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Pre-Polynerization Reactor Design in PET Production from P-Xylene

Technical Report · July 2010

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PRODUCTION OF
POLYETHYLENE
Pre-polymerization
TEREPHTALATE Reactor Deign

By: Reda Zein

2010
Contents
LIST OF FIGURES:- ..................................................................................................................... iii
LIST OF TABLES:- ...................................................................................................................... iii
Abstract .......................................................................................................................................... iv
1. Introduction:- .......................................................................................................................... 1
2. Design Data collection:- ......................................................................................................... 2
2.1. Physical properties correlations:-.................................................................................... 2
3. Polycondensation catalysis:- ................................................................................................... 3
4. Polycondensation kinetics:- .................................................................................................... 4
5. Reactor model equations:- ...................................................................................................... 5
5.1. Reactor sizing:- ............................................................................................................... 5
5.1.1. Material balance equations:- ..................................................................................... 5
5.1.2. Energy balance equations:- ....................................................................................... 7
5.1.3. Mixer design:- ........................................................................................................... 8
5.1.4. Heat transfer calculations:- ....................................................................................... 9
6. Mechanical Design:- ............................................................................................................. 11
6.1. Material of construction:- ............................................................................................. 11
6.2. Design aspects:- ............................................................................................................ 12
7. Economic Study:-................................................................................................................... 25
7.1. Cost Estimation of the reactor:- ......................................................................................... 25
7.2. Integrated economic study of the factory:- ........................................................................ 26
7.2.1. Estimation of Purchased Cost of Equipment (PCE):- ................................................. 26
7.2.2. Estimation of Total Capital Investment ...................................................................... 29
7.2.3. Estimation of Net Profit/Year and Payback Time:- .................................................... 29
Conclusion: ................................................................................................................................... 31
References:- .................................................................................................................................. 32

ii
LIST OF FIGURES:-
Figure 1): Degree of polymerization of PET obtained by polycondensation of BHET at 260 and
270 using TBT catalyst vs polycondensation time. ........................................................................ 6
Figure 2: Approximate temperature profile to heating system. .................................................... 10

LIST OF TABLES:-
Table ( 1): Correlation of specific heat of PET liquid using Ru`zicka and Domalski. ................... 2
Table ( 2): Correlation of specific heat of BHET liquid using Ru`zicka and Domalski. ............... 2
Table (3): Correlation of heat of formation of PET using Hearing method. .................................. 3
Table (4): Material balance on the reactor. ..................................................................................... 6
Table ( 5): Specific heat of different components as a function of temperature. ............................ 7
Table (6) : Total capital investment calculation for reactor. ......................................................... 25
Table (7): Purchased Cost of Equipment for TPA production (Eastman). ................................... 26
Table (7contd.): Purchased Cost of Equipment for TPA production (Eastman)………………...27

Table (8): Purchased Cost of Equipment for Intermediate PET production (CTIEI)……………27

Table (9): Purchased Cost of Equipment for Product PET production (Buhler)………………...28
Table (10): Fixed and Working Capital Investment……………………………………………………….29
Table (11): Cost of Raw Materials and Products…………………………………………….. 29
Table (12): Price and Cost of Utilities…………………………………………………………...30
Table (13): Calculation of Net Profit/year and Payback time……………………………………30
Table (13 contd.): Calculation of Net Profit/year and Payback time………………………….…30

iii
Abstract
Production of polyethylene terephthalate (PET) has one of the fastest growing rates among
thermoplastics during the last decades. PET has been produced mostly via direct esterification of
terephthalic acid and ethylene glycol for a couple of decades. In the first step, esterification of
terephthalic acid and ethylene glycol under goes reaction producing bis-hydroxy ethyl
terephthalate (BHET) as the main monomer for polycondensation. Regarding a reversible
reaction, water, as side product has to be extracted in order to perform reaction up to high
conversions. In the second step, that is called polycondensation, oligomers and polymer chains
undergo reaction to produce long polymer. The byproduct of polycondensation is ethylene
glycol, which should be removed in order to increase the rate of polycondensation and chain
length to produce relatively high molecular weight polymer.
This report will include the detailed design of the prepolymerization reactor in which poly
condensation reaction is performed to obtain a polymer of relatively low molecular weight
starting from BHET as a monomer where estimation of reactor dimensions, mechanical design
and finally its estimated cost will be included.

iv
 1. Introduction:-
Reactor is the heart of chemical process industries, where every chemical process industry
consists of equipment that prepare the reactor feed to be ready for the reactions. And equipment
finish the reactor effluent to make it ready to be marketed. All of this equipment useless if there
is no reactor.

In a PET production plant one of the most important reactors that its design affects greatly the
quality of the polymer produced is the polymerization reactor (usually from 2-3 reactors exist).
The design of prepolycondensation reactors (the first polymerization reactor in our proposed
process) or any other polymerization reactor meets three special requirements, i.e. (1) a large
surface area for mass transfer and respectively short diffusion lengths for the low-molecular-
weight by-product, (2) a sufficient heat transfer area, and (3) a design assuring low gas
velocities.
To meet such requirements usually stirred reactors are used mainly for prepolymerization step.
While a horizontal disc ring reactors to reach high degree of polymerization are used. In stirred-
tank reactors, heating coils or jacket are used for heat transfer. The diameter of the
prepolycondensation reactors often increases in the upper part. The ratio between diameter and
height of the prepolycondensation reactor is sometimes unusually large, thus providing a large
gas–liquid interface and so decreasing the gas velocity of the evaporating EG and to prevent
entrainment.
The present report will discuss the detailed design first polymerization reactor (prepolymerizer)
in PET production plant using CTIEI Process starting from the kinetics of the reaction and
reactions involved and catalyst used passing by the reactor sizing, determination of agitator type
and power and and design of heating jacket and coil and finally its detailed mechanical design.

1
2. Design Data collection:-
During collection of design data some physical properties was not available such as heat of
formation of PET polymer and other properties. Hence, correlations for such properties are used.

2.1. Physical properties correlations:-

Correlations for heat of formation, specific heat, liquid thermal conductivity, critical temperature
and boiling point are used. Shown below some of these calculations in tables 1, 2, 3.

Table ( 1): Correlation of specific heat of PET liquid using Ru`zicka and Domalski.

specific heat of PET (average degree of poly. =30)

Group contributions:
Group ni Ai bi Di
Cb(H) 120 2.2609 -0.25 0.12592
Cb/(CO) 60 12.151 -1.6705 -0.1276
C–/(2H,C,O) 62 1.4596 1.4657 -0.2714
O/(H,C) (diol) 2 5.2302 -1.5124 0.54075
Sum 1101.32 -42.3814 -8.2897
A B C
9156.4 -3.523589596 -0.0069
cpl ,j/mol.oK = 9156.4-305236T-0.0069T^2
Table ( 2): Correlation of specific heat of BHET liquid using Ru`zicka and Domalski.

specific heat of BHET

Group contributions:
Group ni Ai bi di
Cb(H) 4 2.2609 -0.25 0.12592
Cb/(CO) 2 12.151 -1.6705 -0.1276
C–(2H,C,O) 4 1.4596 1.4657 -0.2714
O(H,C) (diol) 2 5.2302 -1.5124 0.54075
Sum 49.6444 -1.503 0.24442
A B C
412.744 -0.12495942 0.0002

2
 cpl ,j/mol.oK = 412.744-0.125T+0.0002T^2
Table (3): Correlation of heat of formation of PET using Hearing method.

ΔHf of PET (average degree of poly. =30)

Group contributions: Liquid solid
Group ni (ΔHf o)i (ΔHf o)i
Cb/(2Cb,H) 120 8.16 6.53
Cb/(C,2Cb) 60 19.16 13.9
CO/(O,Cb) 60 -140 -145
O/(2C) 60 -110.83 -119
C/(2H,O,C) 62 -35.8 -33
O/(H)(C) 2 -191.5 -199.66
ΔHf o ,kj/mol -15524 -16667.72

3. Polycondensation catalysis:-
Antimony (Sb) in different forms, mainly oxide and acetate (e.g.: antimony trioxide, antimony
triacetate) is used to catalyze polycondesation in most of PET plants. A few manufacturers use
germanium oxide, but it is not as effective as antimony compounds. Another catalyst is also used
(at which kinetics founded) is titanium tetrabutoxide catalyst. Many people studied the
mechanism of polycondensation reactions and concluded that the reaction proceeds by the
nucleophilic attack of hydroxyl end groups, upon the ester carbonyl groups. The
polycondensation catalysts facilitate the coordination of metal ion to the ester carbonyl bond
which increases the polarity of this bond and facilitates the nucleophilic attack. In the initial
stages of polycondensation, antimony compounds readily form stable compounds with ligands
containing hydroxyl groups and cannot react with carbonyl groups of esters. Therefore, the
catalytic activity of antimony compounds is less at high concentration of hydroxyl end groups
observed in the initial stages of polycondensation. As the polycondensation reaction progresses,
the concentration of hydroxyl end groups decreases and the coordination of the carbonyl groups
to antimony catalyst becomes possible. Therefore, the activity of the antimony catalysts increases
as the polycondensation reaction proceeds. [4]

3
A stabilizer (phosphorous-based stabilizer e.g. (C6H5O)3PO)) is also used to prevent side reactions
which may occur through the whole process. It is preferable to use 200-400 ppm (from the
esterification feed) of the catalyst and also 50-200 ppm of the stabilizer.

4. Polycondensation kinetics:-
The main polycondensation reaction as mentioned previously is a reversible reaction and the
condensation product EG has to be removed to obtain the desired molecular weight. The kinetics
of polycondensation reaction was studied by many investigators. However, the activation
energies and the rate constants obtained by various investigators are not in agreement. The
difficulties in the analysis arise due to the presence of a number of complications. Firstly,
diffusional limitations on account of desorbing volatile species (which are products of the
reaction) come in after a DP of about 30 is reached. The melt viscosity increases with the
progress of the polycondensation reaction. Lastly, a number of side reactions accompanying the
main polycondensation reaction complicate the analysis and the accurate determination of rate
constants.
So due to such complications some assumptions are to be taken in order to get rate equation to be
used:-
1) EG removal by the application of high vacuum system decreases the side reactions and
due to that fact such reactions will not be included in the kinetics. Also etherification of
EG to form DEG which is an important side reaction but it was founded that most of
DEG is already formed during the esterification stage so it is not included here.
2) Step by step removal of by product by vacuum application shifts the polycondenation
reaction towards the forward direction and hence, the reaction could be considered as
irreversible reaction.
3) According to Flory’s theory (equal reactivity of functional groups) catalyzed
polycondensation reaction could be considered as a second order reaction.

Reactions and rate equation are shown below:-

reaction:-

4
Rate equation :-
RBHET=k*[BHET]^2 gmole/kg.min

Most of polymerization reactions are exothermic reactions and the exothermicity of chain growth
polymeization is higher than that of step gowth polymerization(mildly exothermic)
ΔHr (at 275oC)=-79.522 KJ/mol

5. Reactor model equations:-

As previously mentioned the reactor to be used in the prepolymerization step is a CSTR reactor.
The reason for such a choice is that CSTR model gives homogeneity in both temperature and
concentration and this is required to prevent hot spots formation that may cause run away.
Although the reaction is exothermic the reactor will be provided with coil for heating and also a
jacket. The reason for this is that as mentioned the reaction is slightly exothermic and to vaporize
volatile species additional source of heat is required.

Equations that describe the system are material balance and energy balance and they will be
discussed in the next section.

5.1. Reactor sizing:-

5.1.1. Material balance equations:-

In=out + Σ r

This equation is applied for each component beside knowledge of all the feed stream and
conversion to get the outlet streams from the reactor. Here conversion is not clearly defined but

5
instead the average degree of polymerization is defined (about 20-40) so we have to use it to get
the conversion.

Average degree of polymerization (Dp av ) = 1/ (1-conversion)

For Dp av=30

Conversion = 97%

In table (4) results of material balance on the reactor are viewed.

Table (4): Material balance on the reactor.

Volumetric flow rate (m3/hr) 36.2862 27.3276 271535.9169

feed liq.out
Molar flow vap.out kmole/hr
,kmole/hr kmole/hr
BHET 160.13 4.80 0.00
W 2.37 0.00 2.37
TPA 8.49 8.49 0.00
EG 2.07 0.00 152.21
PET 0.00 5.18 0.00
DEG 4.43 0.00 4.43
Catalyst 0.0446 0.0446 0.0000
Stabilizer 0.0155 0.0155 0.0000
The reactor volume is determined by knowledge of both the residence time and the volumetric
flow rate. Residence time is known from ranges given in literature and figure (1) gives such
ranges as a function of degree of polymerization.

250 270oC
Pn Degree of polymerization

200 Figure (1): Degree of polymerization of

PET obtained by polycondensation of
260oC BHET at 260 and 270°C using TBT
150
catalyst vs polycondensation time.
100

50

0
0 20 40 60 80 100 120 140
t, min

6
According to this graph at 275oC and 20-40 degree of polymerization reactor residence time
could be taken as 0.5 hr and hence, reactor volume could be obtained.

D= 2.35 m H=2D= 4.7 m

The upper part of the reactor (vapor section) could be designed as a vertical separator.

 max =(0.107/2)*((l-v)/v)^(1/2)= (0.107/2)*((1200-0.0366)/0.0366)^0.5=9.86m/s

Take =0.75*max =7.26m/s

A=q/= (271535.9169/(7.26*3600))=10.39m2

By taking H=D D=H=3.65m

5.1.2. Energy balance equations:-

Reactor model is non isothermal CSTR so energy balance must be performed. In order to
calculate the amount of heat required to be supplied to reactor to be able to design coil or jacket.

Σnif Tr∫TfCpidT + Q = ΣniTr∫TCpidT + VrΔHR

Table ( 5): Specific heat of different components as a function of temperature.

specific heat ,J/mol.oK

Constants A B C D F
BHET 4.1274E+02 -1.2496E-01 2.0321E-04 0.0000E+00
w (vap.) 3.2243E+01 1.9238E-03 1.0555E-05 -3.5960E-09
TPA 3.6420E+02 -6.1239E-01 1.1058E-03 0.0000E+00
EG (vap.) 3.5697E+01 2.4832E-01 -1.4970E-04 3.0103E-08
EG (liq.) 3.5540E+01 4.3678E-01 -1.8486E-04 0.0000E+00
PET 9.1564E+03 -3.5236E+00 -6.8921E-03 0.0000E+00
DEG (liq.) 5.1342E+02 -6.5190E-01 -6.0000E-05 9.0000E-07
DEG (vap.) 7.3060E+01 3.4441E-01 1.4680E-04 1.8464E-08
w (liq.) 2.7637E+02 -2.0901E+00 8.1250E-03 -1.4116E-05 9.3701E-09
By using table (4) ,(5) and by knowing that T =275 C, Tf =260 C, Tr =25oC the following could
o o

be calculated:-

Σnif Tr∫TfCpidT= 1.63E+07 kJ/hr

7
Σni Tr∫TCpidT = 2.43E+07 kJ/hr

VrΔHR= -7140852.32 KJ/hr

Q= 3.92E+05 KJ/hr (heating load)

5.1.3. Mixer design:-

Agitation here is provided to increase heat transfer between jacket or coil and the reaction
mixture. As viscosity of the reaction mixture is about 5 Pa.s (5000cp) so we have to use anchor
agitator. Also as the viscosity greater than about 2.5 Pa.s, baffles are not needed since little
swirling is present.

As mentioned before liquid depth double the vessel diameter (in the lower part of the reactor)
.Hence, we need two impellers mounted on the same shaft, each of which act as a separate mixer.
Also here there is a special case here where instead of taking the agitator dimensions as a ratio
tank (reactor vessel) diameter take it from inner coil bundle diameter. So we have to work in
parallel in agitator design and heat transfer system design.

N=70 rpm (n=1.17rps)

From heat transfer calculations that will be mentioned below:

Dinner) coil bundle=2.2m

For each mixer:-

Da(agitator diameter) =(1/1.04)*Dicoil= 2.12m

n  Da2  
Re   1252.96


h (clearance from vessel bottom)=0.01*Da=0.02m

b (height of agitator rack)=Da=2.12m

d (width of impeller rack)=0.1*Da=0.21m

With Reynolds number and from chart: Np=power number=1.1

8
Power  N p    N 3  D 5  88789.38J/sec
Power) one agitator  119.02hp
power) two agitators  P) one *1.5  178.53hp

5.1.4. Heat transfer calculations:-

As mentioned before in energy balance, although the polycondensation reaction is exothermic
the system needs heat to be added to it. And this is due to that, Firstly the step growth
polymerization is a slightly exothermic reaction and secondly by product formed is vapor at
reactor conditions.

To add the required heat to the reactor a heating system has to be designed. First thing to think in
is what the heating medium to be used is. And whether the system will coil or jacket. All this
questions and their answers will be discussed below.

5.1.4.1. Heating medium:-

High temperature heat transfer fluids are used in process applications where their optimum bulk
fluid operating temperatures of 150°Cto400°C are safer and more efficient than steam, electrical,
or direct fire heating methods. So we can use one of these fluids in the present reactor
(temperature about 275oC).

DOWTHERM A heat transfer fluid is an eutectic mixture of two very stable organic
compounds, biphenyl (C12H10) and biphenyl oxide (C12H10O).These compounds have practically
the same vapor pressures, so the mixture can be handled as if it were a single compound.
DOWTHERM A fluid may be used in systems employing either liquid phase or vapor phase
heating. Its normal application range is 15°C to 400°C, and its pressure range is from
atmospheric to 152.5 psig (10.6 bar). Such a fluid offers superior heat transfer efficiency and
stability at elevated temperatures.

5.1.4.2. Heating jacket:-

A jacketed vessel wall is sufficient to supply or remove relatively small quantities of heat. For
such a reason and as the reactor heat load is high use of jacket for heating is not a good choice.
Also calculations proved that in the present reactor where only about 12.38% of heat required to
be added could be supplied by jacket (half pipe jacket).

9
5.1.4.3. Heating coil:-
To transfer larger quantities of heat, the installation of coils is 355oC
necessary. Moreover, the type of agitation affects the coils
configuration. Where helical coil is only efficient with axially 295oC

working stirrers, since they produce good liquid circulation in the 275oC
275oC
annular space between the helical coil and the wall, while the liquid
circulation produced by radially working stirrers are strongly Figure 2: Approximate temperature profile to
heating system.
deflected by a helical coil, so that the flow through the annulus
between the coil and wall is suppressed. For such stirrer types, it is advantageous to arrange the
coil in vertical loops along the vessel wall (meander coil). This arrangement does not deflect the
radial flow pattern, but prevents bulk rotation of the liquid.

5.1.4.3.1. Coil design:-

Q=3.92E+05KJ/hr

Tin reactor=275oC

Tidowtherm=355oC Todowtherm=295oC

Δtm=14.65436oC

vessel side (agitated vessel) jacket side (half pipe jacket)

Cpmix=4.3667 kJ/kg.oK Cp= 2.527 kJ/kg.oK
=1200kg/m3 = 742.3kg/m3
=5000cp =0.16cp
Kf=0.08W/m.oK Kf=0.0851 W/m.oK
To calculate heat transfer area required overall heat transfer coefficient needed to be calculated.
In the case of viscous media, it is usually considered that (U hi). Where hi is the heat transfer
coefficient in the agitated vessel side, which affected by stirring.
n  Da2  
Re   1252.96

For Re=10^2-10^6
2 1
Nu  0.76  Re 3  Pr 3

c p
Pr   272918.8
k

10
 hi  Dv
Nu   5729.489
k

hi  195.0464W/m2.oK  U

Q  U  A  t m

A=137.1024m2

Coil dimensions :-( coil used is called double meander coil)

The recommended ratio of vessel diameter to pipe diameter should be about 30.

d) Each pipe=4"

Take Lcoil=4.23m=166.54"

A=n    dpipe  Lcoil

npipes=102pipe

Volume occupied by coil pipes=3.49788m3

Final vessel volume=23.88m3

The final vessel diameter D=2.5m

H=5m

D inner coil bundle=2.2m

D outer coil bundle=2.42m

Flow rate required from dowtherm =Q/(cp*(Ti-To)= 2584.600807kg/hr

6. Mechanical Design:-
6.1. Material of construction:-
As the PET produced will ultimately be used in uses such as it can be formed into either bottles
or containers. These are used for the packaging of drinkable and edible products such as soft
drinks, water, juice, baby food and oil. Stainless steel 304L (where L tends to low carbon alloy
and this is good for weldability) is suitable as a material of construction. Where this type of

11
stainless steel is preferred in industries that do not require contaminations in the products, as the
surface of st.st304 is polished (called mirror polished). Also it works for the range of temperature
of 275oC. Stainless steel 304L contains 18% Cr + 8% Ni +smaller than 0.05% C.

6.2. Design aspects:-

Design according to ASME code.

Reactor will built out of doors in Suez.

Pin=0.0263 atma=-14.3132 psig

Pout=1atma=0 psig

Pact=Pout-Pin==0.974 atmg =14.3132 psig

Pcgiven=4*Pact= 3.896 atmg=57.253 psig

Corrosion allowance=1/16"

Welding efficiency=E=0.8

st.st. =0.2884 lb/in3

Insulation used: Glass wool

ins=0.002307lb/in3

tins =3"

all= 85000Psi

yp =35000psi

allst.st comp= yp/3= 11666.7psi

Modulus of elasticity (E’) =28*106psi

Design of shell under external pressure:-

Upper part:-

12
Dish1= 3.65 m = 143.7"

Lsh1= 3.65 m = 143.7"

Assume tshell=4/16"

Dish/tsh=3.65/0.00635=574.803 & l/Dish=3.65/3.65=1

From chart K=70

3 3
 tsh   
Pc calculated   10..32Psi  Pc given
1
 K  E '   70  28  10  
6

 Dish   574.803 

After some trials: tshell=9/16"

Dish/tsh=3.65/0.0142875=255.468 & l/Dish=3.65/3.65=1

From chart K=39

3 3
 tsh   
Pc calculated   65.496Psi  Pc given
1
 K  E '   39  28  10  
6

 Dish   255.468

So the thickness of the upper part tshell=10/16"

Lower part:-

Dish2=2.5m= 98.42519685"

Lsh2=8.65m=340.551181"

Assume tshell=3/16"

Dish/tsh=2.5/ 0.0047625= 524.934 & l/Dish=8.65/2.5=3.64

From chart K=13

3 3
 tsh   
Pc calculated   2.516Psi  Pc given
1
 K  E '   13  28  10  
6

 Dish   524.934 

After some trials: tshell=10/16"

13
Dish/tsh=2.5/ 0.015875= 157.48 & l/Dish=8.65/2.5=3.64

From chart K=8

3 3
 tsh   1 
Pc calculated  K  E '   8  28  10  
6
  57.355Psi  Pc given
 Dish   157.48 

The thickness of lower part =11/16" (big)

So stiffening ring must be used, assume two rings

So l=L/3=2.8833m

Afer some trials tshell=7/16"

Dish/tsh=2.5/0.011113=224.97 & l/Dish=2.8833/2.5=1.153

From chart K=24

3 3
 tsh   1 
Pc calculated  K  E '   24  28  10  
6
  59..018Psi  Pc given
 Dish   224.97 

Hence, the thickness in the lower part tshell=8/16"

So two stiffening ring is suitable.

Design of Stiffening rings:

b 4 Pc ) given  Dosh  l
3

I 
12 24  E '

& Dosh=Dish+2*tsh=98.42519685"+2*8/16"=99.42519685"

l=2.8833 m=113.517"

b4
So I   9.51
12

b=3.26"

So Ring dimensions are 3.268"x3.268"

14
Design of heads:

Upper head (dished head):-

2
 t 
Pc ) given  1.2  E ' h 
 Dish 
2
 t 
57.2526  1.2  28  106   h 
 143.7 
"
1 " 4.0013
t h  0.1876"  
16 16

5
 Taketh 
16

So a welding bridge must be used to be able to be welded

Length of welding bridge=5*(tsh-th)=5*(10/16-5/16)=1.5625"

Bottom head (dished head):-

2
 t 
Pc ) given  1.2  E ' h 
 Dish 
2
 th 
57.2526  1.2  28  10   6

 98.42519685 
"
1 " 3.056
t h  0.1285"  
16 16

4
 Taketh 
16

Also a welding bridge must be used to be able to be welded

Length of welding bridge=5*(tsh-th)=5*(8/16-4/16)=1.25"

Design of intermediate head:-

D1=3.65m

D2=2.5m

15
L=0.5(1+ (D2/D1))=0.5(1+ (2.5/3.65))=0.8425m

22.5o<< 60o

=tan-1((D1-D2)/L) =53.776o which is within the range

th= t*cos()=7/16"

Design of coil:-

Pin=1.5bar= 21.76702863psi= 7.06702863psig

Pout=0.0266bar= 0.386842105psi=-14.31315789psig

Pmax= 7.06702863psig

Pd=1.1*Pmax= 7.77373149psig

dipipe=4in

Pd  Rish
t pipe  C 
( all  E )  (0.6  Pd )

tpipe =0.0063  Take it equal (3/16  )

Design of neck (openings):-

3
 t op 
Pccalculated  K  E' 

 Diop 

- Inlet opening

l neck  50 cm  19.685"
D ineck  0.08 m  3.154"
l 50
  6.24
D iop 0.08

2
assume t 
16

16
 D
 25.23
t
K  2.15
3
 1 
 Pc  2.15  28  10    3748.26Psi  57.25
6

 25.23 
2 " 1" 3 "
Take t neck   
16 8 16

- Outlet liquid opening

l neck  50 cm  19.685"
D ineck  0.07m  2.74"
l 50
  7.19
D iop 0.07

2
assume t 
16
D
 21.895
t
K  2.1
3
 1 
 Pc  2.1  28  10  6
  5601.71Psi  57.25
 21.895 
2 " 1" 3 "
Take t neck   
16 8 16

As the diameter is small this opening does not need reinforcement ring.

- Outlet vapor opening

l neck  50 cm  19.685"
D ineck  1.2m  47.85"
l 50
  0.41
D iop 1.2

3
assume t
16

17
D
 255.23
t
K  68
3
 1 
 Pc  68  28  10  6
  114.517Psi  57.25
 255.23 
3 " 1" 4 "
Take t neck   
16 8 16

- Manhole

l neck  50 cm  19.685"
D ineck  0.6m  23.62"
l 50
  0.83
D iop 0.6

3
assume t 
16
D
 188.97
t
K  50
3
 1 
 Pc  50  28  106    207.446Psi  57.25
 188.97 
2 " 1" 3 "
Take t neck   
16 8 16

Design of reinforcement ring:-

t 1 D 0 neck  t 2 t 3  t 1 t 2  t 32  t 3 (D p  D 0neck )

- For inlet opening

t 1  t sh  8/16"

t 2  t neck  3 / 16"

 t 3  t ring  1"

18
 D0 neck  Dineck  2  t 2  3.53"
Dp  diameter of ring  4.0119"
Dp  0.1019m

- For outlet vapor opening

t 1  t sh  5/16"

t 2  t neck  4 / 16"

 t3  tring  1"

D0 neck  Dineck  2  t 2  48.36"

Dp  diameter of ring  62.14"
Dp  1.58m

- Manhole

t 1  t sh  10/16"

t 2  t neck  3 / 16"

 t3  tring  1"

D0 neck  Dineck  2  t 2  23.997"

Dp  diameter of ring  37.69"
Dp  0.96m

Design of other parts of manhole:-

- Gasket

Dig=Dif=Diop=23.622 

The suitable gasket material for reactor operating conditions is asbestos.

Gasket factor =m=2.75

Setting pressure=y=3700

19
 y  (m  Pmax )
Dog  Dig 
y  ((m  1)  P max)

Pmax=Pact=14.31psi

Dog =23.67"

D og  Dig 1
width of gasket(b) =  "
2 8

b=0.0231"

D og  Dig
D mean gasket =  23.645"
2

- Design of bolts

allbolt=12000psi

Select dinbolt=0.5"

We have external pressure so we need to calculate setting load Q”

b
Q"    dmg   y  Qmax  3182.467
2

Qmax
n bolts   1.764

 (d inb  C ) 2   allbolt
4

Take n bolts=4bolts


Q act  nboltsact   (d inb  C ) 2   allbolt  7215.63
4

- Design of flange

Dif=23.622"

6  Qact  L
tf  C
  D f   all

20
 Ds  D f h'
2.4  Q act  (  )
h'  2 2 x
  ( D f  h' )   all

Ds  D f
L DS  Dif  4"
Df=Dif+2h’ 2

Ds=bolt circle diameter=27.622"

Assume h’=1"

Use this assumed to calculate h’ from equation x

h’)calc=0.063"

calculated h’ smaller than assumed so the assumed is safe

h’ =1"

Df =25.622"

L=1"

tf =0.142"

- Design of flat cover

0.162  Pact
t fc  Diop   C  0.186"
 all

Check on vessel thickness (lower part):-

Wind stresses:-

Dosh  Dish  2  tsh  99.42519685"

Dosh  Dish
Dmsh   98.92519685"
2

21
 Take Pw  0.2 7Ib/in2
K  shape factor to transfer area facing wind from rectangular to circular  0.7
D o ins  D osh  2  t ins  105.4251969"
Dish  D osh  99.42519685"

Pw K D 0 ins (x 2 /2)
σw 
π 4  (D msh ) 2 (t sh  C)E
σ w  0.003703542X 2 psi

Longitudinal stresses:-

Pact  Dmsh 14.3132 98.92519685

σ1   1011.379973 psi
4(tsh  C)E 8 1
4  (  )  0.8
16 16

Dead load stresses:-

Wt shell 
π
4
  π
 
 D osh  D ish  ρ  X   99.4252  98.4252  0.2884  X  44.8135X lb
2 2

4
π 
Wt head
4 5
  ρ h  ((D ish 1  t h1 )  (D ish 2  t h2 ))   0.2884 * ((98.4252 * )  (143.7 2 * ))  4020.4lb
2 2

2 2 16 16
 
Wt liq   D ish   liq  x   98.4252  0.0433 X  329.151Xlb
2

4 4
no of rings 2
Wt) ring   b  h  π  D ish  ρ  X   3.268  3.268  π  98.425 0.2884  X  5.09685X lb
L 9.4925
 
Wt) coil  h.m  N pipes  ((  d icoilpipe
2
 L pipe   h.m )  (  (d ocp
2
 d icp
2
)  L pipe   st .st ))  18699.3lb
4 4
π
4
 2 2

Wt insulation   D oins  D iins  ρ ins  X  2.38545X lb l

Σwt  381.447 X  22719.72

1.1 Σwt
σd   229.7648376  3.857574221X
π  D msh  t sh  CE

Check on max stress:-

- In case of operation:

22
 yp
σ t ) max  σ w  σ1  σ d 
3
0.003703542 X  3.857574221X  229.7648376  1011.379973  11666.7
2

 X  1235.86" 373.719"
 safe

- In case of shutdown:

σ c ) max  σ w  σ d ) shut down

0.003703542 X 2  0.528868617 X  229.7648376  68000

 X  4364.18" 373.719"
 safe

- In case of erection:

  c ) max   w   d ) erection
0.003703542 X 2  0.4532 X  40.65840119  12000
 X  4345.3" 373.719"
 safe
So a thickness of 8/16” in the lower part will be suitable.

Design of skirt support:-

 Disk  0.98  Dish  96.46"

 Dosk  1.02  Dosh  101.41"
Dosk  Disk
 tsk   2.48"
2
Dosk  Disk
 Dmsk   98.935"
2
 lsk  2 .1m  82.677"

23
 Pw D o sk  0.7  (L sk  Lsh ) 2 /2wt) sh  wt) h  wt) sk
 σ u.w.s ) max    12000
π/4 ( Dmsk ) ( tsk - C)E  %closed π Dmsk(tsk - C)E  %closed
2

%closed  ( π  101.41 82.677  0.25π  2.742 )/ π  101.41 82.677  0.99978

 
wt) sh  wt) h  wt) sk  44.8  373.719  4020.4  π/4 101.412  96.46 2  82.677  0.284  0.99978  38855.7lb
σ u.w.s ) max  69.70131371  12000
 Safe
Pw D o sk  0.7  (L sk  Lsh ) 2 /2 Σwt
 σ d.w.s ) max    10000
π/4 ( Dmsk ) ( tsk - C)E  %closed
2
π Dmsk(tsk - C)E  %closed
%closed  ( π  101.41 82.677  0.25π  2.742 )/ π  101.41 82.677  0.99978
 
Σwt  24991.69  419.591 373.719  π/4 101.412  96.46 2  82.677  0.284  0.99978  137988 lb
σ d.w.s ) max  467.2026798  10000
 Safe

Design of bearing plates:-

 Dib  0.8  Disk  77.165"

 Dob  1.2  Dosk  121.696"
 wt  181800.9265lb

Pw Dosk  0.7  ( Lsk  Lsh ) 2 /2

 w   9.712 psi
  Dob 4  Dib 4 
 
64  Dob / 2 

 d 
 wt  wt skirt
 28.74062368

4
Dob  Dib )
2 2

  c ) max  9.712  28.74062368  38.45279488  525  all concrete 

 Safe

1 3 c ) max 1 3  38.453
 tb  ( Dob  Dib )  C  (121.696  77.165)  2/16
2 all 2 15000
 t b  2.08"  5.277cm

Design of anchor bolts:-

24
 wt ) shell  wt ) skirt  wt )heads
  d min@ erection   5.587 psi

 / 4 Dob 2  Dib 2 
 
c max   w   d  4.125 psi  0
 Takedibolt  2"

 
c max   ( Dob2  Dib2 )
n bolts  4  0.810985631

 (d ibolt  C ) 2   bolts
4
Take 4  2" bolts

7. Economic Study:-
7.1. Cost Estimation of the reactor:-
Purchase cost of equipment=x=Cost of agitator+ Cost of heating system (coil) +Cost of agitated
vessel=$1081900

Estimation of fixed capital investment:-

-The process involves liquid and solid processing:

Table (6) : Total capital investment calculation for reactor.

Fixed Capital Investment

Item Fluid - Solid factory
Purchased Cost of Equipment X=
Installation 0.45 x
Piping 0.45 x
Instrumentation 0.15 x
Electrical 0.1 x
Building 0.1 x
Utilities 0.375 x
Storage 0.2 x
Site development 0.05 x
Ancillary buildings 0.225 x
PPC 3.1 x
Design and Engineering 0.25 PPC
Contractor's fees 0.05 PPC
Contingency 0.1 PPC
Total PPC*1.4
FCI 4695446

25
 Working Capital Investment
WCI 0.2 FCI
Total Capital Investment
TCI FCI + WCI
- Total capital investment (TCI) (in2007)=1.2 FCI =1.2 *4695446=$5634535.2

- Cost index in 2007 = 525.4

- Cost index in 2010 = 555.2

555.2
 Total capital investment Cost (in 2010) = 5634535.2* =$5954118.658
525.4

7.2. Integrated economic study of the factory:-

7.2.1. Estimation of Purchased Cost of Equipment (PCE):-

Table (7): Purchased Cost of Equipment for TPA production (Eastman).

Eastman TPA
Cost At Total Costs
Equipment
2007 ($) ($)
Compressors
Compressor1 181,500
Compressor2 197,700
Compressor3 128,400
Compressor4 383,000
Total Compressors Cost 890,600
Expanders
Expander1 130,000
Expander2 98,000
Total Expander Cost 228000
Flash Separators
Over Flow Flash Drum 68,200
Vacuum Flash Drum 80,100
Total Flash Cost 148,300
WRC
Cost Of Top Trays 87,913.8
Cost Of Bottom Trays 36,414
Top Shell 124,100
Bottom Shell 32,700
Total WRC Cost 281127.8
Heat Exchangers
Inter-Stage Cooler1 1,405,300
Inter-Stage Cooler2 1,303,000

26
 WRC Condenser 265,600
Flash Condenser 2,437,400
Rankine Condenser 328,000
Solvent Vaporizer 82,800
Pre Expander Gas Heater 353,900
After Crystallizer Condenser 202,500
After Over Flow Flash Drum Condenser 511,700
Total Heat Exchangers Cost 6,890,200
Dryer 479,700
Lot Bin 576,300
Tanks
Filtrate Tank 558900
Reflux Tank 470800
Total Tanks Cost 1,029,700

Table (7contd.): Purchased Cost of Equipment for TPA production (Eastman).

Eastman TPA
Cost At 2007 Total Costs
Equipment
($) ($)
Static Mixer 8,500
Centrifuge 203,500
Rotary Vacuum Filter
Rotary Vacuum Filter 346,500
RVF Vacuum System 13,800
Total RVF Cost 360,300
Vacuum Flash Drum Vacuum System 10,300
Crystallizer 1,184,000
Post Oxidizer
Shell 306,300
Impeller 134,300
Cost of 1 stage 440,600
Total Post Oxidizer Cost 881,200
Bubble Column Oxidizer
Titanium lining 4,778,100
Carbon steel shell 5,032,300
Total Bubble Column Cost 9,810,400
Total Fixed Cost 2007 USD$ 22,982,127.8
2007 Cost Index 525.4
2010 Cost Index 555.2
Total PCE For TPA At 2010 24,285,643.99

27
 Table (8): Purchased Cost of Equipment for Intermediate PET production (CTIEI).

CTIEI
Cost At 2007 Total Costs
Equipment
($) ($)
First Distillation Column
First Column 38,600
First Column Condenser 47,300
First Column Trays 5,357
Total First Distillation Cost 91,257
Second Distillation Column
Second Column 69,800
Second Column Condenser 35,400
Second Column Reboiler 91,800
Second Column Trays 3,689
Packing 22,406
Total Second Distillation Cost 223,095
Vacuum Unit 20,700
Pre-Polymerization Reactor
Pre-Polymerizer 786,500
Heating system 48400
Agitator 247,000
Total Pre-Polymerizer Cost 1,081,900
Esterification Reactor
Esterifier 1,117,700
Agitator 45,200
Total Esterifier Cost 1,162,900
Mixer
Agitator 36,200
Vessel 43,200
Total Mixer Cost 79,400
Disk Ring Reactor 1,676,550
Total Purchasing Cost CTIEI 2007 ($) 4,287,402
2007 Cost Index 525.4
2010 Cost Index 555.2
Total Purchasing Cost CTIEI 2010 4,578,977.827
Table (9): Purchased Cost of Equipment for Product PET production (Buhler).

Buhler
Cost At 2007 Total Costs
Equipment
($) ($)
Total purchasing cost Buhler 2007 6,431,103

28
 2007 Cost Index 525.4
2010 Cost Index 555.2
Total purchasing cost Buhler 2010 6,795,866.741

Total purchased cost for project 35,612,088.56

7.2.2. Estimation of Total Capital Investment:-

Table (10): Fixed and Working Capital Investment.

Fixed Capital Investment

Item Fluid - Solid factor Factor*PCE
Purchased Cost of Equipment X 35,004,148.99
Installation 0.45 x 15,751,867.05
Piping 0.45 x 15,751,867.05
Instrumentation 0.15 x 5,250,622.349
Electrical 0.1 x 3,500,414.899
Building 0.1 x 3,500,414.899
Utilities 0.375 x 13,126,555.87
Storage 0.2 x 7,000,829.798
Site development 0.05 x 1,750,207.45
Ancillary buildings 0.225 x 7,875,933.523
PPC 3.1 x 1,0851,2861.9
Design and Engineering 0.25 PPC 27,128,215.47
Contractor's fees 0.05 PPC 5,425,643.093
Contingency 0.1 PPC 1,0851,286.19
Total 43,405,144.75
FCI 151,918,006.6
Working Capital Investment
WCI 0.2 FCI 22,787,700.99
Total Capital Investment
TCI FCI + WCI 174,705,707.6
7.2.3. Estimation of Net Profit/Year and Payback Time:-
Table (11): Cost of Raw Materials and Products.

Sales And Raw Materials Cost

Material Price Per Ton Cost
PX 1200 301,468,800
TPA 925 92,500,000
PET 1500 525,000,000
AcAc 530 288

29
 MEG 550 70,400,000

Table (12): Price and Cost of Utilities.

Utilities
Type Price ($) Price Unit Amount Cost
Steam 0.355 Per Ton Product 124,250 6,833,750
Cooling 0.251 Per Ton Product 87,850 8,785,000
kWh Per Ton
Electricity 96 Product 33,600,000 6,048,000
Fuel 500 m3/hr 4,000,000 1,400,000
Total Cost ($) 12,581,864

Table (13): Calculation of Net Profit/year and Payback time.

Manufacturing Cost
Direct Cost Calculation Equation Value ($)
A- Variable Cost
Raw Materials 371,869,088.00
Miscellaneous 0.1 Maintenance 1,519,180.07
Utilities 12,581,863.64
Shipping And Packing $ 14per Ton 4,900,000.00
Total Variable Cost 390,870,131.70
B- Fixed Cost
Labor $ 1000Per Month * 150 Employee 1,800,000.00
Supervision 0.2 Labor 360,000.00
Plant Overhead 0.5 Labor 900,000.00
Depreciation 0.15 FCI 22,787,700.99
Interest 0.01 FCI 1,519,180.07
Insurance 0.01 FCI 1,519,180.07
Rent 0.01 FCI 1,519,180.07
Royalties 0.01 FCI 1,519,180.07
Maintenance 0.1 FCI 15,191,800.66
Total Fixed Cost 47,116,221.92
Direct Production Cost Variable Cost + Fixed Cost 437,986,353.62
Table (13 contd.): Calculation of Net Profit/year and Payback time.

Manufacturing Cost
Indirect Cost Calculation Equation Value
Indirect Production Cost 0.25 Direct Production Cost 109,496,588.41
Manufacturing Cost Direct Production Cost + 547,482,942.03

30
 Indirect Production Cost
Selling: 100,000 Ton TPA 617,500,000.00
Sales 350,000 Ton PET

Gross Profit Sales - Manufacturing Cost 70,017,057.97

Net Profit Per Year At Taxes 20% of Gross Profit 56,013,646.38

Payback Time (years) TCI/Average Profit Per Year 3.12

Conclusion:
In the present report, a detailed design of prepolymerization reactor is made. In which a design
of the reactor as two individual parts CSTR at the lower part and a vertical separator at the top.
Moreover, due to nature of reaction mixture agitation was necessary to enhance heat transfer
between reaction mixture and coil, which is a special coil type.

31
References:-
Books:-
[1] J. Scheirs and T. E. Long, "Modern Polyesters: Chemistry and Technology of Polyesters and
Copolyesters", John Wiley & Sons, Ltd, 2003.
[2] Perry, R.H.; Green, Perry's Chemical Engineers' Handbook, 7th Edition, McGraw-Hill, 1997.
[3] Coulson and Richardson's; "Chemical Engineering design"; 3rd ed; Butter Worth Heinemann
(Pub) ,1999.
[4] Marko Zlokarnik ,"stirring: theory and practice", pg(2-7,79,80,272-277), Wiley-VCH, Austria.
[5]DENNIS R.MOSS, "Pressure vessel Design Manual", 3rd Edition, Gulf Professional
Publishing,USA.
[6]Ludwiq, "Applied Process Design for Chemical and Petrochemical Processes", Vol.2, 3rd Edition.
Patents:-
[7]U.S. Patent 6,096,838, “Method and Apparatus for Continuous Polycondensation".
Papers:-
[8]K. RAVINDRANATH and R. A. MASHELKAR, “POLYETHYLENE TEREPHTHALATE-
I. CHEMISTRY, THERMODYNAMICS AND TRANSPORT PROPERTIES”, Polymer
Science and Engineering Group, Chemical Engineering Division, National Chemical Laboratory,
India, 6 July, 1984.
[9] Won Seok Lyooa,, Se Geun Leeb, Wan Shik Hab, Jinwon Leec, Joon Ho Kim d,, “A high
performance liquid chromatography method to determine monomer reactivity ratios in
copolycondensation of bis(4-hydroxybutyl) terephthalate and bis(2-hydroxyethyl)
terephthalate”,polymer testing, South Korea, 15 October, 1998.
Websites:-
[10]http://www.radcoind.com/TechTips2.html, (12/7/2010).
[11]http://www.engineeringtoolbox.com/specific-heat-fluids-d_151.html, (12/7/2010).
[12]http://www.univareurope.com/uploads/documents/uk/Dowtherm_A01.pdf, (13/7/2010).
[13]http://www.egpet.net/vb/showthread.php?3389-Jacketed-Vessel-Design. (13/7/2010).
[14]http://www.azom.com/Details.asp?ArticleID=965#_Mechanical_Properties. (13/7/2010).
[15]http://www.aksteel.com/pdf/markets_products/stainless/austenitic/304_304L_Data_Sheet.pd
f, (13/7/2010).
[16] http://matche.com.

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