ExecSum - V4 - Epichlorohydrin From Allyl Chloride - 106 89 8 - 2010 10 03 - 2010 10 04 - 15 17

Epichlorohydrin from allyl chloride [106-89-8]
CONTENTS OF FACTORY GATE TO FACTORY GATE

LIFE CYCLE INVENTORY SUMMARY
Chemistry ....................................................................................................................................................... 1
Process Summary ........................................................................................................................................... 3
Summary of LCI Information ......................................................................................................................... 4
Process Diagram Interpretation Sheet ............................................................................................................ 6
Process Diagram or Boundary of LCI ............................................................................................................ 7
Mass Balance of Chemicals in Each Process Stream ....................................................................................18
Graph of Cumulative Chemical Losses through Manufacturing Process ......................................................26
Graph of Cumulative Contaminated Water Use / Emission through Manufacturing Process .......................27
Graph of Cumulative Non-Contaminated Water Use / Emission through Manufacturing Process ...............28
Energy Input for each Unit Process, Cumulative Energy Requirements, Cooling Requirements (exotherms),
and Assumed Heat Recovery from Hot Streams Receiving Cooling ............................................................29
Graph of Cumulative Energy Requirements ..................................................................................................32
Authors
Peer reviews, name (date)
Gtg report last modified on
Additional notes
E. Griffing and
MR Overcash (1-1-1999); MR Overcash (9-4-2007)
10-3-2010
This gtg may be improved.
Checked for database consistency on

First gtg version finalized on
Modification history, Author (date)
10-4-2010
1-1-1999
EMG (9-4-2007), (4-1-2009), and EMG (10-3-2010)
Products
Standard inputs
allyl trichloride, Calcium dichloride, Epichlorohydrin

Chlorine, Allyl Chloride, calcium monoxide
Methodology: Environmental Clarity gtg lci reports are based on industrial practice information, standard
methods of engineering process design, and technical reviews. These reports are intended to be
representative of industrial production based on the stated route.
Terms of use: Environmental Clarity does not assume any liability due to use of these lci data. Integration
of these data with lci data based on other methodologies is the responsibility of the user. Each report may
be updated to improve model accuracy or representativeness.
Users of this report should cite: E. Griffing and M. Overcash, Chemical Life Cycle Database,
www.environmentalclarity.com, 1999 - present.
Chemistry
updated on 10/3/2010
Griffing and Overcash, Chemical Life Cycle Database, www.environmentalclarity.com, 1999-present.
Primary reactions:
Cl2
+
H20
HOCl
+
HCl [Rxn. 1]
Chlorine
Water
Hypochlorous Acid
Hydrochloric Acid
CH2ClCH=CH2 +
HOCl
CH2ClCHClCH2OH (2 Isomers) [Rxn 2]
Allyl Chloride
Hypochlorous Acid
Glycerol Dichlorohydrin
CaO + H2O
Ca(OH)2 [Rxn. 4]
Lime
Water
Calcium Hydroxide
CH2ClCHClCH2OH + 1/2 Ca(OH)2
C3H5ClO + 1/2 CaCl2 + H2O

[Rxn. 5]
Glycerol Dichlorohydrin Calcium Hydroxide Epichlorohydrin Calcium Chloride Water
Net
CH2ClCH=CH2
Allyl
Chloride
+ Cl2 + 1/2 CaO +1/2 H2O C3H5ClO

+ 1/2 CaCl2
chlorine
Calcium water
Epichlorohydrin
Calcium
hydroxide
Chloride
Net
CaO + H 2O
Ca(OH)2
Ca(OH)2+ HCl CaCl2 + H2O
CaO + HCl CaCl2+ H2O
Net (with neutralization)

CH2ClCH=CH2
Allyl
chloride
+ Cl2 + CaO C3H5ClO

+ CaCl2
chlorine lime
Epichlorohydrin Calcium
chloride
Neutralization reactions:
Side reactions
CH2ClCH=CH2
+
Allyl Chloride
Cl2
HCl
Hydrogen
chloride
[Rxn. 4]
[Rxn 6]
[Rxn 7]
C3H5Cl3
[Rxn 3]
Chlorine
Trichloropropane
Process Summary
LCI design
Epichlorohydrin is formed from allyl chloride through a series of reactions and

separations. Vaporized allyl chloride is mixed with dilute hypochlorous acid in the
hypochlorination reactor at 1 atm and 55 oC to produce glycerol dichlorohydrin (93% of
reactor input). The output from the reactor is fed to a series of separators to isolate the
glycerol dichlorohydrin, to recover the allyl chloride for recycle back to the reactor, and
to remove the unreacted acid-water solution. The unreacted water solution is sent to the
acid treatment center, where it is neutralized with calcium hydroxide and sewered.
The glycerol dichlorohydrin is mixed with a calcium hydroxide slurry in the
prehydrolysis mix tank and then sent to the hydrolysis reactor. The reactor operates at
100 oC and 1 atm and produces epichlorohydrin (92% conversion). The reactor bottoms
is a waste slurry of calcium chloride. The tops are gaseous epichlorohydrin, unreacted
glycerol dichlorohydrin, organic by-products and some water vapor. These are removed
from the top of the reactor and separated in a series of distillation columns. The glycerol
dichlorohydrin is recycled back to the prehydrolysis mix tank, and the organic byproducts exit the system in a waste stream.
The epichlorohydrin recovered at this point has an azeotrope with water. This azeotrope
is broken by adding acetic acid, which forms a new, lower-boiling azeotrope with the
water. The mixture is separated in a distillation column operated 100 oC and 1 atm. The
acetic acid-water mixture is sent to the acid treatment center for neutralizing and
sewering. The epichlorohydrin is run through a final distillation column at 100 oC and 1
atm to remove a small amount of organic contaminants, producing 1000 kilograms per
hour of 97 % pure epichlorohydrin.
Critical parameters
Yield information (calculated from process mass balance)
Total yield of Epichlorohydrin in Process:

(% yield produced by the overall process based on
reactant input to process)
Notes:
Yield
from
Chlorine
88
Yield from allyl

chloride
Yield from
lime
92
87
Product purity
Used here
LiteratureSource
Epichlorohydrin
100
Comments
Summary of LCI Information

Standard inputs
UID
Name
7782-50-5
Chlorine
107-05-1
Allyl Chloride
calcium
monoxide
Total
Non-reacting inputs
UID
Name
7732-18-5
Water
Total
Ancillary inputs
UID
Name
64-19-7
Acetic acid
Total
Products
UID
Name
96-18-4
allyl trichloride
10043-52-4
Calcium
dichloride
106-89-8
Epichlorohydrin
Total
Benign outflows
UID
Name
7732-18-5
Water
Total
Flow
1305-78-8
Process emissions
UID
UIDCalciumSalt
64-19-7
7647-01-0
7790-92-3
106-89-8
7782-50-5
107-05-1
UIDEpichlorohydrinOrganicWaste
Mass balance
Total inputs
Total outflows
Net input
872
899
Purity
-
Units
[kg/hr]
[kg/hr]
693
[kg/hr]
2465
Flow
2.63E+05
2.63E+05
Flow
7.35
7.35
Flow
18.0
1375
1000
2393
Flow
2.63E+05
2.63E+05
Name
calcium salt
Acetic acid
Hydrogen
chloride
Hypochlorous
acid
Epichlorohydrin
Chlorine
Allyl Chloride
organic waste
Total
Comments
includes
18kg/hr
fugitive
replacement
[kg/hr]
Purity
-
Units
[kg/hr]
[kg/hr]
Comments
Purity
-
Units
[kg/hr]
[kg/hr]
Comments
Purity
100
96.8
Units
[kg/hr]
[kg/hr]
Comments
100
[kg/hr]
[kg/hr]
Purity
-
Units
[kg/hr]
[kg/hr]
Gas
Comments
0
0.0735
2.23
Liquid
9.68
0
0
Solid
0
0
0
Solvent
0
0
0
Units
[kg/hr]
[kg/hr]
[kg/hr]
0.161
6.43
[kg/hr]
10.3
4.34
18.7
0
35.8
0
0
0
39.9
56.0
0
0
0
0
0
0
0
0
0
0
[kg/hr]
[kg/hr]
[kg/hr]
[kg/hr]
Comments
2.66E+05
2.66E+05
-9.25
Energy use
Energy type
electricity
Amount
258
Units
[MJ/hr]
heating steam
8.24E+04
[MJ/hr]
Net input requirement
8.27E+04
[MJ/hr]
cooling water
- 9.45E+04
[MJ/hr]
potential recovery
- 2.34E+04
[MJ/hr]
Net energy
5.93E+04
[MJ/hr]
Comments
Net electricity use at
plant
heating by steam (0.85
efficiency included)
Net of energies input to
system
net cooling by cooling
water
potential energy
recovery (negative)
Net input requirement potential recovery
Process Diagram Interpretation Sheet
1) As much as possible, standard symbols are used for all unit processes.
2) Only overall input and output chemicals are labeled on these diagrams. All intermediate information is
given on the attached Process Mass Balance sheet
3) The physical state of most streams is shown (gas, g; liquid, l; solid, s)
4) The process numbering is as follows,
generally numbers progress from the start to the end of the process
numbers are used for process streams
C i , i = 1,..n are used for all cooling non-contact streams
S j, j = 1,...n are used for all steam heating non-contact streams
5) Recycle streams are shown with dotted lines
For most streams, the temperature and pressure are shown, if the pressures are greater than 1 atm
Process Diagram or Boundary of LCI

Steam enters the process as a gas at 207 oC and leaves as a liquid at 207 oC. Cooling water enters at 20 oC and leaves at 50 oC.
Unless otherwise indicated, all processes are at 1 atm and 25oC.
4 (l)
5 (l)
55 F
55 C
P2
27 (l)
55 C
S2
C1
33 (l)
26.8 C
Blwr 2
2 (l)
P1
HX 1
13 (g)
55 oC
1 (l)
881 kg Allyl Chloride
25.0 oC
R1
3 (g)
55 C
C2
Hypochlorination
Reactor
A
S1
16 (g)
12 (l)
55 C
S4
15 (g)
55 C
10 (l)
2.49E+05 kg Water
25.0 oC
S6
Blwr 1
HX 2
14 (g)
868 kg Chlorine
25.0 oC
HX 3
25 C
11 (l)
S5
S3
P4
27 (l)
26 (l)
55 C
6 (l)
5 (l)
Liquid
Separator
B
55 C
7 (l)
55 C
55 C
Liquid
Separator
C
55 C
P12
P42
24 (l)
55 C
8 (l)
55 C
P13
9 (l)
55 C
P5
25 (l)
55 C
H
Central Acid
Treatment
C3
19 (l)
C2b
P6
Di 1
17 (l)
HX 4
55 C
157 C
157 C
S8
9 (l)
HX 5
18 (l)
C2a
20 (l)
18.1 kg allyl trichloride
25.0 oC
157 C
C4
C5
Distillation
Column G
22 (l)
S7
S9
23 (l)
HX 6
21 (l)
157 C
100 C
157 C
S10
P7
C6
40 (l)
2450 kg Water
25.0 oC
42 (l)
25 C
P17
Screw Feeder 1
79 (l)
100 C
78 (l)
100 C
45 (l)
100 C
77 (l)
100 C
P18
P19
46 (l)
100 C
23 (l)
100 C
Central Acid
Treatment
Lime Slaker K
MxE 2
R2
S11
S12
Mix Tank H
MxE 1
47 (l)
100 C
48 (l)
100 C
P20
10
44 (s)
693 kg lime
25.0 oC
C9
63 (l)
100 C
HX 8
61 (v)
100 C
R3
62 (l)
100 C
Hydrolysis reactor
P22
C10
C11
48 (l)
100 C
HX 9
52 (l)
25 C
50 (l)
100 C
P23
51 (l)
100 C
C12
C8
C7
S14
HX 7
100 (g)
100 C
49 (l)
1.19E+04 kg Water
25.0 oC
S13
11
64 (l)
25 C
65 (l)
25 C
Decanter
52 (l)
25 C
53 (l)
25 C
98 (l)
25 C
P25
Central Acid
Treatment
54 (l)
25 C
67 (l)
25 C
55 (l)
25 C
P26
Drum Filter M
59 (l)
25 C
56 (l)
25 C
C13
57 (l)
25 C
HX 10
58c (g)
100 oC
58d (l)
C14
221 kg Water
o
25.0 C
S15
66 (l)
25 C
T
58 (s)
25 C
P28
P27
68 (l)
25 C
Dryer 1
58.a (s)
25 C
Liquid
Separator
Conveyor 2
69 (l)
25 C
S16
P29
Air cooling
58b (s)
652 kg Calcium dichloride
9.07 kg Calcium hydroxide
100.0 oC
12
C17
C16
C15
69 (l)
25 C
73 (l)
9.30 kg organic waste
25.0 oC
72 (l)
135 C
HX 12
S18
70 (l)
135 C
P44
Di S
HX 11
C18
Distillation
Column S
S17
S19
S20
41 (l)
135 C
C19
P45
43 (l)
135 C
77 (l)
100 C
HX 13
C20
13
S24
76 (l)
100 C
74 (l)
7.35 kg Acetic acid
25.0 oC
75 (l)
25 C
HX 14
81 (l)
100 C
C22
C21
S23
80 (l)
100 C
Di N
E
63 (l)
100 C
P31
Distillation
Column N
S21
S22
P48
MixE 3
85 (l)
100 C
82 (l)
100 C
Mixer P
Q
83 (l)
100 C
P32
C23
86 (l)
100 C
P36
HX 15
87 (l)
1.18E+04 kg Water
25.0 oC
C24
14
90 (l)
100 C
C26
C25
84 (l)
100 C
Central Acid
Treatment
P34
Di Q
83 (l)
100 C
88 (l)
100 C
S25
89 (l)
100 C
S26
P33
15
C27
C26a
HX 17
92 (l)
115 C
S28
94 (l)
1000 kg Epichlorohydrin
25.0 oC
P37
89 (l)
100 C
93 (l)
115 C
C26b
C28
Di R
HX 16
S27
91 (l)
115 C
C29
96 (l)
115 C
S28a
HX 18
S28b
95 (l)
115 C
P38
16
C30
97 (l)
30.6 kg organic waste
25.0 oC
Fugitive Losses (Total) (g)

18.7 kg Allyl Chloride
10.3 kg Epichlorohydrin
4.34 kg Chlorine
2.23 kg Hydrogen chloride
0.161 kg Hypochlorous acid
0.0735 kg Acetic acid
Replacement of Fugitive Losses

18.7 kg Allyl Chloride
4.34 kg Chlorine
38 (l)
2.51E+05 kg Water
9.68 kg calcium salt
6.43 kg Hypochlorous acid
25.0 oC
37 (l)
25 C
36 (l)
25 C
35 (l)
25 C
29 (l)
25 C
60 (l)
25 C
P9
Decanter
E
34 (l)
25 C
P11
P8
30 (l)
25 C
C31
HeatX 19
C7 (l)
20 C
32 (s)
25 C
31 (l)
25 C
Drum Filter F
90 (l)
100 C
C32
P10
79 (l)
107 C
Conveyor 1
C33
32d (l)
221 kg Water
25.0 oC
32c (g)
Dryer 2
HX 20
64 (l)
25 C
C34
F
28 (l)
55.1 oC
1.0 atm
25 (l)
55 C
MX 3
32.a (s)
25 C
MixE 4
Mix Tank D
Central Acid Treatment
17
S29
S30
32b (s)
679 kg Calcium dichloride
35.0 kg calcium chlorite
100.0 oC
Mass Balance of Chemicals in Each Process Stream
Input
R1
1 25.0
1.00
2 30.0
1.00
3 55.0
1.00
859 kg
Chlorine
871 kg
Allyl Chloride
9.36 kg
Allyl Chloride
Input to reactor
R1 Reaction Coefficient
1
R1 Conversion 1 [kg/hr]
R1 Conversion 1
[kgmol/hr]
2
R1 Conversion 2
[kgmol/hr]
3
R1 Conversion 3
[kgmol/hr]
Flow out of reactor
Primary product
Total conversion
Per pass conversion
Total yield from reactor
Reactor Convergence
l
l
l
:
:
:
:
881
937
937
is lost in rxn 2
is lost in rxn 3
2.51E+05 937
0
12.1
868 2.49E+05
-1.00
-1.00
-859
-12.1
0
0
1.00 1.00
-218
-12.1
-1.00
1.00
:
:
0 -871
11.4 -11.4
-598
-11.4
1469
11.4
-1.00
-1.00
-9.36 -8.69
- -0.122
0.122
2.51E+05 56.5 0.0101 2.49E+05
Epichlorohydrin
100.0 100.0
0.0827 NA
94.0 100.0
0.0874
NA
0.257 0.0101
2.72
organic waste
calcium salt
calcium
chlorite
Acetic acid
Calcium
dichloride
635 442
12.1 12.1
-1.00
:
:
:
:
:
Calcium
hydroxide
881
937
937
:
:
lime
allyl trichloride
Hydrogen
chloride
Dichlorohydrin
Hypochlorous
acid
Epichlorohydri
n
Water
Chlorine
Allyl Chloride
Total Flow
Phase
Gas
Liquid
Solid
Temp [C]
Streams
Comments
All flow rates are given in kg / hr

Physical state of chemical losses:
1.00
18.1
0.122
0
37.7 442 1469

NA
NA
NA
NA
5.55
18
NA
NA
18.1
NA
NA
- 0.146 3.06E4.67
03
-0 NA
NA
NA
-0 NA
NA
By-product
Waste
2.49E+05
2.49E+05
2.49E+05
2.49E+05
32.1
32.1
32.1
32.1
446 1468
446 1468
446
446
1468
1468
18.1
18.1
1468
0
18.1
18.1
18.1
-18.1
35.0
35.0
35.0
35.0
35.0
35.0
35.0
0
organic waste
calcium salt
calcium
chlorite
Acetic acid
Calcium
dichloride
Calcium
hydroxide
lime
allyl trichloride
221
-221
937
8823
8823
Hydrogen
chloride
Dichlorohydrin
1.00 g
1.00 l
1.00 l
1.00 l
1.00 l
56.2
56.2
56.2
56.2
Hypochlorous
acid
100
25.0
30.0
25.0
25.0
Epichlorohydri
n
32c
32d
33
34
35
Water
2.51E+05
2.51E+05
2.49E+05
2.49E+05
1486
1486
2.49E+05
2.49E+05
2.49E+05
937
868
868
868
1486
18.1
18.1
-18.1
1468
1468
1468
2.49E+05
2.49E+05
56.2
56.2
2.52E+05
2.52E+05
9757
9757
935
935
-714
Chlorine
Allyl Chloride
l
l
l
l
l
l
l
l
l
g
g
g
g
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
s
s
s
P
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
Temp [C]
Total Flow
By-product
Phase
Input
55.0
55.0
55.0
55.0
55.0
55.0
25.0
25.0
55.0
55.0
25.0
25.0
55.0
157
157
157
25.0
157
157
100
55.0
55.0
55.0
55.0
55.1
25.0
25.0
25.0
25.0
25.0
100
Streams
Comments
Input
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
32a
32b
18.1
18.1
2.49E+05
2.49E+05
2.49E+05
937
868
868
868
2.49E+05
2.49E+05
56.2
56.2
0
0
937
0 2.51E+05
2.51E+05
9043
9043
221
221
0
0
221
-221
0
1468
1468
1468
0 9.68
9.68
32.1 446
32.1 446
6.43
6.43
679
679
679
679
679
679
-679
8823
8823
19
Input
Input
Input
R3
40
41
42
43
44
45
46
47
48
49
1.00 l
1.00 l
1.00 l
2.42E+05
2.51E+05
-2.51E+05
25.0
1.00 l
135
1.00 l
25.0
1.00 l
135
1.00 l
25.0
1.00 s
100
1.00 l
100
1.00 l
100
1.00 l
100
1.00 l
25.0
1.00 l
Dichlorohydrin
2450
126
2450
126
693
1743
1743
3338
3338
1.19E+04
1468 kg
kg
kg
Input to reactor
1
R3 Conversion 1
[kgmol/hr]
2
R3 Conversion 2
[kgmol/hr]
3
R3 Conversion 3
[kgmol/hr]
Flow out of reactor
Primary product
Total conversion
:
:
:
:
2.42E+05
2.51E+05
0 -2.51E+05
6.43
6.43
-6.43
organic waste
calcium salt
calcium
chlorite
Acetic acid
9.68
9.68
0
9.68
508
508
508
508
0
0
0
0
0
0
0
0
0
0
508
0
-0.500 0.500
2450
126
2450
126
693
0
0
1235
1235
0
1235
0
1235
1.19E+04
0
0
0
0
0 1595
0 1595
0
0
0
0
0 1.31E+04
1.00
0
1.00
0 1595
-1.00
0
11.4
205
11.4
1053
11.4
0
NonNumber in
input
7.00
-22.0
0 1.33E+04
1031
is lost in rxn 2
is lost in rxn 3
1.52E+04
Calcium
dichloride
Calcium
hydroxide
lime
allyl trichloride
Hydrogen
chloride
Dichlorohydrin
Hypochlorous
acid
Epichlorohydri
n
Water
Chlorine
Allyl Chloride
Total Flow
Phase
Temp [C]
Streams
Comments
Waste
36 25.0
37 25.0
38 25.0
-1468
-11.4
-421
-5.69
632
5.69
-14.0
20.0
72.9
652
:
:
:
9.00
:
:
:
:
:
:
1.52E+04
0
Epichlorohydrin
-0
-0
-0.0804 NA
0
NA
0
NA
20
127
NA
0
NA
-0 NA
NA
0
NA
0
-0 NA
9.00
NA
50
51
52
53
54
55
56
57
58
58a
58b
58c
58d
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
By-product
Waste
Waste
Input
R2
693 kg
100
100
25.0
25.0
25.0
25.0
25.0
25.0
25.0
25.0
100
100
25.0
25.0
25.0
100
100
100
25.0
25.0
25.0
25.0
25.0
25.0
135
135
135
25.0
25.0
25.0
100
100
lime
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 s
1.00 s
1.00 s
1.00 g
1.00 l
1.00 l
1.00 l
1.00 g
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
1.00 l
NA
0.130
2307
2307
2307
950
1358
1358
696
696
882
882
-661
221
-221
221
2.52E+05
1.29E+04
1.29E+04
1.29E+04
1290
950
561
561
136
136
136
9.30
9.30
-9.30
7.35
7.35
7.35
126
0
0
0
NA
NA
0
0.217 -4.34E03
1447
1447
1447
904
543
543
543
543
221
221
0
0
0
221
0
-221
0
221
2.51E+05
0
1.19E+04 1031
1.19E+04 1031
1.19E+04 1031
1226
904
543
543
92.1
97.9
0 0.430
126
126
126
126
126
126
126
85.7 NA
94.8
0.296
0.509
72.6 652
72.6 652
72.6 652
45.4
27.2 652
27.2 652
18.1
18.1
9.07 652
9.07 652
-9.07 -652
6.43
NA
0
0.300
9.30
9.30
9.30
0 9.68
679 35.0
63.5
45.4
18.1
18.1
9.30
9.30
9.30
9.30
126
126
126
organic waste
calcium salt
calcium
chlorite
Acetic acid
Calcium
dichloride
Calcium
hydroxide
lime
allyl trichloride
Hydrogen
chloride
Dichlorohydrin
Hypochlorous
acid
Epichlorohydri
n
Water
Chlorine
Allyl Chloride
Total Flow
Phase
Temp [C]
Streams
Comments
Per pass conversion

:
Total yield from reactor :
Reactor Convergence
126
21
0
7.35
7.35
7.35
9.30
9.30
9.30
9.30
9.30
0 -9.30
78 100
79 100
IntoMixTankb
r1 stoich.
:
:
:
:
0
12.4
2450
-1.00
-223
-12.4
0 693
1.00
-693
12.4
0
1.00
916
organic waste
calcium salt
calcium
chlorite
Acetic acid
Calcium
dichloride
Calcium
hydroxide
lime
allyl trichloride
Hydrogen
chloride
Dichlorohydrin
Hypochlorous
acid
Epichlorohydri
n
Water
Chlorine
Allyl Chloride
is lost in rxn 2
is lost in rxn 3
3144
916
12.4
:
:
:
:
:
:
:
:
:
:
:
1.00 l
1.00 l
r1 kg/hr
(additional rxn) kg/hr
80 100
1.00
81 100
1.00
82 100
1.00
83 100
1.00
84 100
1.00
Total Flow
Phase
Temp [C]
Streams
Comments
kg
kg
Input to reactor
1
R2 Conversion 1
[kgmol/hr]
2
R2 Conversion 2
[kgmol/hr]
3
R2 Conversion 3
[kgmol/hr]
Flow out of reactor
Primary product
Total conversion
Per pass conversion
Total yield from reactor
Reactor Convergence
3144
0
Calcium hydroxide
-0
1401
1401
0
l
l
l
l
l
1103
1103
1111
1111
80.1
2228
-0
0.0846 NA
9.09
100
-0.0539
0
NA
0
0
993
0
993
0 2.51E+05
2.00
0
0
220
6.99
72.8
72.8
72.8
72.8
72.8
0
1031
1031
1031
1031
NA
0
NA
NA
0
0
32.1 446
2.00
-446
-25.7
0
0
0
100 NA
NA
NA
100 NA
100 NA
0
0 3.93E0
0
03
408
0
0
408
0
0
0
0
472
0
0
-1.00 1.00
-453 679
-19.1 0.503 35.0
-0 NA
0
7.35
0
0
0
0
-7.35 9.68
7.35
7.35
7.35
22
NA
Main product
Waste
Waste
Input Sum
Fugitive Replacement of
Reactants
Total Input (Input +
g
Fugitive Replacement)
Product Sum
Main product flow
Net Input (in - out, omitting
fugitives)
1.18E+04
1.18E+04
0 -1.18E+04
0
1031
1031
72.8
0
684
1.19E+04
-4.34
0
45.4
1.00
-1.00
NA
3.53E+05
0 -10.3
-0.161
organic waste
0
0
30.6
30.6
0 -30.6
2.23
0
0
0.161
0 -0.0735
0 693
0
0
7.35
0 693
7.35
9.07 1331 35.0

0
0
0
0
0
0
0
0
0
868 2.63E+05
2.66E+05
899
868 2.63E+05
0.161
2393
1000
4.11
0
0
1000
1000
0
0
0
0
0
0
-1.00 0.500
881
18.7
0
0
7.35
2.66E+05
18.9
0
0
1031
1000
1000
-1000
1.00
NA
calcium salt
calcium
chlorite
Acetic acid
Calcium
dichloride
Calcium
hydroxide
lime
allyl trichloride
Hydrogen
chloride
Dichlorohydrin
Hypochlorous
acid
Epichlorohydri
n
Water
Chlorine
Allyl Chloride
Total Flow
Phase
Temp [C]
Streams
Comments
Waste
85 100
1.00 l
1.18E+04
86 100
1.00 l
1.18E+04
87 25.0
1.00 l
-1.18E+04
0
88 100
1.00 l
1031
89 100
1.00 l
1031
90 100
1.00 l
80.1
91 115
1.00 l
1031
92 115
1.00 l
1000
93 115
1.00 l
1000
94 25.0
1.00 l
-1000
0
95 115
1.00 l
30.6
96 115
1.00 l
30.6
97 25.0
1.00 l
-30.6
0
98 25.0
1.00 l
729
100 100
1.00 g
1.19E+04
Product purity (%)
100
Main product
Epichlorohydrin
Overall Rxn coefficients
-1.00
Total yield of process (from reactant)
92.0
Fugitive Losses (Total) g
-35.8 -18.7
23
18.0
0
0
0
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
9932
-9932
4707
-4707
18.9
-18.9
283
-283
2.04E+04
-2.04E+04
1.79E+05
-1.79E+05
3376
-3376
3791
-3791
73.0
-73.0
6.93
-6.93
15.0
-15.0
2466
-2466
2.51E+04
-2.51E+04
1.04E+04
-1.04E+04
6904
-6904
870
-870
18.7
-18.7
3.69E+05
-3.69E+05
3791
Water
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
Steam
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
50.0
20.0
Total Flow
Temp [C]
C1
C2
C2a
C2b
C3
C4
C5
C6
C7
C8
C9
C10
C11
C12
C13
C14
C15
C16
C17
C18
C19
C20
C21
C22
C23
C24
C25
C26
C26a
C26b
C27
C28
C29
C30
C31
C32
C33
Phase
Streams
Comments
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
Cooling out
Input
9932
-9932
4707
0
-4707
18.9
0
-18.9
283
0
-283
2.04E+04
0 -2.04E+04
1.79E+05
0 -1.79E+05
3376
0
-3376
3791
0
-3791
73.0
0
-73.0
6.93
0
-6.93
15.0
0
-15.0
2466
0
-2466
2.51E+04
0 -2.51E+04
1.04E+04
0 -1.04E+04
6904
0
-6904
870
0
-870
18.7
0
-18.7
3.69E+05
0 -3.69E+05
3791
0
24
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
l
-3791
272
-272
7.67
-7.67
1.93E+04
-1.93E+04
47.4
-47.4
427
-427
2160
-2160
1.85E+04
-1.85E+04
365
-365
4.90
-4.90
6.63
-6.63
700
-700
0.696
-0.696
942
-942
13.6
-13.6
628
-628
367
-367
0
272
-272
7.67
-7.67
1.93E+04
-1.93E+04
47.4
-47.4
427
-427
2160
-2160
1.85E+04
-1.85E+04
365
-365
4.90
-4.90
6.63
-6.63
700
-700
0.696
-0.696
942
-942
13.6
-13.6
628
-628
367
-367
Water
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
Steam
50.0
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
207
Total Flow
Temp [C]
C34
S1
S2
S3
S4
S5
S6
S7
S8
S9
S10
S11
S12
S13
S14
S15
S16
S17
S18
S19
S20
S21
S22
S23
S24
S25
S26
S27
S28
S28a
S28b
S29
S30
Phase
Streams
Comments
Cooling out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
Input
Steam out
-3791
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
25
Graph of Cumulative Chemical Losses through Manufacturing Process

Cumulative Chemical Loss
100
90
80
kg chemical loss / hr
70
60
50
40
30
20
10
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
32a
32b
32c
32d
33
34
35
36
37
38
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
58a
58b
58c
58d
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
100
Fu
Process Stream
26
Graph of Cumulative Contaminated Water Use / Emission through Manufacturing Process

Cumulative Contaminated Water Use
300,000
kg contaminated water / hr
250,000
200,000
150,000
100,000
50,000
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
32a
32b
32c
32d
33
34
35
36
37
38
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
58a
58b
58c
58d
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
100
Process Stream
27
Graph of Cumulative Non-Contaminated Water Use / Emission through Manufacturing Process
Cumulative Non-Contamintated Water Use

800,000
700,000
kg non-contaminated water / hr
600,000
500,000
400,000
300,000
200,000
100,000
C1
C2
C2a
C2b
C3
C4
C5
C6
C7
C8
C9
C10
C11
C12
C13
C14
C15
C16
C17
C18
C19
C20
C21
C22
C23
C24
C25
C26
C26a
C26b
C27
C28
C29
C30
C31
C32
C33
C34
S1
S2
S3
S4
S5
S6
S7
S8
S9
S10
S11
S12
S13
S14
S15
S16
S17
S18
S19
S20
S21
S22
S23
S24
S25
S26
S27
S28
S28a
S28b
S29
S30
Process Stream
28
Energy Input for each Unit Process, Cumulative Energy Requirements, Cooling Requirements (exotherms),
and Assumed Heat Recovery from Hot Streams Receiving Cooling
442
442
55.0 S
E
R1
DiG
Blower 2
Blower 1
Heat exchanger 2
Pump 4
Heat exchanger 3
Pump 2
Pump 5
0.325
443
2.58
445
12.5
458
16.2
474
3.13E+04 3.18E+04
16.4 3.18E+04
0.0867 3.18E+04
E
E
55.0 S
E
55.0 S
E
E
Hx5
Hx6
R3
Hx8
Hx9
Hx10
Dis
P42
P13
P12
Pump 42
Pump 13
Pump 12
16.3 3.18E+04
16.3 3.18E+04
1.42E-07 3.18E+04
E
E
E
Hx12
Hx13
DiN
Hx4
DiG
Heat exchanger 4
Distillation reboiler G
77.0 3.19E+04
693 3.26E+04
157 S
155 S
Hx15
DiQ
P6
Pump 6
1.04E-03 3.26E+04
P7
P17
P18
P19
P20
R2
Hx7
P22
P23
P25
Pump 7
Pump 17
Pump 18
Pump 19
Pump 20
Reactor 2
Heat exchanger 7
Pump 22
Pump 23
Pump 25
0.0857
0.145
0.0817
0.102
0.201
3511
3.01E+04
0.359
0.136
0.110
3.26E+04
3.26E+04
3.26E+04
3.26E+04
3.26E+04
3.61E+04
6.62E+04
6.62E+04
6.62E+04
6.62E+04
E
E
E
E
E
100 S
100 S
E
E
E
DiR
Hx17
Hx18
Hx19
Hx20
Reactor 1
Distillation condenser
G
Heat exchanger 5
Heat exchanger 6
Reactor 3
Heat exchanger 8
Heat exchanger 9
Heat exchanger 10
s
Heat exchanger 12
Heat exchanger 13
N
Heat exchanger 15
Q
R
Heat exchanger 17
Heat exchanger 18
Heat exchanger 19
Heat exchanger 20
29
Cumulative
recovered [MJ
/ 1000 kg
Product]
Energy
Recovered
Tef [C] (for

recovery
efficiency)
Recovery
Efficiency
Cumulative
cooling water
energy
Energy Loss
Unit
Process
diagram label
Blw2
Blw1
Hx2
P4
Hx3
P2
P5
442
0.0543
To [C]
(Used to
determine
Type
Energy
energy type)
Heat exchanger 1
Pump 1
Cumulative
energy [MJ /
1000 kg
Product]
Unit
Hx1
P1
Cooling Requirements [MJ / batch]
Energy input
[MJ / 1000 kg
Product]
Process
Diagram Label
Energy Input [MJ / batch]
-1467
-695
-1467
-2162
55.0
155
0
0.450
0
-313
0
-313
-2.79
-41.9
-3010
-2.64E+04
-499
-560
-10.8
-2164
-2206
-5216
-3.16E+04
-3.21E+04
-3.27E+04
-3.27E+04
157
157
100
100
100
100
135
0.450
0.450
0.250
0.250
0.250
0.250
0.250
-1.26
-18.8
-752
-6596
-125
-140
-2.69
-314
-333
-1085
-7681
-7806
-7946
-7948
-1.02
-2.21
-364
-3.27E+04
-3.27E+04
-3.30E+04
135
135
116
0.250
0.250
0.250
-0.256
-0.553
-91.0
-7949
-7949
-8040
-3704
-1533
-3.67E+04
-3.83E+04
100
98.9
0.250
0.250
-926
-383
-8966
-9350
-1019
-3.93E+04
116
0.250
-255
-9604
-128
-2.76
-3.17E+04
-560
-3.94E+04
-3.94E+04
-7.11E+04
-7.17E+04
115
115
55.1
100
0.250
0.250
0
0.250
-32.1
-0.689
0
-140
-9637
-9637
-9637
-9777
P26
Cnv2
Dry1
P27
P28
P29
Hx11
DiS
P44
P45
DiN
Hx14
P31
P32
P36
P48
DiQ
P33
P34
Hx16
P37
P38
P8
P9
P10
P11
Cnv1
Dry2
MxE1
MxE2
MxE3
MxE4
Pump 26
Conveyer 2
Dryer 1
Pump 27
Pump 28
Pump 29
Heat exchanger 11
Distillation reboiler S
Pump 44
Pump 45
Distillation reboiler N
Heat exchanger 14
Pump 31
Pump 32
Pump 36
Pump 48
Distillation reboiler Q
Pump 33
Pump 34
Heat exchanger 16
Pump 37
Pump 38
Pump 8
Pump 9
Pump 10
Pump 11
Conveyer 1
Dryer 2
Mixer electricity 1
Mixer electricity 2
Mixer electricity 3
Mixer electricity 4
Potential recovery
Net energy
0.157
3.70E-03
593
0.0403
0.0324
7.83E-03
7.97
10.8
5.37E-04
7.30E-03
1137
1.13
0.0641
0.0646
0.140
4.24E-04
1531
0.0598
4.63E-03
22.1
0.0579
1.77E-03
1.93
0.954
1.29
0.125
3.93E-03
596
0.817
0.758
0.201
182
-9777
6.62E+04
6.62E+04
6.68E+04
6.68E+04
6.68E+04
6.68E+04
6.68E+04
6.68E+04
6.68E+04
6.68E+04
6.80E+04
6.80E+04
6.80E+04
6.80E+04
6.80E+04
6.80E+04
6.95E+04
6.95E+04
6.95E+04
6.95E+04
6.95E+04
6.95E+04
6.95E+04
6.95E+04
6.95E+04
6.95E+04
6.95E+04
7.01E+04
7.01E+04
7.01E+04
7.01E+04
7.03E+04
6.05E+04
6.05E+04
100
110
135
116
100
98.9
115
100
E
E
S
E
E
E
S
S
E
E
S
S
E
E
E
E
S
E
E
S
E
E
E
E
E
E
E
S
E
E
E
E
Potential recovery:
30
-9777
Electricity
Heating steam
Energy input requirement
Cooling water
Cooling refrigeration
Potential heat recovery
Net energy
258 E [MJ/hr]
7.01E+04 S [MJ/hr]
7.03E+04 [MJ/hr]
-7.17E+04 [MJ/hr]
[MJ/hr]
-9777 [MJ/hr]
6.05E+04 [MJ/hr]
31
Start
Heat exchanger 1
Pump 1
Blower 2
Blower 1
Heat exchanger 2
Pump 4
Heat exchanger 3
Pump 2
Pump 5
Pump 42
Pump 13
Pump 12
Heat exchanger 4
Distillation reboiler G
Pump 6
Pump 7
Pump 17
Pump 18
Pump 19
Pump 20
Reactor 2
Heat exchanger 7
Pump 22
Pump 23
Pump 25
Pump 26
Conveyer 2
Dryer 1
Pump 27
Pump 28
Pump 29
Heat exchanger 11
Distillation reboiler S
Pump 44
Pump 45
Distillation reboiler N
Heat exchanger 14
Pump 31
Pump 32
Pump 36
Pump 48
Distillation reboiler Q
Pump 33
Pump 34
Heat exchanger 16
Pump 37
Pump 38
Pump 8
Pump 9
Pump 10
Pump 11
Conveyer 1
Dryer 2
Mixer electricity 1
Mixer electricity 2
Mixer electricity 3
Mixer electricity 4
Potential recovery
MJ / hr
Graph of Cumulative Energy Requirements
Cumulative Energy Input
80,000
70,000
60,000
50,000
40,000
30,000
20,000
10,000
Process Unit
32

ExecSum - V4 - Epichlorohydrin From Allyl Chloride - 106 89 8 - 2010 10 03 - 2010 10 04 - 15 17

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ExecSum - V4 - Epichlorohydrin From Allyl Chloride - 106 89 8 - 2010 10 03 - 2010 10 04 - 15 17

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Epichlorohydrin from allyl chloride [106-89-8]

CONTENTS OF FACTORY GATE TO FACTORY GATE

Checked for database consistency on

allyl trichloride, Calcium dichloride, Epichlorohydrin

CH2ClCHClCH2OH (2 Isomers) [Rxn 2]

C3H5ClO + 1/2 CaCl2 + H2O

+ Cl2 + 1/2 CaO +1/2 H2O C3H5ClO

Net (with neutralization)

+ Cl2 + CaO C3H5ClO

Epichlorohydrin is formed from allyl chloride through a series of reactions and

Total yield of Epichlorohydrin in Process:

Yield from allyl

Summary of LCI Information

Net input requirement

Process Diagram Interpretation Sheet

Process Diagram or Boundary of LCI

Fugitive Losses (Total) (g)

Replacement of Fugitive Losses

Mass Balance of Chemicals in Each Process Stream

All flow rates are given in kg / hr

37.7 442 1469

Per pass conversion

9.07 1331 35.0

Graph of Cumulative Chemical Losses through Manufacturing Process

Graph of Cumulative Contaminated Water Use / Emission through Manufacturing Process

Graph of Cumulative Non-Contaminated Water Use / Emission through Manufacturing Process

Cumulative Non-Contamintated Water Use

Tef [C] (for

Cooling Requirements [MJ / batch]

Energy Input [MJ / batch]

Graph of Cumulative Energy Requirements

Cumulative Energy Input

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