REPORT TO DEPARTMENT OF CHEMICAL ENGINEERING EGE UNIVERSITY

FOR

COURSE: CHE386 CONCEPTUAL DESIGN II

CSTR DESIGN FOR ETHYL ACETATE PRODUCTION

DESIGN REPORT I

Prof. Dr. Ferhan ATALAY

SUBMITTED TO

08/03/10

SUBMISSION DATE

05070008901 Ürün ARDA

GROUP 3

05070008103 Berna KAYA 05070008849 Demet ACARGİL

05060008091 M. Serkan ACARSER 05060008017 Tayfun EVCİL

i

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 750

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 m

C.

2, mass flow as 60.434 kg/s, Tout as 197.94 0C , hi as 574.043, ho as 921.845 and U0

as 347.32 W/m2K. In coil calculations heat transfer area was found as 3.14 m2, mass flow as

3.537 kg/s, Tout as 164.866 0C, hi as 2001.16 , ho as 903.283 and U0 as 818.318 W/m2

K.

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.

ii

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

- 1 -

1.0 INTRODUCTION

Ethyl acetate (systematically, ethyl ethanoate, commonly abbreviated EtOAc or EA) is the organic compound with the formula CH3COOCH2CH3. 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: CH3CH2OH + CH3COOH ⇌ CH3COOCH2CH3 + H2

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 CH3CHO → CH3COOCH2CH

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.

- 2 -

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.

- 3 -

2.0 RESULTS

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

Coil Jacket

Assuming Data Ref. Data Assuming Data Ref. Data

υcoil 3 [m/s] k [W/mK] 0.1105 υjacket 0.6 [m/s] Cpoil 2204 [J/kg.K]

Tin [o 200 C] Cp [J/kg.K] 2147.4983 Tin [o 200 C] ρoil 897.6 [kg/m3]

do 1.9 [in] μ [Pa.s] 0.86*10 t-3 shell 1.5 [cm] koil 0.109 [W/m.K]

di 1.61 [in] ρ [kg/m3 910.2406 ] tjacket 2.3 [cm] μoil 0.73*10[Pa.s] -3

Table 2. Agitator calculation

Agitator Calculation Results

Dtank [m] Htank [m] dag [m] E [m] Re Np [from fig.] P [kW] Pact [kW] Pmotor [kW]

1.5 1.95 0.5 4.5 1*10 7 6 1.537 3.074 4.441

- 4 -

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

ΔHf -486180 [J/mol] -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

- 5 -

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

FAcA [kmol/min] FEtOH[kmol/min] FEtAc [kmol/min] FWater [kmol/min] FTOTAL[kmol/min]

0.636 0.745 0.453 0.54 2.374

- 6 -

Table 8. Concentrations of components at the exit

CAcA [kmol/m3] CEtOH[kmol/m3] CEtAc [kmol/m3] CWater [kmol/m3]

10.411 11.959 7.273 8.698

-rAcA = 0.152 kmol/m3min

Vliquid= 2.983 m3

Vtank= 3.43 m3

Table 9. Mole fraction of the components

XAcA XEtOH XEtAc XWater

0.27 0.31 0.19 0.23

Table 10. Weight fraction of the components

XAcA XEtOH XEtAc XWater

0.31 0.28 0.32 0.09

- 7 -

Table 11. Results from calculations

Coil Jacket

Results Results m [kg/s] 3.536 ΔHf 268321 [W] ΔT [0 35.134 C] ΔHR -240722 [W] Tout [0 164.886 C] ΔHP 246276 [W]

hi [W/m2 2001.1634 .K] Q=ΔHrxn 273875 [W] hic [W/m2 10266.838 .K] Dji 1.530 [m] ho [W/m2 903.282 .K] Dio 1.576 [m] Uo [W/m2 818.318 .K] Tout [0 197.944 C]

D’ [m] 1.1 G [kg/m2 538.834 s] Perimeter of one coil [m] 3.45 deq 0.0933 [m]

Areq [m2 3.0403 ] hi [W/m2 574.043 K] # of coil 6 ho [W/m2 921.845 K] Hcoil 1 [m] Uo [W/m2 347.32 K]

Areq [m2 6.36 ]

Ao,cal [m2 9.189 ]

- 8 -

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 Kc Gibbs free energy

. The magnitude of the equilibrium constant depends on the change for the reaction. So, when the free energy change is large (more than about 30

kJ mol-1

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

), 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:

2SO4

, 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.

- 9 -

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 m

.

3

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.

. 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.

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 ΔHrxn 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 0

After finding the velocity and mass flow rate, using the correlations, h

C. 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.

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, hi was calculated as 574.043 W/m2K. After that Uo was found as 347.32 W/m2K, and the area necessary for heating was calculated as 6.36 m2. The jacket satisfies the reactor.

- 10 -

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.

- 11 -

4.0 NOMENCLATURE

Fi : Molar flowrate of ith

X: Conversion

component [kmol/min]

T : Temperature [o

C

C]

i: Concentration of ith component [kmol/m3

D

]

T

H

: Tank diameter [m]

T

N: Rotational speed [rps]

: Height of tank [m]

NP

E: Distance between reactor bottom and impeller [m]

: Power number

D’

P

: Diameter of one coil [m]

o

Q : Heat taken/given from the reactor [W]

: Operating power [W]

U0: Overall heat transfer coefficient [W/m2

D

.K]

ji

D

: Inner diameter of jacket [m]

jo

G: Mass flux [kg/m

: Outer diameter of jacket [m] 2

Re: Reynolds number

.s]

Vtank : Volume of tank [m3

V

]

liq : Volume of reaction mixture [m3

d

]

ag

-r

: Agitator diameter [m]

A : Rate of reaction with respect to component A [kmol/m3

k : Specific reaction rate

min]

im : Mass flowrate of ith

d

component [kg/h]

o

d

: Outer diameter of coil [m]

i

h

: Inner diameter of coil [m]

i: Convective heat transfer coefficient inner fluid [W/m2

h

.K]

o: Convective heat transfer coefficient outer fluid [W/m2

.K]

- 12 -

Greeks

ρ : Density [kg/m3

µ

]

: Viscosity [Pa.s]

iυ : Volumetric flowrate of ith component [m3

η : Efficiency

/min]

ΔH: Enthalpy of out/ in/ reaction [W]

Subscripts

i: ith

i: Inner

component

o: Outer

ag: Agitator

- 13 -

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

- 14 -

6.0 APPENDIX

Calculation of the Volume of the CSTR

Name Composition Initial Change Remaining Acetic Acid A

0AF

0*

AF x− ( )

01A A

F F x= −

Ethanol B 0B

F 0

*A

F x− ( )0

B BAF F xθ= −

Ethyl Acetate C — 0

*A

F x+ 0

*C AF F x=

Water D 0D

F 0

*A

F x+ ( )0

D DAF F xθ= −

0 0 0

0 0,

1 1 1 100021000 * * * *365 24 60 1

39.954 , 39.954 * 0.45388.1

*0.8 , 0.52 ; 0.52*0.8 0.416

* ; 0.453 *0.416 , 1.09

*0.96 ; 1.feed

C

C C

e e

C A A A

A A

year day h kgtonFyear day h min ton

kg kmolF kg min F kmol minmin kg

x x x xF F x F F kmol min

F F

=

= = =

= = = =

= = =

=0, 0,

09 *0.96 ; 1.135feed feedA A

F F kmol min= =

Feed Stream T=750C

Outlet Stream T=750C

1

2

1

2

3 2 5 3 2 2 5 2

0

3 3 31 2

0.5 0.5 3 0.5 0.5 31 2

75 , 1.1

22.63*10 1 , 1.55*10 .

* ; 22.63*10 * 1.55*10

k

k

k

k

reaction B

A A B C D A A B C D

CH COOH C H OH CH CO C H H O

A B C D

T C

k min k m kmol min

r k C C k C C r C C C C

θ− −

− −

+ +

+ +

= =

= =

− = − − = −

Reference 8

Figure 1. A typical CSTR

- 15 -

( ) ( )

0

0

0

0

0 0, 0, 0,

2 0, 0

2

,

,

1.1 1.09*1.1 1.199

, 1.09 1.1 0.416 ; 0.745

*0.965 , 1.199 *0.965 , 1.242

1.135 1.09 0.0454feed feed feed

feed

BB B

A

B B B BA

B B B B

H O from AcA A A

H O fro

FF kmol min

F

F F x F F kmol min

F F F F kmol min

F F F kmol min

F

θ

θ

= = = =

= − = − =

= = =

= − = − =

( ) ( )

0, 0

2 2 2 0 2

0 0

0

, , , ,

1.242 1.199 0.0435

0.0454 0.0435 ; 0.0889

; 0.0889 1.09*0.416 ; 0.542

1 , 1.09 1 0.416 ; 0.

feedm EtOH B B

H O feed H O from AcA H O from EtOH D H O feed

D D DD A

A A AA

F F kmol min

F F F F F kmol min

F F F x F F kmol min

F F x F F

= − = − =

= + = + = =

= + = + =

= − = − = 636

, 0.636 0.745 0.453 0.542 ; 2.376Total A B C D Total Total

kmol min

F F F F F F F kmo lmin= + + + = + + + =

( )

( ) ( )

0

0 0

0 0 0

0

0

0

0 0

0

0

0 , ,

33

; ,

, ,* *1

0.08891.1 , 0.08151.09

1050 ; 17.48560.05

1 17.485 1 0.416 ; 10.211

A

A

A A AA A A

w A A w AA

DB D

A

A A

A AA

F xDesign Equaition of the CSTR V in liquid phase

r

F FC C C

F M M

F

F

kg mC C kmol mkg kmol

C C x C k

ν ν

ρν ρ

θ θ

= =−

= = =

= = = =

= =

= − = − =

( ) ( )

( ) ( )

0

0

0

3

3

3

3

3 0.5 0.5 3

3

17.485 1.1 0.416 ; 11.959

17.485*0.416 ; 7.273

17.485 0.0815 0.416 ; 8.698

22.63*10 *10.211 *11.959 1.55*10 *7.273*8.698

0.152 .

B B BA

C CA

D D DA

A

A

mol m

C C x C kmol m

C C x C kmol m

C C x C kmol m

rr kmol m mi

θ

θ

− −

= − = − =

= = =

= + = + =

− = −

− = n

See in Table 7

See in Table 8

Reference 7

- 16 -

3

3

2 3

1.09*0.416 ; 2.9830.152

1.15 , 1.3 3

1.15*2.983 ; 3.43

; 3.43 *1.3*4 4

1.497 , 1.5

1.3*1.5 ; 1.95

1.5 ; 0.53

1 ; 1.5*3 4.3

liquid liquid

tank liquidag

tank tank

tank

ag ag

V V m

DAssuming V V H D andd

V V m

V D H D

D m D mH H m

d d m

E ED

π π

= =

= = =

= =

= =

=

= =

= =

= = =

5 m

Calculation of Motor Power

( )

( )

2 26

4

3 5

3 5

120 2 , 2 , 0.9 , 1.3

878.489*2*0.5Re Re 1*104.29*10

7 ;

7* *

7*878.489*2 *0.5

1537.35

2*1537.35 3074.7

act

mix agc

mix

P c P

Pmix ag

act

Assuming N rpm rps P P safety factor

Nd

From N vs Re figure N is found asPNN d

P

P WP W

η

ρµ

ρ

−

= = = = =

= =

= =

=

=

= =

( )* 3074.7*1.30.9

4441.23 4.441

actmotor

motor

P safety factorP

P W kWη

= =

= =

See in Table 2

Reference 4

See in Table 8

See in Table 2

- 17 -

Design of Jacket by Heating Process

Total energy balance between reaction zone and jacket;

, (75 75) 0

; 0out in rxn

out in rxn

Q H H H TSo H H Q H= ∆ −∆ + ∆ ∆ = − =

∆ = ∆ = ⇒ = ∆

[ ] [ ]{ }

0

, ,

, ,

, ,

3

25ˆ ˆ486180 277630ˆ ˆ463200 285840ˆ ˆ ˆ

1.09 10ˆ 463200 285840 486180 277630 * *1

rxn R P f

f A f B

f C f D

f f Product f Reactant

f

A B C D

H H H H

At C

H J mol H J mol

H J mol H J mol

H H H

kmol molJHmol min kmol

+ +

∆ = ∆ + ∆ + ∆

∆ = − ∆ = −

∆ = − ∆ = −

∆ = ∆ −∆

∆ = − − − − −

3

0

, ,

, ,

1*60

268.321*10

75 25 502

2160 . 2670 .

2020 . 4180 .

f

Avg

P A P B

P C P D

mins

H W

At T C

C J kg K C J kg K

C J kg K C J kg K

∆ =

+= =

= =

= =

Hot oil Tin=2000C

Hot oil Tout= ?

Feed Stream Tinitial=750C

Outlet Stream Tfinal=750C

ˆRH∆

ˆfH∆

ˆPH∆

Q 750C 750C

250C 250C

Figure 3. Hypotetical step of ∆Hrxn

Figure 2. A typical CSTR with Jacket

See in Table 3

- 18 -

( )

3

2160 *60.05 *1.09. 1* 25 75 *

602670 *46.07 *1.199

.

240.722 *10

2160 *60.05 *0.636.

2670 *46.07 *0.7.

R

R

P

J kg kmolkg K kmol min minH K

sJ kg kmolkg K kmol min

H W

J kg kmolkg K kmol min

J kgkg K kmol

H

∆ = − +

∆ = −

+

∆ = ( )

( )

3

3 3

451* 75 25 *60

2020 *88.1 *0.453.

4180 *18 *0.542.

246.276*10

240.722 246.276 268.321 *10 273.875*10

P

rxn

kmolmin minK

sJ kg kmolkg K kmol min

J kg kmolkg K kmol min

H W

H W

Q

−

+

+

∆ =

∆ = − + + =

= ∆ 3273.875*10rxnH W=

( )

,

2 2

2 2

2

20

,

40.6 , 1.5*10 2.3*10

2* 1.5 2*1.5*10 ; 1.53

2* 1.5 2*2.3*10 ; 1.576

oil P oil

oil oil

jo ji

shell jacket

ji shell ji

jo ji jacket j

Q m C T

m mm AA D D

Assuming m s t m and t m

D D t D m

D D t D m

ρ ρρυ υ π

υ − −

−

−

= ∆

= = =−

= = =

= + = + =

= + = + =

See in Table 11

- 19 -

( )

( )

0

3,

2 2

3

0 0

200

2204 . , 897.6

897.60.6 ; 60.431.576 1.53

460.43*2204* 273.875*10

2.056 ; 200 197.944

in

P oil oil

oiloil

out out

At T CC J kg K kg m

m m kg s

Q T

T C T T T C

ρ

π

=

= =

= =−

= ∆ =

∆ = ∆ = − =

( ) ( )( ) ( )

22 2 2 2

2 2 2 2

60.43 ; 538.7950.785 0.785 1.576 1.53

1.576 1.53; 0.093

1.53

oil

jo ji

jo jieq eq

ji

mG G kg mD D

D Dd d m

D

= = =− −

− −= = =

For calculation of the properties of hot oil average temperature must be used; 0

0 0

3,

0.81 3

,

3

200 197.944 198.9722

198.972 200

0.73*10 . , 0.109 . 2204 .

**0.027* *

0.093 2204*0.73*100.027*0.109 0.10

Avg

Avg

oil oil P oil

i eq eqP oil oil

oil oil oil

i

T C

At T C C

Pa s k W m K and C J kg K

h d d GCk k

h

µ

µµ

−

−

+= =

=

= = =

=

=

1 3 0.8

3

2

0.093*538.795*9 0.73*10

574.482 .ih W m K

−

=

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

4

3

0.2529

2 311 2 3 4

1 1

2

0

33481 1591.95

3

,

751.4486 16.4725

0.25892

60.0516.4725 * ; 989.211

C waterTC

A

A A

C for all components except water For water C C T C T C T

C

At Ckmolm

kgkmolm kmol

ρ ρ

ρ

ρ ρ

+ −

+ −

= = + + +

= =

= = 3kg m

Density Correlation;

For other components the density correlation results are shown in Table 4.

See in Table 11

- 20 -

3

* * * *0.636 0.745 0.453 0.542989.211* 738.34* 831.61* 960.76*2.378 2.378 2.378 2.378

878.489

mix A A B B C C D D

mix

mix

x x x x

kg m

ρ ρ ρ ρ ρ

ρ

ρ

= + + +

= + + +

=

[ ]( )

( )

521 3 4

0

0

4

exp *ln * ,

751212.3exp 9.03 0.322 *ln 348 0*348

3485.93*10 .

Ci

A

A

CC C T C T i for each component T KT

At C

Pa s

µ

µ

µ −

= + + +

= − + + − +

=

Viscosity Correlation;

For other components the viscosity correlation results are shown in Table 5.

( ) ( )

( ) ( )

1 3 1 31 3 1 3 1 3 4 4

1

1 3 1 34 4

4

, 0.27* 5.93*10 0.31* 4.624*10

0.19* 2.58*10 0.23* 3.8*10

4.29*10 .

n

mix i i mixi

mix

x

Pa s

µ µ µ

µ

− −

=

− −

−

= = +

+ +

=

∑

0.27*0.1714 0.31*0.12395 0.19*0.14229 0.23*0.16555

0.15 .

mix A A B B C C D D

mix

mix

k x k x k x k x kkk W m K

= + + +

= + + +

=

Thermal Conductivity Calculation;

( )

,

, , , , , , , , ,

,

,

0.636*60.05 0.310.636*60.05 0.745*46.07 0.453*88.1 0.542*18

9

* * * *

2.28*0.31 2.96*0.28 2.12*0.32 4.19*0.09 *1000

2591.

w A

P mix P A w A P B w B P C w C P D w D

P mix

P mix

x

Other values are shown in TableC C x C x C x C x

C

C

= =+ + +

= + + +

= + + +

= 1 .J kg K

Heat Capacity Calculation;

See in Table 6

- 21 -

2 30.25 2,

2 320.25

2

0

0 0

* **0.55* *

1200.5 * *878.489*1.5 2591.1*0.000429 600.55* *0.15 0.15 0.000429

921.84 .

1 1 1 1 1 1,921.84 574.

ag mixP mix mixo

mix mix mix

o

o

o i i

d NCh Dk k

rpsh

h W m K

DU h h D U

ρµµ

=

=

=

= + = +

( )( )

20

00 0 ln 1

02

0ln

30,

20,

0,

20,

1.576*482 1.53

342.32 .

200 75 125

197.944 75 122.944

123.969

273.875*10 342.32* *123.969

6.36

*1.5*1.95

9.189

req

req

calc

calc

U W m K

Q U A T T C

T C

T CA

A m

A DH

A m

π π

=

= ∆ ∆ = − =

∆ = − =

∆ =

=

=

= =

=

A0,calc >A0,req

So; the jacket satisfies our reactor design.

Reference 5

See in Table 11

- 22 -

Design of Coil by Heating Process

( )

( )

0

2 2

,

3

0 0

3 200

0.0409 , 0.0482

897.6 30.0482

4 43.536

3.536*2204* 273.875*10

35.134 ; 200 164.866

200 164.866 1822

in

i o

oil oil

o

oil

oil P oil

out out

Avg

Assume m s and T C

d m d mm m m

A d

m kg s

Q m C T

Q T

T C T T T C

At T

υ

ρ ρυ π π

= =

= =

= = = =

=

= ∆

= ∆ =

∆ = ∆ = − =

+= =

0

3

3,

0.40.8,0

0.8

3

.433

0.110 . , 910.248

2147.464 . , 0.86*10 .

** *0.023* *

0.0482 2147.0.0409*3*910.2480.023* *0.110 0.86*10

oil oil

P oil oil

P oil oili i oil

oil oil oil

i

C

k W m K kg m

C J kg K Pa s

Ch d dk k

h

ρ

µ

µυ ρµ

−

−

= =

= =

=

=

0.43

2

464*0.86*100.110

2001.1634 .ih W m K

−

=

Feed Stream Tinitial=750C

Outlet Stream Tinitial=750C

Hot Oil Tin=2000C

Hot Oil Tout= ?

Figure 4. A typical CSTR with coil

Reference 2

See in Table 1

- 23 -

2

0.04821 3.5 2001.1634* 1 3.50.0409

10266.838 .

oic i

i

ic

dh hd

h W m K

= + = + =

0.621 3 2,

0.6221 3

2

0

0 0

* **0.87* *

1200.5 * *878.489*1.5 2591.1*0.000429 600.87* *0.15 0.15 0.000429

903.282 .

1 1 1 1 1 1,903.282 1

ag mixP mix mixo

mix mix mix

o

o

o ic i

d NCh Dk k

rpsh

h W m K

dU h h d U

ρµµ

=

=

=

= + = +

( )( )

20

00 0 ln 1

02

0ln

30,

20,

'

0.0482*0266.838 0.0409

818.318 .

200 75 125

164.866 75 89.866

106.468

273.875*10 818.318* *106.468

3.143

20

2*20*10

req

req

U W m K

Q U A T T C

T C

T CA

A m

We put the coils cm apart from the reactor wallsD D

=

= ∆ ∆ = − =

∆ = − =

∆ =

=

=

= − 2 '

'

0, 0

0,

0, 0,

1.5 0.4 1.1

*1.1 3.45

* *0.0482*3.45*

1.914*

6

calc

calc

calc req

D mPerimeter of one coil P D mA d P n n

A n

if A A

n coils

π π

π π

− = − =

= = = =

= =

=

=

=

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;

( )( ) ( ) ( )( )

0

2 2

* * 1

45*10 0.0482*6 6*10 * 6 1

1 1.95

coil bottom SpacesBetweenCoil

coil

coil tank

H H d n H n

H

H m H m

− −

= + + −

= + + −

= < =

So; the coil satisfies our reactor design like mentioned in the discussion part.

Reference 2

See in Table 1