , B * xw, B + CP ,C * xw,C + CP , D * xw, D
CP ,mix = ( 2.28*0.31 + 2.96*0.28 + 2.12*0.32 + 4.19*0.09 ) *1000
CP ,mix = 2591.1 J kg .K

- 20 -
 0.25 23
ho D C *µ   d ag2 * N * ρ mix 
= 0.55*  P ,mix mix  * 
kmix kmix  µmix
   
23
 2 120 
0.25
 0.5 * rps *878.489 
ho *1.5  2591.1*0.000429  60
= 0.55*   * 
0.15  0.15   0.000429 
 
ho = 921.84 W m 2 .K

1 1 1 D0 1 1 1 1.576
= + , = + * Reference 5
U 0 ho hi Di U 0 921.84 574.482 1.53
U 0 = 342.32 W m 2 .K

Q= U 0 A0 ∆Tln ∆T1 = ( 200 − 75)= 125 0 C

=
∆T2 (197.944 −= 75 ) 122.944 0 C
∆Tln =
123.969 0 C
273.875*103 = 342.32* A0,req *123.969
A0,req = 6.36 m 2
A= π=
DH π *1.5*1.95 See in Table 11
0, calc

A0,calc = 9.189 m 2

A 0,calc >A 0,req So; the jacket satisfies our reactor design.

- 21 -
  Design of Coil by Heating Process

Feed Stream Outlet Stream

Tinitial=750C Tinitial=750C

Hot Oil
Tout= ?
Hot Oil
Tin=2000C

Figure 4. A typical CSTR with coil

Assume υ 3=
= m s and Tin 200 0 C
= =
di 0.0409 m , d o 0.0482 m
Reference 2
m oil ρ m oil ρ m 897.6
=υ = = = 3
π 2 π
A
4
( do )
4
0.04822

m oil = 3.536 kg s

=Q m oil CP ,oil ∆T
=Q 3.536*=
2204* ∆T 273.875*103
∆T= 35.134 0 C ; ∆T= ( 200 − T )
out Tout= 164.866 0 C
200 + 164.866
=
At TAvg = 182.433 0 C
2
koil =
0.110 W m.K , ρoil 910.248 kg m3 See in Table 1
CP ,oil =
2147.464 J kg .K , µoil 0.86*10−3 Pa.s

0.4
 CP ,oil * µoil 
0.8
hi d 0  d *υ * ρoil 
= 0.023*  i  *  
koil  µoil   koil 
0.8 0.4
hi 0.0482  0.0409*3*910.248   2147.464*0.86*10−3 
= 0.023*   *  
0.110  0.86*10−3   0.110 
hi = 2001.1634 W m 2 .K

- 22 -
  d    0.0482  
hic =+hi 1 3.5  o  =
2001.1634* 1 + 3.5  
  di    0.0409  
hic = 10266.838 W m 2 .K

13 0.62
ho D C *µ   d ag2 * N * ρ mix 
= 0.87 *  P ,mix mix  *  
kmix  kmix   µmix 
0.62
 2 120 
13
 0.5 * rps *878.489 
ho *1.5  2591.1*0.000429  60
= 0.87 *   * 
0.15  0.15   0.000429 
 
ho = 903.282 W m 2 .K

1 1 1 d0 1 1 1 0.0482
= + , = + * Reference 2
U 0 ho hic di U 0 903.282 10266.838 0.0409
U 0 = 818.318 W m 2 .K

Q= U 0 A0 ∆Tln ∆T1 = ( 200 − 75)= 125 0 C

=
∆T2 (164.866 −= 75 ) 89.866 0 C
∆Tln =
106.468 0 C
273.875*103 = 818.318* A0,req *106.468
A0,req = 3.143 m 2
We put the coils 20 cm apart from the reactor walls
D=
'
D − 2* 20*10−2 =
1.5 − 0.4 D' =
1.1 m
See in Table 1
Perimeter of one coil= P= π D=
'
π *1.1= 3.45 m
A0,calc π=
= d 0 P * n π *0.0482*3.45* n
A0,calc = 1.914* n
if A0,calc = A0,req
n = 6 coils
If the space between the coils is 6 cm, the space from bottom of reactor is 45 cm, and the
comparison of height of the tank with the height of the coil is shown below;
H coil = H bottom + d 0 * n + H SpacesBetweenCoil * ( n − 1)
H coil =( 45*10−2 ) + ( 0.0482*6 ) + ( 6*10−2 * ( 6 − 1) )
H coil =1 m < H tank =1.95 m
So; the coil satisfies our reactor design like mentioned in the discussion part.

- 23 -