CHAPTER 5.pdsdfghjkl; asxcvbnm,. sdfghjkl; dfghjk dfghkl; sdfghjklaf

8/14/2019 CHAPTER 5.pdsdfghjkl; asxcvbnm,. sdfghjkl; dfghjk dfghkl; sdfghjklaf

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PRODUCTION OF 100,000 TONNE OF 2-ETHYLHEXYL ACRYLATE CHAPTER 5

146

For ease of calculation, the basic assumptions for our material balance are:

1. No leakage in any equipment in the system

2. The total input for any substance is equal to the total output of the substance where no

reaction occurs.

3. Assume an ideal gas in all gaseous compounds

4. The system is at steady state

5. All components in the system behave as ideal condition

All calculation are done in mass flow rate (kg/h) and molar flow rate (kgmol/h)

5.2 SAMPLE CALCULATIONS

The material used throughout this mass balance and will be denoted as in Table 5.1.

Table 5.1: Component used for Production of 2-EHA

Component Formula Molecular weight

(kg/kmol)

Acrylic acid C 3H4O 2 72.06

2-Ethylhexanol C 8H18 O 130.23

2-Ethylhexylacrylate C 11 H20 O 2 184.28

Water H 20 18.02

DAA C 6H8O 4 144

Octene C 8H16 112.21

Mass fractions of composition of acrylic acid were show in Table 5.2.

Table 5.2: Composition of AA.

Composition Mass fraction

Acrylic acid 0.997

Acetic acid 0.001

Propionic acid 0.0004


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DAA 0.0008

H2O 0.0006

MEHQ 0.0002

To simplify, we assume our raw materials are pure since the component composition is very

small thus does not give much effect on production of 2-EHA.

5.2.1 Mass Balance around Second Distillation Column, T-102

For the second distillation column, is the final stage of the process of purification of

production of 2-ethylhexylacrylate. Based on literature review, the product purity

achieved as high as 99.7% purity while high boiling residue is discharged through the

bottom stream of distillation column.

Table 5.3 shows the specifications of second distillation column based on literature

review.

Table 5.3: Specification of T-102

Reflux ratio 0.3-0.5

No of stages 20 - 25

Top product Product

Bottom product High boiling residue

Top P 18 mmHg

Bottom P 10 100 mmHg

For production of 2-EHA,

Operating day = 335 day

Operating hour = 24hour

Minimum production = 100 000 metric tones


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Table 5.4: Summary calculation in T-102

ComponentInput (kg/h) Output (kg/h)

S 21 S 22 S 23 Total Output

C3H4O2 0.0000 0.0000 0.0000 0.0000C8H18 O 1.8708 1.8708 0.0000 1.8708

C11 H20O2 12355.2103 12354.6804 0.3672 12355.0476H20 0.0000 0.0000 0.0000 0.0000

C6H8O4 368.0616 81.2597 286.9179 368.1776C8H16 0.0000 0.0000 0.0000 0.0000

Total 12725.1427 12725.0960

ComponentInput (kgmole/h) Output (kgmole/h)

S 21 S 22 S 23 Total Output

C3H4O2 0.0000 0.0000 0.0000 0.0000C8H18O 0.0144 0.0144 0.0000 0.0144

C11 H20O 2 67.0459 67.0430 0.0020 67.0450H20 0.0000 0.0000 0.0000 0.0000

C6H8O4 2.5560 0.5643 1.9925 2.5568C8H16 0.0000 0.0000 0.0000 0.0000Total 69.6162 69.6161


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C 8 H 18 O B alance:

(1)

C 11 H 20 O 2 Balance:

(2)

Solve both equations simultaneously, (2) into (1)


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Table 5.6: Summary calculation in T-101


S 17 S 18 S 21 Total output

C3H4O 2 571.9189 571.9343 0.0000 571.9343C8H18 O 27211.8077 27210.6712 1.8707 27212.5419

C 11 H20O 2 12797.8796 444.7387 12355.2132 12799.9519H20 176.6393 176.6440 0.0000 176.6440

C6H8O 4 367.9976 0.0002 368.0588 368.0590C8H16 1380.4394 1380.4766 0.0000 1380.4766Total 42506.6825 42509.6077



C3H4O 2 7.9367 7.9369 0.0000 7.9369C8H18 O 208.9519 208.9432 0.0144 208.9576

C11 H20O 2 69.4480 2.4134 67.0459 69.4593H20 9.8024 9.8027 0.0000 9.8027

C6H8O 4 2.5555 0.0000 2.5560 2.5560C8H16 12.3023 12.3026 0.0000 12.3026

Total 310.9969 311.0150


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5.2.3 Mass balance around mixer

The purposed of mixer in this process is to mix all raw materials with recycle streams.

Since there is no chemical reaction occur in this stage. The input fed into the mixer is

same with the output coming out from mixer.

Input = output

0.1276 kg C 3H4O2/kg0.8037 kg C 8H18 O/kg0.0139 kg C 11 H20 O2/kg 0.0039 kg H2O /kg 0.0508 kg C 8H16 /kg

MIX-101

0.0192 kg C 3H4O2/kg0.9141 kg C 8H18 O/kg

0.0149 kg C 11 H20 O2/kg 0.0059 kg H2O /kg 0.0458 kg C 8H16 /kg

29784.4650 kg/h

0.0794 kg C 3H4O2/kg0.5445 kg C 8H18 O/kg0.0642 kg C 11 H20 O 2/kg 0.0033 kg H2O /kg 0.0007 kg C 6H8O4/kg0.3080 kg C 8H16 /kg

1.0 kg C 3H4O2/kg

1.0 kg C 8H18 O/kg

S 20

S 15

S 4

S 3

S 5

Figure 5.3: Inlet and outlet stream of mixer

Assuming tha t :

C 8 H 16 Balance:

(1)


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(2)

Solve both equations simultaneously, (2) into (1):


Overall Mass Balance:


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Table 5.7: Summary calculation in mixer

Component

Input (kg/h) Output (kg/h)

S 3 S 4 S 20 S 15 Total input S 5

C 3H4O 2 5190.1591 0.0000 571.8617 262.7061 6022.2935 6024.727C 8H18 O 0.0000 8931.8130 27211.0872 1802.3803 37930.3524 37945.28

C 11 H20 O 2 0.0000 0.0000 443.7885 212.6906 655.991 656.4791H20 0.0000 0.0000 175.7283 10.8452 187.3224 186.5735

C 6H8O 4 0.0000 0.0000 0.0002 2.1534 2.2823 2.1536C 8H16 0.0000 0.0000 1379.0207 1019.5857 2444.4174 2398.606Total 47216.7985 47216.7985

ComponentInput (kgmole/h) Output

(kgmole/h)

S 3 S 4 S 20 S 15 Total

input

S 5

C 3H4O 2 72.0255 0.0000 7.9359 3.6457 85.2312 83.6071C 8H18 O 0.0000 68.5849 208.9464 13.8400 297.0687 291.3713

C 11 H20O 2 0.0000 0.0000 2.4082 1.1542 3.6353 3.5624H20 0.0000 0.0000 9.7519 0.6018 10.3952 10.3537

C 6H8O 4 0.0000 0.0000 0.0000 0.0150 0.0158 0.015C 8H16 0.0000 0.0000 12.2896 9.0864 21.7843 21.376Total 410.2855 410.1605


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5.2.4 Mass balance around tee splitter, TEE-100

The purpose of tee splitter is to split mixture with ratio 0.8:0.2 for recycle and purge. The

ratio of purge is based on literature review to remove octene from the process.

TEE-100

Recycle : Purge0.8 : 0.2

0.0794 kg C 3H4O 2/kg0.5446 kg C 8H18 O/kg0.0643 kg C 11 H20 O2/kg

0.0029 kg H2O /kg 0.0007 kg C 8H16 /kg 0.0794 kg C 3H4O2/kg

0.5446 kg C 8H18 O/kg0.0643 kg C 11 H20 O2/kg 0.0029 kg H2O /kg 0.0007 kg C 8H16 /kg

0.0794 kg C 3H4O2/kg0.5446 kg C 8H18 O/kg0.0643 kg C 11 H20 O2/kg0.0029 kg H2O /kg 0.0007 kg C 8H16 /kg

I-21S 12

S 13

S 10

Figure 5.4: Inlet and outlet stream of TEE-100

Assuming tha t :

Acc ord ing to r atio 0.8:0.2,


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Table 5.8: Summary calculation in TEE-100



C 3H4O 2 328.6397 262.9118 65.7279 328.6397C 8H18 O 2253.4030 1802.7224 450.6806 2253.403

C11 H20 O 2 265.8866 212.7093 53.1773 265.8866H20 11.9162 9.5330 2.3832 11.9162

C 6H8O 4 2.6920 2.1536 0.5384 2.692C8H16 1275.4142 1020.3314 255.0829 1275.4143Total 4137.952 4385.8979



C 3H4O 2 4.5606 3.6485 0.9121 4.5606C 8H18 O 17.3033 13.8426 3.4607 17.3033

C11 H20 O 2 1.4428 1.1543 0.2886 1.4429H20 0.6613 0.5290 0.1323 0.6613

C 6H8O 4 0.0187 0.0150 0.0037 0.0187

C8H16 11.3663 9.0931 2.2733 11.3664Total 35.3530 35.3530

5.2.5 Mass balance around decanter

The purpose of this equipment is to separate two liquid phases in the stream which are organic

phase and aqueous phase. Aqueous phase is then discharged to the wastewater treatment if

required while organic phase is recycled back into the reactor for further reaction.


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DECANTER

0.0794 kg C3H4O2/kg

0.5446 kg C8H18O/kg0.0643 kg C11H20O2/kg0.0029 kg H2O/kg0.0007 kg C6H8O4/kg0.3082 kg C8H16/kg

4137.9518 kg/h

0.0004kg C3H4O2/kg0.9996kg H2O/kg

0.0618kg C3H4O2/kg0.4234kg C8H18O/kg0.0500kg C11H20O2/kg 0.2247kg H2O/kg0.0005kg C6H8O4/kg0.2396kg C8H16/kg

S9 S10

S11

Figure 5.5: Inlet and outlet stream of decanter

C 3 H 4 O 2 B alance:

C 8 H 18 O B alance:

Overall Mass Balance


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Table 5.9: Summary calculation in decanter


S 9 S 10 S 11 Total outlet

C 3H4O 2 329.1078 328.6397 0.4646 329.1043C 8H18 O 2253.4364 2253.4030 0.0097 2253.4127

C11 H20 O 2 265.8894 265.8866 0.0000 265.8866H20 1195.9045 11.9162 1184.0314 1195.9476

C 6H8O 4 2.6920 2.6920 0.0000 2.692C 8H16 1275.4276 1275.4142 0.0000 1275.4142Total 5322.4576 5322.4576


S 9 S 10 S 11 Total outlet

C 3H4O 2 4.5671 4.5606 0.0064 4.567C 8H18 O 17.3035 17.3033 0.0001 17.3034

C11 H20 O 2 1.4429 1.4428 0.0000 1.4428H20 66.3654 0.6613 65.7065 66.3678

C 6H8O 4 0.0187 0.0187 0.0000 0.0187C8H16 11.3664 11.3663 0.0000 11.3663

Total 101.0640 101.0661


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5.2.6 Mass balance around reactor

The purpose of this equipment is to evaporate water formed from esterification reaction

between acrylic acid with 2-Ethyl hexanol. Vapor mixtures are fed into condenser while

liquid mixture containing product, unreacted reactant, high boiling residue and by-

product are fed into distillation column.

The esterification reaction occurs in reactor heater are:

Main reaction

Side reaction

According to Patterson et al. , Iffland et al., the reaction conversion is in range of 70-85%

conversion. In this process 85% conversion has been chosen for both reactions where

79% conversion for main reaction and 6% conversion for side reaction based on limiting

reactant.

R-101

47216.1591 kg/h

0.1276 kg C 3H4O 2 /kg 0.8037 kg C 3H4O 2 /kg 0.0139 kg C 11 H20 O 2 /kg 0.0039 kg H20/kg0.0508 kg C 8H16 /kg

Temp : 125 CPressure : 100 mmHg

S 7

S 8

S 16

0.0618 kg C 8H18 O/kg 0.4234 kg C 3H4O 2/kg

0.0500 kg C 11 H20 O 2 /kg0.2247 kg H 20/kg

0.0005 kg C 6H8O 4/kg 0.2395 kg C 8H16 /kg

0.0135 kg C 8H18 O/kg

0.6402 kg C 3H4O 2 /kg0.3011 kg C 11 H20 O 2 /kg0.0042 kg H 20/kg0.0087 kg C 6H8O 4 /kg0.0325 kg C 8H16 /kg

Figure 5.6: Inlet and outlet stream of reactor


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For inlet stream S 7;


C 8 H 18 O Balance:


H 2 0 Balance:

C 8 H 16 Balance:

-------------

-------------

For Acrylic acid ( C 3 H 4 O 2 ) ,

Overall conversion 85%, so 15% unreacted raw materials

(1)

For 2-Ethy lhexano l (C 8 H 18 O);


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(2)

Solve simultaneously, (2) into (1) :

kgmole/h

kgmole/h

So, for unreacted material,

C 3 H 4 O 2 :

C 8 H 18 O:

C 11 H 20 O 2 :

H 2 O:


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C 6 H 8 O 4 :

C 8 H 16:

For outlet stream,


(1)

C 8 H 18 O Balance:

(2)

Solve simultaneously, (2) into (1):

kg/h


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Table 5.10: Summary calculation in reactor

Component

Input Output

S 7 S 8 S 16 Total stream

kgmole/h kg/h kgmole/h kg/h kgmole/h kg/h kgmole/h kg/h

C3H4O2 83.6079 6024.7853 4.3395 312.7069 7.7770 560.4106 12.1165 873.1175C8H18O

291.3893 37947.6285 16.4461 2141.7772 204.8084 26672.1957 221.2545 28813.973C11 H20O2 3.5615 656.3132 1.3715 252.7398 68.0775 12545.3238 69.449 12798.064H20 10.2188 184.1428 63.0839 1136.7712 9.6095 173.1640 72.6934 1309.9352

C6H8O4 0.0000 0.0000 0.0178 2.5589 2.5051 360.7371 2.5229 363.296C8H16 21.3758 2398.5785 10.7974 1211.5714 12.0516 1352.3120 22.849 2563.8834Total

410.1533 47211.4483400.8853 46722.269


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5.2.7 Overall Mass Balance

S 4

S 3

S 22

S 23

S 12

S 11

12437.8109 kg/h

287.2851 kg/h

827.7904 kg/h

1184.5058 kg/h

5190.1591 kg/h

8931.813 kg/h

Figure 5.7: Overall mass balance diagram

For overall mass balance,

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CHAPTER 5.pdsdfghjkl; asxcvbnm,. sdfghjkl; dfghjk dfghkl; sdfghjklaf