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Reaction Path
Catalytic oxidation of o-xylene to phthalic anhydride
EVALUATION STAGE 2
Assumptions
Feed:
95% by weight o-xylene feed
Filtered air (approximately 23% oxygen and 77% nitrogen gas)
Sulphur dioxide (0.5-2.5% by weight of xylene)
Note:
Only o-xylene can form PAN
PAN plant production capacity is 90,000 metric tons per year
Weight ratio of air to xylenes is 25, equivalently 1 mole % xylene (<1.5)
Assumptions
Conversion in Reactor:
All are with respect to 1 kg of 95% o-xylene feed
1.01 kg of PAN (Theoretical max = 1.03)
0.08 kg of Maleic Anhydride
0.007 kg of Benzoic Acid
0.5 kg of Carbon Dioxide
0.15 kg of Carbon Monoxide
Mass balance will give you amount of Water produced
Data taken from literature, based on actual BASF plant operation
Assumptions
Purification in Pretreatment tank:
Exhaust from Tank contains (wrt input of same component)
0.5% of PAN - lost in exhaust
5% of Maleic Anhydride
100% of Water
Purification in Stripper:
Liquid output from bottom of Stripper contains (wrt input of same component)
99.5% of PAN - retained
5% of Maleic Anhydride
Assumptions
Purification in Rectifier:
Condensed Output from top of Rectifier contains (wrt input of same component)
99.9% of PAN - retained
Note:
All other particulate impurities are removed here
No Maleic Anhydride is lost in this stage
Final purity is 99.8% PAN (0.2% by weight of Maleic Anhydride)
Mass Balance-MANUAL
Compounds
Reactor Feed
(4)
Reactor
Product (5)
Input to
Condensor (6)
Sulphur Dioxide
421989.2
421989.2
Carbon Monoxide
Carbon Dioxide
Crude
Product (7)
Condensor
off-gas (8')
Scrubber
Feed (8)
421989.2
421989.2
421989.2
13561817.3
13561817.3
13561817.3
13561817.3
46834614.2
46834614.2
46834614.2
46834614.2
1743184193.1
1743184193.1
406138003.5
406138003.5
Nitrogen
1743611132
1743611132
1743611132
Oxygen
529702877.7
406138003.5
406138003.5
Phthalic Anhydride
93031913.4
93031913.4
90961567.5
2070345.9
2070345.9
90961567.5
Maleic Anhydride
7323554.6
7323554.6
3420463.8
3903090.8
3903090.8
3420463.8
Benzoic Acid
641027.6
641027.6
388576.6
252451.0
252451.0
388576.6
421989.2
421989.2
421989.2
o-Xylene
87845529.9
m- & p-Xylene
4140691.7
Particulate
426939.2
Pretreatment
Tank Feed (11)
426939.2
421989.2
Water
24710499.8
78446679.5
78446679.5
26999884.1
51446795.4
78446679.5
26999884.1
Total (kg/hr)
2390432721
2390432721
2390432721
122619420.4
2267813300
2294813184
122619420.4
Mass Balance
Compounds
Pretreament
Exhaust (12)
Pretreament
Crude (13)
Stripper
Feed (13)
Stripper waste
to Incinerator
Rectifier
Feed (16)
Rectifier waste to
Incinerator (19)
Refined
PAN (20)
90363.9
90000000
Sulphur Dioxide
Carbon Monoxide
Carbon Dioxide
Nitrogen
426939.2
Oxygen
Phthalic Anhydride
393526.6
90568040.9
90568040.9
477676.9
90090364.0
Maleic Anhydride
180675.7
3239788.1
3239788.1
3077798.7
161989.4
388576.57
388576.57
388576.57
421989.2
421989.2
94618394.8
94618394.8
Benzoic Acid
161989.4
o-Xylene
m- & p-Xylene
Particulate
Water
26999884.1
Total (kg/hr)
28001025.6
3944052.2
421989.2
421989.205
90674342.6
512327.07
90162016
ASPEN FLOWSHEET
DSTWU-RADFRAC COLUMN-DISTILL-1
DSTWU-RADFRAC COLUMN-DISTILL-1
Units
1
2
3
4
5
6
7
8
9
10
From
COMP1
HEATER1
MIX-1
REACT1
COOLER1
FLASH1
FLASH1
COOLER2
To
COMP1
HEATER1
MIX-1
MIX-1
REACT1
COOLER1
FLASH1
COOLER2
MIX-2
FLASH2
Substream: MIXED
Phase:
Vapor
Liquid
Vapor
Vapor
Vapor
Vapor
Vapor
Vapor
Liquid
Mixed
Component Mole Flow
WATER
KMOL/HR
0.00
0.00
0.00
0.00
0.00
347.09
347.09
345.50
1.59
345.50
O-XYL-01 KMOL/HR
0.00
99.17
0.00
99.17
99.17
0.00
0.00
0.00
0.00
0.00
OXYGE-01 KMOL/HR
471.06
0.00
471.06
0.00
471.06
0.00
0.00
0.00
0.00
0.00
CARBO-01 KMOL/HR
0.00
0.00
0.00
0.00
0.00
39.67
39.67
39.67
0.00
39.67
MALEI-01 KMOL/HR
0.00
0.00
0.00
0.00
0.00
9.92
9.92
8.53
1.39
8.53
PHTHA-01 KMOL/HR
0.00
0.00
0.00
0.00
0.00
69.42
69.42
20.37
49.05
20.37
CARBO-02 KMOL/HR
0.00
0.00
0.00
0.00
0.00
158.67
158.67
158.65
0.02
158.65
BENZE-01 KMOL/HR
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
NITRO-01 KMOL/HR
1884.22
0.00
1884.22
0.00
1884.22
1884.22
1884.22
1884.19
0.04
1884.19
M-XYL-01 KMOL/HR
0.00
2.61
0.00
2.61
2.61
2.61
2.61
2.58
0.03
2.58
P-XYL-01 KMOL/HR
0.00
2.61
0.00
2.61
2.61
2.61
2.61
2.58
0.03
2.58
TOLUE-01 KMOL/HR
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
ETHYL-01 KMOL/HR
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
BENZO-01 KMOL/HR
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
PHTHA-02 KMOL/HR
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
Mole FlowKMOL/HR
2355.28
104.39
2355.28
104.39
2459.67
2514.21
2514.21
2462.06
52.15
2462.06
Mass FlowKG/HR
67856.85
11082.72
67856.85
11082.72
78939.57
78939.57
78939.57
71501.79
7437.78
71501.79
Volume Flow
L/MIN
969062.00
210.52
563606.00
33388.57
641740.00
989624.00
731262.00
503410.00
105.14
646283.00
Temperature
C
24.85
24.85
141.17
300.00
178.73
380.00
210.00
170.00
170.00
110.00
Pressure BAR
1.00
1.00
2.40
2.40
2.40
2.30
2.30
3.00
3.00
2.00
Vapor Fraction
1.00
0.00
1.00
1.00
1.00
1.00
1.00
1.00
0.00
0.99
Liquid Fraction
0.00
1.00
0.00
0.00
0.00
0.00
0.00
0.00
1.00
0.01
Solid Fraction
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
Molar Enthalpy
CAL/MOL
-2.97
-5621.38
810.75
16455.83
1474.74
-14109.88
-15623.74
-14537.10
-99871.09
-15166.74
Mass Enthalpy
CAL/GM
-0.10
-52.95
28.14
155.00
45.95
-449.40
-497.61
-500.56
-700.22
-522.25
Enthalpy Flow
CAL/SEC
-1942.27
-163000.00
530431.00
477169.00
1007600.00
-9854200.00
-10912000.00
-9942000.00
-1446700.00
-10373000.00
Molar Entropy
CAL/MOL-K
1.00
-106.80
1.58
-56.03
-0.43
3.89
1.21
0.63
-67.89
-0.09
Mass Entropy
CAL/GM-K
0.03
-1.01
0.05
-0.53
-0.01
0.12
0.04
0.02
-0.48
0.00
Molar Density
MOL/CC
0.00
0.01
0.00
0.00
0.00
0.00
0.00
0.00
0.01
0.00
Mass Density
GM/CC
0.00
0.88
0.00
0.01
0.00
0.00
0.00
0.00
1.18
0.00
Average Molecular Weight 28.81
106.17
28.81
106.17
32.09
31.40
31.40
29.04
142.63
29.04
Units
11
From
FLASH2
To
MIX-2
Substream: MIXED
Phase:
Liquid
Component Mole Flow
WATER
KMOL/HR
2.00
O-XYL-01 KMOL/HR
0.00
OXYGE-01 KMOL/HR
0.00
CARBO-01 KMOL/HR
0.00
MALEI-01 KMOL/HR
3.08
PHTHA-01 KMOL/HR
19.26
CARBO-02 KMOL/HR
0.01
BENZE-01 KMOL/HR
0.00
NITRO-01 KMOL/HR
0.01
M-XYL-01 KMOL/HR
0.03
P-XYL-01 KMOL/HR
0.03
TOLUE-01 KMOL/HR
0.00
ETHYL-01 KMOL/HR
0.00
BENZO-01 KMOL/HR
0.00
PHTHA-02 KMOL/HR
0.00
Mole FlowKMOL/HR
24.42
Mass FlowKG/HR
3197.71
Volume Flow
L/MIN
43.01
Temperature
C
110.00
Pressure BAR
2.00
Vapor Fraction
0.00
Liquid Fraction
1.00
Solid Fraction
0.00
Molar Enthalpy
CAL/MOL ########
Mass Enthalpy
CAL/GM
-772.32
Enthalpy Flow
CAL/SEC
########
Molar Entropy
CAL/MOL-K
-70.29
Mass Entropy
CAL/GM-K
-0.54
Molar Density
MOL/CC
0.01
Mass Density
GM/CC
1.24
Average Molecular Weight
130.95
12
13
14
FLASH2
MIX-2
HEATER2 DIST1
HEATER2 DIST1
Vapor
Mixed
Mixed
Vapor
15
18
19
20
21
DIST1
DIST1
DIST2
DIST2
DIST2
Liquid
Liquid
Liquid
Liquid
343.50
3.60
3.60
3.53
0.07
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
39.67
0.00
0.00
0.00
0.00
0.00
0.00
0.00
5.45
4.47
4.47
2.41
1.46
0.60
0.54
0.06
1.11
68.31
68.31
0.00
0.00
68.31
2.00
66.30
158.64
0.03
0.03
0.03
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
1884.18
0.04
0.04
0.04
0.00
0.00
0.00
0.00
2.55
0.06
0.06
0.06
0.00
0.00
0.00
0.00
2.55
0.05
0.05
0.05
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
2437.64
76.57
76.57
6.13
1.53
68.91
2.55
66.36
68304.08 10635.49 10635.49
314.35
144.43 10176.71
350.39
9826.32
########
155.14
172.77
3753.70
2.04
160.47
5.23
150.73
110.00
151.96
190.00
174.02
174.02
279.76
221.81
255.02
2.00
2.00
2.00
1.00
1.00
1.00
0.50
0.50
1.00
0.00
0.00
1.00
0.00
0.00
0.00
0.00
0.00
1.00
1.00
0.00
1.00
1.00
1.00
1.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
-14305.55 ######## -98202.98 -68500.90 ######## -94485.42 -98687.45 -96057.55
-510.54
-721.90
-706.99
-1334.79
-1076.15
-639.80
-718.13
-648.72
######## ######## ######## ######## -43174.96 ######## -69895.76 ########
0.61
-68.49
-63.83
-12.44
-48.09
-56.61
-58.54
-59.79
0.02
-0.49
-0.46
-0.24
-0.51
-0.38
-0.43
-0.40
0.00
0.01
0.01
0.00
0.01
0.01
0.01
0.01
0.00
1.14
1.03
0.00
1.18
1.06
1.12
1.09
28.02
138.90
138.90
51.32
94.32
147.68
137.42
148.07
FLASH-1
MAL-V
PTH-L
70
60
50
40
30
20
10
0
0
50
100
150
TEMPERATURE(C)
200
250
Molar Flow
20
15
MAL-V
PTH-L
10
0
0
20
40
60
80
Temperature
100
120
140
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
stream 18
MAVAP
PAVAP
stream 19
MALIQ
PALIQ
stream15
MAVAP1 PAVAP1
1
P-SPEC PRES
BAR
KMOL/HR
KMOL/HR KMOL/HR KMOL/HR KMOL/HR KMOL/HR
0.2
1.49165342 1.39E-14
0.60483 68.30635 2.375104 1.23E-15
0.328571429
1.48330447 7.68E-14 0.604829 68.30635 2.383453 7.86E-15
0.457142857
1.47679637 2.48E-13 0.604829 68.30635 2.389961 2.80E-14
0.585714286
1.47133548 6.10E-13 0.604829 68.30635 2.395422 7.43E-14
0.714285714
1.46656806 1.27E-12 0.604829 68.30635
2.40019 1.65E-13
0.842857143
1.4623006 2.38E-12 0.604829 68.30635 2.404457 3.24E-13
0.971428571
1.45841412 4.10E-12 0.604829 68.30635 2.408344 5.84E-13
1
1.45759105 4.59E-12 0.604829 68.30635 2.409167 6.60E-13
1.1
1.45482964 6.64E-12 0.604828 68.30635 2.411929 9.86E-13
1.22857143
1.45149163 1.03E-11 0.604828 68.30635 2.415267 1.58E-12
1.35714286
1.4483597 1.53E-11 0.604827 68.30635
2.4184 2.43E-12
1.48571429
1.44540227 2.21E-11 0.604827 68.30635 2.421358 3.61E-12
1.61428571
1.44259599 3.10E-11 0.604826 68.30635 2.424165 5.22E-12
1.74285714
1.43992158 4.27E-11 0.604826 68.30635
2.42684 7.36E-12
1.87142857
1.4373634 5.76E-11 0.604825 68.30635 2.429399 1.02E-11
2
1.4349087 7.64E-11 0.604824 68.30635 2.431854 1.38E-11
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
0.2
0.614286
1.028571
1.442857
1.779
1.857143
2.271429
2.685714
3.1
3.514286
3.928571
4.342857
4.757143
5.171429
5.585714
6
stream18
MAVAP
PAVAP
stream 19
MALIQ
PALIQ
stream15
MAVAP1 PAVAP1
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
Stream18
PAVAP
MAVAP
Stream19
PALIQ
MALIQ
stream 15
MAVAP1 PAVAP1
VARY 1
DIST1
14
FEEDS STAGE
KMOL/HR KMOL/HR KMOL/HR KMOL/HR KMOL/HR KMOL/HR
2.31754 0.077593
2 1.056122 0.415502 1.097925 67.81325
3 1.375441 0.085281 0.702869 68.20831 2.393277 0.012759
4 1.445206 0.012868 0.619559 68.29162 2.406822 0.001862
5 1.455911 0.001747 0.606829 68.30435 2.408847 0.000252
3.35E-05
6 1.457371 0.000233 0.605096 68.30608 2.409121
4.44E-06
3.08E-05 0.604865 68.30631 2.409158
7 1.457564
5.88E-07
4.08E-06 0.604834 68.30634 2.409163
8 1.457589
7.79E-08
0.60483 68.30635 2.409164
5.41E-07
9 1.457593
1.04E-08
0.60483 68.30635 2.409164
7.20E-08
10 1.457593
1.38E-09
0.60483 68.30635 2.409164
9.61E-09
11 1.457593
1.87E-10
0.60483 68.30635 2.409164
1.30E-09
12 1.457593
2.60E-11
0.60483 68.30635 2.409164
1.81E-10
13 1.457593
3.86E-12
2.68E-11 0.604829 68.30635 2.409164
14 1.457593
6.59E-13
4.58E-12 0.604829 68.30635 2.409165
15 1.457593
1.48E-13
1.03E-12 0.604822 68.30635 2.409172
16 1.457593
5.94E-14
4.13E-13 0.604759 68.30635 2.409233
17 1.457596
18 1.421642 0.037375 0.646849 68.26351 2.403095 0.005468
19 1.060632 0.411247 1.080893 67.81816 2.330061 0.076947
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
Stream18
MAVAP
PAVAP
Stream19
MALIQ
PALIQ
stream 15
MAVAP1 PAVAP1
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
PTHD
PTHB
MALB
KMOL/HR
2.287792
2.20824
2.128382
2.050687
2.005036
1.98929
1.959259
1.949413
1.946447
1.945488
1.945143
1.945006
1.944946
1.944917
1.944903
1.944896
KMOL/HR
66.01856
66.09811
66.17797
66.25566
66.30131
66.31706
6.63E+01
6.64E+01
6.64E+01
6.64E+01
6.64E+01
6.64E+01
6.64E+01
6.64E+01
6.64E+01
6.64E+01
KMOL/HR
0.342907
0.263356
0.183498
0.105803
0.060152
0.044406
0.014375
0.004529
0.001562
0.000604
0.000259
0.000122
6.17E-05
3.34E-05
1.91E-05
1.15E-05
PTHB/(MA
LB+PTHB)
0.994832734
0.99603149
0.997234872
0.998405656
0.999093567
0.999330842
0.999783388
0.999931749
0.999976455
0.999990904
0.999996098
0.999998168
0.99999907
0.999999496
0.999999712
0.999999826
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
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
OK
MALD/MAL
IN
0.999259883
0.999267304
0.999267105
0.99926573
0.999263902
0.999261818
0.999259331
0.999256338
0.999252785
0.999248584
0.999243617
0.999237721
0.99923075
0.999222452
0.999212613
0.999200852
0.999186836
0.999169972
0.999149706
0.999125063
0.999095051
0.999057939
0.999011769
0.998953112
0.99887755
0.998775814
0.998637767
0.998439169
0.918794788
0.919608937
0.919587193
0.919436271
0.919235643
0.919007062
0.918734207
0.9184058
0.918015993
0.917555023
0.917010037
0.916363151
0.915598306
0.914687814
0.913608278
0.91231789
0.910780097
0.908929779
0.906706199
0.904002367
0.900709445
0.896637583
0.891571803
0.885136007
0.876845429
0.865682974
0.850536491
0.828746492
Status
VARY 1
DIST2
PARAM
NSTAGE
1 OK
2 OK
3 OK
4 OK
5 OK
6 OK
7 OK
8 OK
9 OK
10 OK
11 OK
12 OK
13 OK
14 OK
15 OK
16 OK
17 OK
18 OK
19 OK
20 OK
21 OK
22 OK
23 OK
24 OK
25 OK
26 OK
PTHIN
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
MALIN
No of theo stages
MALD
PTHD
PTHB
MALB
KMOL/HR
KMOL/HR
KMOL/HR
KMOL/HR
KMOL/HR
KMOL/HR
68.30635
0.604829
0.371011
2.178702
66.12765
0.233818
68.30635
0.604829
0.370987
2.178726
66.12762
0.233842
68.30635
0.604829
0.370992
2.17872
66.12763
0.233836
68.30635
0.604829
0.370991
2.178722
66.12763
0.233838
68.30635
0.604829
0.370991
2.178722
66.12763
0.233837
68.30635
0.604829
0.370991
2.178721
66.12763
0.233837
68.30635
0.604829
0.370991
2.178721
66.12763
0.233837
68.30635
0.604829
0.370991
2.178721
66.12763
0.233837
68.30635
0.604829
0.370991
2.178721
66.12763
0.233837
68.30635
0.604829
0.370991
2.178721
66.12763
0.233837
68.30635
0.604829
0.370991
2.178722
66.12763
0.233837
68.30635
0.604829
0.370991
2.178722
66.12763
0.233837
68.30635
0.604829
0.370991
2.178722
66.12763
0.233837
68.30635
0.604829
0.370991
2.178722
66.12763
0.233837
68.30635
0.604829
0.370991
2.178722
66.12763
0.233837
68.30635
0.604829
0.370991
2.178722
66.12763
0.233837
68.30635
0.604829
0.445639
2.104073
66.20228
0.159189
68.30635
0.604829
0.480881
2.068831
66.23752
0.123947
68.30635
0.604829
0.5013
2.048412
66.25794
0.103528
68.30635
0.604829
0.514471
2.035242
66.27111
0.090358
68.30635
0.604829
0.523624
2.026088
66.28026
0.081204
68.30635
0.604829
0.530287
2.019425
66.28692
0.074541
68.30635
0.604829
0.535318
2.014394
66.29195
0.06951
68.30635
0.604829
0.539128
2.010585
66.29576
0.065701
68.30635
0.604829
0.542218
2.007495
66.29885
0.06261
68.30635
0.604829
0.544694
2.005019
66.30133
0.060135
PTHB/(MA
LB+PTHB)
MALD/MAL
IN
0.996476604
0.99647624
0.996476328
0.996476303
0.996476307
0.996476308
0.996476308
0.996476308
0.996476308
0.996476308
0.996476308
0.996476308
0.996476308
0.996476308
0.996476308
0.996476308
0.997601182
0.998132239
0.998439935
0.998638398
0.998776334
0.998876737
0.99895255
0.999009954
0.999056524
0.999093833
0.61341492
0.61337491
0.613384538
0.613381794
0.613382286
0.613382428
0.613382427
0.613382398
0.613382399
0.613382401
0.613382384
0.61338237
0.613382358
0.613382345
0.613382331
0.613382317
0.736802978
0.795070304
0.828830554
0.850605785
0.865740034
0.876756146
0.885074291
0.89137269
0.89648226
0.900575849
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