mercaptan

sulphide
disulphide
cyclic sulphide
thiopene
linear olefin
Cyclic olefins
Aromatic saturation
Basis
30000
30000bbl 1 Day 5.6145835ft
3
Day 24 hrs 1 bbl
REACTOR
C-C-S-C-C+2H2 2C-C + H2
C-C-C-C-SH+ H2 C-C-C-C-H + H2S
By knowing the API gravity of diesel at reactor inlet, the mass flow rate of diesel is calculated as follow
Capacity of diesel we selected =
Degrees API0 at 600F = 32.8
Specific Gravity = 141.5 / (32.8 + 131.5) = 0.861
Density of water at 600F = 62.37 lb/ft3
C-C-S-S-C-C + 3H2 2C-C + 2H2S
Reactions occurring in the reactor
Reactions of sulfur compounds
Reactions of olefins saturation
C-C-C-C=C-C-C + H2 C-C-C-C-C-C-C
Density of diesel at 600F = 0.861 x 62.37 = 53.71 lb/ft3
Mass flow rate of diesel at 600F = 7720.0523 x 53.71 =
376641.4lb 0.453592kg
170841.5146 kg/hr
hr 1lb
2425.94951 kg/hr
485.1899014 kg/hr
moles of S molar mass of S mass of S moles of H2
molar
mass of
H2
merceptan 1 32 32 1 2
sulphide 1 32 32 2 2
disulphide 2 32 64 3 2
cyclic
sulphide
1 32 32 2 2
thiophene 1 32 32 4 2
6833.66058 kg/hr
3416.83029 kg/hr
moles of
olefin
molar mass of
olefin
mass of olefin moles of H2
molar
mass of
H2
Linear
Olefin
1 80 84 1 2
Olefin 1 84 80 2 2
Amount of Hydrogen Required
Olefin Saturation Produce =
For Sulfur Compounds
Sulfur Composition in feed = 1.42%
Total feed of diesel entering in reactor = 170842kg/hr
Olefin Saturation
Olefins Composition = 4%
Total feed of diesel entering in reactor = 170842kg/hr
Total Sulfur =
Total sulfur reactions = 5
Sulfur for each reaction =
Halide Removal
Halide composition = 2.5%
Total feed of diesel entering in reactor = 170842kg/hr
Total reactions = 2
For each reaction =
4271.03786 kg/hr
moles of
halide
molar mass of
halide
mass of halide moles of H2
molar
mass of
H2
halide 1 154.5 154.5 1 2
2106.395394 kg/hr
1053.197697 kg/hr
3159.59309 kg/hr
mass of S mass of H2 mass of S
mass of H2S produces
(kg/hr)
merceptan
32 34 485.1899014 515.5142702
sulphide
32 34 485.1899014 515.5142702
disulphide
32 68 485.1899014 1031.02854
cyclic
sulphide 32 34 485.1899014 515.5142702
thiophene
32 34 485.1899014 515.5142702
3093.085621
mass of
compound
mass of C2
mass of
compound
mass of C2 produces
(kg/hr)
sulphide 32 60 485.1899014 909.7310651
disulphide 64 60 485.1899014 454.8655325
1364.596598
C2 produced
H2S produced in the reactor
Total Halides =
Total H2 required for all reactions =
By taking 50% H
2
in excess =
Total H2 entering in reactor =
mass of
compound
mass of C2
mass of
compound
mass of C2 produces
(kg/hr)
merceptan 32 58 485.1899014 879.4066962
cyclic
sulphide
32 58 485.1899014 879.4066962
thiophene 32 58 485.1899014 879.4066962
pyrrole 67 58 1423.679288 1232.438787
3870.658875
mass of
compound
mass of H2O
mass of
compound
mass of C5+ produces
(kg/hr)
phenol 108 18 22209.39689 3701.566149
3701.566149
Feed in= F1 + F2 = 174001.1
feed out = F3 = 174162
H2
F2(kg/hr) 3159.59309
sulphur
compound
2425.949507
nitrogen
compound
4271.037864
olefins 6833.660583
halide 4271.037864
paraffins 108621.035
aromatics 44418.79379
from phenol
Overall Material Balance on reactor
Feed in = Feed out
Water produced in reactor
C4 produced
F1(kg/hr) 170841.5146
pridine
quinoline
pyrrole
bbl/day
7012.5 ft3/hr
376641.375 lb/hr
C-C-S-C-C+2H2 2C-C + H2
C-C-C-C-SH+ H2 C-C-C-C-H + H2S
By knowing the API gravity of diesel at reactor inlet, the mass flow rate of diesel is calculated as follow
C-C-S-S-C-C + 3H2 2C-C + 2H2S
Reactions occurring in the reactor
Reactions of sulfur compounds Reactions of nitrogen compounds
Reactions of olefins saturation
C-C-C-C=C-C-C + H2 C-C-C-C-C-C-C
Reactions of halide
HCl +NH3 NH4Cl
4271
mass of S
mass of
H2
mass of H2
required
(kg/hr)
moles of N
molar
mass of N
485.189901 2 30.3243688 pyridine 1 79
485.189901 4 60.6487377 quinoline 1 129
485.189901 6 45.4865533 pyrrole 1 67
485.189901 4 60.6487377
485.189901 8 121.297475
318.405873
mass of
olefin
mass of
H2
mass of H2
required
(kg/hr)
moles of
aromatic
saturation
molar
mass of
aromatic
saturation
3416.83029 2 81.3531022 aromatics 1 78
3416.83029 4 170.841515 phenol 1
94
252.194617
Amount of Hydrogen Required
Nitrogen Compounds
Nitrogen Composition in feed = 2.5%
Total feed of diesel entering in reactor = 170842kg/hr
Aromatic Saturation
Aromatics Composition = 26%
Total feed of diesel entering in reactor = 170842kg/hr
Total Aromatic Saturation compounds =
Total Nitrogen =
Total nitrogen reactions = 3
Nitrogen for each reaction =
Total Reactions = 2
For each reaction =
mass of
halide
mass of
H2
mass of H2
required
(kg/hr)
4271.03786 2 55.288516
55.288516
mass of
compound
mass of NH3 mass of S
mass of
NH3
produces
(kg/hr)
pyridine 79 17 1423.679 306.3614
quinoline 129 17 1423.679 187.6167
pyrrole 67 17 1423.679 361.2321
855.2101
mass of
compound
mass of
HCl
mass of halides
mass of
HCl
produces
(kg/hr)
halide 154.5 36.5 4271.037864 1009.015
1009.015
108621.035 kg/hr
108621.035 kg/hr
C5+ produced
Paraffin composition = 63.58%
Total feed of diesel entering in reactor = 170842kg/hr
Total paraffins =
C5+ present in paraffins =
HCl produced in reactor
Ammonia produced in the reactor (from N2 removal)
mass of
compound
mass of
C5+
mass of
compound
mass of
C5+
produces
(kg/hr)
pyridine 79 72 1423.679288 1297.53
quinoline 129 116 1423.679288 1280.208
2577.738
mass of
compound
mass of
C5+
mass of
compound
mass of
C5+
produces
(kg/hr)
Linear
Olefin
84 86 3416.830291 3498.183
Olefin 80 84 3416.830291 3587.672
7085.855
174001.108
H2 1053.197697
H2S 3093.085621
NH3 385.257688
NH4Cl 1478.967804
H2O 3701.566149
C2 1364.596598
C4 3870.658875
Overall Material Balance on reactor
Feed in = Feed out
From Olefins Compound
From N2 Compound
Reactor

C5+ 159214.7168
F3
(kg/hr)
174162.0472
Reactions of nitrogen compounds
Reactions of halide
HCl +NH3 NH4Cl
kg/hr
1423.679288 kg/hr
mass of N moles of H2
molar
mass of
H2
mass of N
mass of
H2
mass of
H2
required
(kg/hr)
79 5 2 1423.679 10 180.2126
129 4 2 1423.679 8 88.29019
67 4 2 1423.679 8 169.9916
438.4943
44418.79379 kg/hr
22209.39689 kg/hr
mass of aromatic
saturation
moles of H2
molar
mass of
H2
mass of
olefin
mass of
H2
mass of
H2
required
(kg/hr)
78 1 2 22209.4 2 569.4717
94 1 2 22209.4 2 472.5404
1042.012
Nitrogen Composition in feed = 2.5%
Total feed of diesel entering in reactor = 170842kg/hr
Total feed of diesel entering in reactor = 170842kg/hr
Total Aromatic Saturation compounds =
Total nitrogen reactions = 3
855.2101 kg/hr
17 Kg/kgmole
50.30647 kgmole/hr
Total HCl = 1009.015 kg/hr
molar mass of HCl= 36.5 Kg/kgmole
moles of HCl= 27.64426 kgmole/hr
27.64426 kgmole/hr
1478.968 kg/hr
Free NH3 = 22.66222 Kg/kgmole
Free NH3 = 385.2577 kg/hr
mass of
compound
mass of
C5+
mass of
compound
mass of
C5+
produces
(kg/hr)
aromatics 78 84 22209.4 23917.81
phenol 78 48 22209.4 13667.32
From Aromatic Compounds
Wt of NH4Cl produced =
NH4Cl produced in reactor
Total Ammonia =
molar mass of ammonia=
moles of NH3=
NH4Cl produced =
Ammonia produced in the reactor (from N2 removal)
37585.13
mass of
compound
mass of
C5+
mass of
compound
mass of
C5+
produces
(kg/hr)
halide 154.5 121 4271.038 3344.955
3344.955
159214.7 kg/hr

From Halide Removal
Total C5+ produce =
170841.5146 kJ/hr
325 oC
30 oC
3.5 KJ/kgoC
176393863.8 KJ/hr
Component
Flow
rate-
m(KJ/H
R)
C
p
(Kg/k
g
o
C)
T(
o
C)
H2 1053.198 14.3 355
H2S 3093.086 4.39 355
NH3 385.2577 2.43 355
NH4Cl 1478.968 1.8 355
H2O 3701.566 1.1 355
C2 1364.597 0.59 355
C4 3870.659 3.5 355
C5+ 159214.7 3.5 355
170841.5*3.5*(325-30)
Energy balance around reactor
Mass flow rate of feed = mDiesel = Mass flow rate of H2 = MH2 =
Temperature of feed Tdiesel =
Reference of temperature = TR=
Heat present in feed stream F1
Qin Diesel = mDiesel Cp(Tdiesel-TR) =
Cp at 325oC =
Heat generation in reactor can be calculated as follows
Qgeneration = Qout - Qin
Qin = Qin-Diesel + Qin H2
Qin =Qin(Diesel)+Qin(Hydrogen)
Heat entering in reactor
Heat out from reactor
Qout =Qc5+ +Qc4+Qc2+QNH4Cl+QNH3+QH2S+QH2O+QH2
Total heat of reactor, Total Qout=
Temperature of feed Tdiesel =
Reference of temperature = TR=
Cp at 325oC =
Heat present in H2 Stream F2
Qin-H2 = mH2Cp(T-TR) =
3159.593*14.3*(325-30)
3159.593 kJ/hr
325 oC
30 oC
14.3 KJ/kgoC
13328743 KJ/hr
189722607.2 KJ/hr
TR(
o
C)
Q
out
(kJ/hr)
30 4894736.296
30 4413059.91
30 304257.2591
30 865196.1654
30 1323309.898
30 261661.3976
30 4402874.471
30 181106740.4
197571835.8
197571835.8 kJ/hr
7849228.525 kJ/hr
Energy balance around reactor
Mass flow rate of H2 = MH2 =
Heat generation in reactor can be calculated as follows
Qin =Qin(Diesel)+Qin(Hydrogen)
Heat entering in reactor
Heat out from reactor
Qout =Qc5+ +Qc4+Qc2+QNH4Cl+QNH3+QH2S+QH2O+QH2
Temperature of feed Tdiesel =
Reference of temperature = TR=
Cp at 325oC =
Heat present in H2 Stream F2
Qin-H2 = mH2Cp(T-TR) =
3159.593*14.3*(325-30)