USRWFC

SPYRO® Feed Characterisation Utility

USER MANUAL

A DIVISION OF
TECHNIP BENELUX B.V.

PYROTEC
A DIVISION OF TECHNIP BENELUX B.V.
BREDEWATER 26
2715 CA ZOETERMEER
THE NETHERLANDS

TELEPHONE: 31-79-3293531
TELEFAX: 31-79-3293573

Manual Revision/Update Information: Revision 2

December 2003

Software Version Information: Version 1.02

Copyright© Technip Benelux B.V. 2003

Document No.: A0158-00326-02

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USRWFC
SPYRO FEED CHARACTERISATION UTILITY

(USER MANUAL)

A0158-00326-02

Copyright© 2003 Technip Benelux B.V. All rights reserved.

No part of this document may be reproduced in any form, by print, photo print, microfilm or any other
means without written permission of the publishers. The information contained in this document is
subject to change without notice and should not be construed as a commitment by Technip Benelux
B.V.

SPYRO®, TES® and FIREBOX® are registered trademarks of Technip Benelux B.V.

PYROTEC
A DIVISION OF TECHNIP BENELUX B.V.
BREDEWATER 26
2715 CA ZOETERMEER
THE NETHERLANDS

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TABLE OF CONTENTS

1 INTRODUCTION 4

2 USRWFC INTERFACE 5
2.1 CLASSIFICATION OF FEEDSTOCKS & INPUT DATA 5
2.2 INPUT DATA 6
2.2.1 WFCIN 6
2.3 OUTPUT DATA 7
2.3.1 WFCOUT 7
2.4 ERROR MESSAGES 7

3 COMPONENT LIST 8
3.1 FEED CHARACTERISATION COMPONENT LIST - NAPHTHA 12
3.2 FEED CHARACTERISATION COMPONENT LIST – GAS OIL 13

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1 INTRODUCTION
The Feed Characterisation Utility is an on-line subroutine version of TECHNIP's proprietary liquid Feed
Characterisation Utility for Ethylene pyrolysis used in the off-line version of SPYRO®. It accepts ASTM
D86 and PINA information and predicts a detailed feed composition. This utility has been validated for
Naphtha, Gas Oil and Wide Boiling feedstock characterisations up to a final boiling point of 550°C. For
the standard AGO license, a final boiling point of 350°C is the limit. A wide boiling feed is a feed with
both a naphtha fraction and a gas oil fraction.

Dependent on the chosen license, kinetic scheme 9002 or 9306 is used. These schemes use
respectively 124 and 128 components. One should observe that the location of the components H2O,
CO and CO2 differ between those two schemes. In addition to this, the use of the LPG license, the
default AGO license or the HGO extension may have an impact on the availability of some component
ranges in the feed composition.

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2 USRWFC INTERFACE
USRWFC is an interface to the feedstock characterisation routine that generates a good estimate of
feedstock components from simple, readily available physical properties identified in the input data.
The routine's classification of liquid feedstock is based on the ASTM D-86 boiling ranges. The
definition of each feed class, naphtha, gas oil and wide boiling is given in individual sections.

Access to the feed characterisation routine is provided through the following subroutine

SUBROUTINE USRWFC(WFCIN,WFCOUT,IOB,IRET)

The table below gives a brief description of the type and purpose of the variables passed to the
USRWFC routine. More thorough documentation is found under the individual sections.

Variable I/O Type Description

WFCIN I DOUBLE(16) Input data for USRWFC
WFCOUT O DOUBLE(130) Detailed composition
IOB I INTEGER*4 File unit number for error log file
IRET O INTEGER*4 Error status

2.1 CLASSIFICATION OF FEEDSTOCKS & INPUT DATA

The table included below shows the way a feedstock is classified in USRWFC. Feed classification is
done automatically based on the values specified for IBP and FBP.

Feedstock ASTM D-86 Required Input Optional Input

Definition
Naphtha IBP < 130 °C PINA (wt%) Total C4
95% < 180 °C Specific gravity (15/15°C)
ASTM D-86: IBP, 50%,
95% (vol%)
Gas Oil IBP > 130 °C Specific gravity (15/15°C) PINA (wt%)
FBP > 180 °C ASTM D-86: IBP, 10, 30, H/C ratio
50, 70, 90, FBP (vol%) Sulphur content
Wide Boiling IBP < 130 °C Specific gravity (15/15°C) PINA (wt%) only for
FBP > 180 °C ASTM D-86: IBP, 10, 30, naphtha fraction.
50, 70, 90, FBP (vol%) H/C ratio
Sulphur content

Naphtha’s can have a long tail ending over 180°C, but this would trigger USRWFC into treating the
feed as wide boiling feed. Therefore, feeds are classified as naphtha based on the 95% boiling point
being lower than 180 °C. This 95% boiling point must be entered in the field of the FBP.

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2.2 INPUT DATA

This paragraph describes the input arguments for USRWFC.

2.2.1 WFCIN

USRWFC generates detailed composition of the feed from PINA, specific gravity and ASTM D-86 data.
The input data is passed through the WFCIN array with dimension 16. When omitted, values default to
0.0.

Position Description
1 ASTM Initial Boiling Point (°C)
2 ASTM 10% (°C)
3 ASTM 30% (°C)
4 ASTM 50% (°C)
5 ASTM 70% (°C)
6 ASTM 90% (°C)
7 ASTM Final Boiling Point (°C)
8 PINA Normal Paraffins (wt% basis)
9 PINA ISO Paraffins (wt% basis)
10 PINA Naphtenics (wt% basis)
11 PINA Aromatics (wt% basis)
12 Specific gravity (15°C /15°C)
13 H to C ratio (molar basis)
14 Sulphur Content (wt% basis)
15 Reserved
16 Total C4 (wt%) in naphtha feedstock

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2.3 OUTPUT DATA

This paragraph describes the output arguments for USRWFC.

2.3.1 WFCOUT

WFCOUT returns the calculated feed composition in weight fractions. Paragraphs 3.1 and 3.2 detail
those components that are used respectively for the naphtha feed and the gas oil feed. A wide boiling
feed contains both these groups.

Position Description
1...128 Feed Composition. See the Component Library for details.
129...130 Reserved

2.4 ERROR MESSAGES

Error Code Description

-103 Feed characterisation not available with LPG License.
-104 Density of naphtha fraction is greater than the density of entire feed.
-105 Density of gas oil fraction is greater than the density of entire feed.
-106 Feed characterisation did not reach convergence.
-107 Feed characterisation did not reach convergence on C4’s.
-2001 CPU ID not valid
-2002 License expiration date exceeded
-2003 File integrity error. The PRTC file is corrupted (or for another project)
-2004 The password in the PRTPYR is not correct. The combination of PRTC
and PRTPYR may be wrong, or typo in the password.
-3004 The binary license file (PRTC) cannot be accessed
-3005 The ASCII password file (PRTPYR) cannot be accessed

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3 COMPONENT LIST
The following list is the complete component list for Kinetic Scheme 9306. The numbers refer to the
index in the array used as argument WFCOUT to the routine USRWFC.

The SPYRO® License defines the scope of the elements that can be used to describe a feed at the
inlet. The column “license” indicates which components can be used for which feed. It should be noted
that AGO includes LPG, and HGO includes both AGO and LPG. The output of SPYRO® can always
use the complete component list to describe the effluent.

SPYRO® Component Name Formula License

Name
1 H2 Hydrogen H2 LPG
2 CH4 Methane CH4 LPG
3 C2H2 Acetylene C2H2 LPG
4 C2H4 Ethylene C2H4 LPG
5 C2H6 Ethane C2H6 LPG
6 C3H4 Methyl-Acetylene/Propadiene C3H4 LPG
7 C3H6 Propylene C3H6 LPG
8 C3H8 Propane C3H8 LPG
9 NBUTA N-Butane C4H10 LPG
10 IBUTA Iso-Butane C4H10 LPG
11 IB Iso-Butene C4H8 LPG
12 B1 1-Butene or N-Butene C4H8 LPG
13 B2 2-Butene (cis & trans) C4H8 LPG
14 BUTAD Butadiene C4H6 LPG
15 BENZ Benzene C6H6 AGO
16 TOLUO Toluene C7H8 AGO
17 XILO Xylenes C8H10 AGO
18 EBENZ Ethylbenzene C8H10 AGO
19 STYR Styrene C8H8 AGO
20 C9ARO Alkyl-Aromatic Pseudo Compound with 9 C C9H12 AGO
21 NC5 N-Pentane C5H12 AGO
22 IC5 Iso-Pentane C5H12 AGO
23 NC6 N-Hexane C6H14 AGO
24 NC7 N-Heptane C7H16 AGO
25 NC8 N-Octane C8H18 AGO
26 NC9 N-Nonane C9H20 AGO
27 NC10 N-Decane C10H22 AGO
28 UND1 Normal Olefin 1-Undecene C11H22 AGO
29 CPTAN Cyclo-Pentane C5H10 AGO
30 MCPTA Methyl-Cyclo-Pentadienes C6H12 AGO
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SPYRO® Component Name Formula License

Name
31 CESAN Cyclohexane C6H12 AGO
32 C7NAF Naftenic Pseudo Compound with 7 C C7H14 AGO
33 C8NAF Naftenic Pseudo Compound with 8 C C8H16 AGO
34 C9NAF Naftenic Pseudo Compound with 9 C C9H18 AGO
35 B2M2 2-Methyl-2-Butene C5H10 AGO
36 P1 1-Pentene C5H10 AGO
37 FUEL1 Naphthalene C10H8 AGO
38 B1M2 2-Methyl-1-Butene C5H6 AGO
39 MMCSE Di-M-Cyclohexenes C8H14 AGO
40 C10IS Iso-Decane C10H22 AGO
41 PTD Pentadienes C5H8 AGO
42 ISOPR Isoprene C5H8 AGO
43 AOLC6 Normal & Iso C6 Olefins C6H12 AGO
44 MCESE M-Cyclohexene C7H12 AGO
45 C6ISO Iso-Hexane C6H14 AGO
46 ESIJ 1,3 Hexadiene C6H10 AGO
47 PIJMK 1,3 M-Pentadiene C6H10 AGO
48 AOLC7 Normal & Iso C7 Olefins C7H14 AGO
49 MCP Methyl-Cyclo-Pentene C6H10 AGO
50 C7ISO Iso-Heptane C7H16 AGO
51 EIJMK M-Hexadienes C7H12 AGO
52 CPTD Cyclopentadiene C5H6 AGO
53 AOLC8 Normal & Iso C8 Olefins C8H16 AGO
54 CC5H8 Cyclo-pentene C5H8 AGO
55 C8ISO Iso-Octane C8H18 AGO
56 C9ISO Iso-Nonane C9H20 AGO
57 CESEN Cyclohexene C6H10 AGO
58 DIAL Di-Olefin C6H10 AGO
59 C4H4 Vinyl Acetylene C4H4 AGO
60 MSTYR Methyl-Styrene C9H10 AGO
61 DMSTY Di-Methyl-Styrene C10H12 AGO
62 FUEL2 Policondensate Pseudo Component C16H18 AGO
63 FUEL3 Policondensate Pseudo Component C6H12 AGO
64 MCPTD Methyl-Cyclo-Pentadienes C6H8 AGO
65 C7H10 M-Cyclohexadiene & Di-M-Cyclopentadiene C7H10 AGO
66 INDEN Indene C9H8 AGO
67 FUEL4 Policondensate Pseudo Component C22H18 AGO
68 NC15 N-paraffins with 15 C C15H32 AGO

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SPYRO® Component Name Formula License

Name
69 NAF15 Naftenic Pseudo Compound with 15 C C15H30 AGO
70 NAF20 Naftenic Pseudo Compound with 20 C C20H40 AGO
71 OLN11 Olefinic Naphthenic Compounds C11H20 AGO
72 OLN16 Olefinic Naphthenic Compounds C16H30 AGO
73 C15AR Alkyl-Aromatic Pseudo Compound with 15 C C15H24 AGO
74 C20AR Alkyl-Aromatic Pseudo Compound with 20 C C20H34 AGO
75 DNA20 Di-naphthenic Pseudo Compound with 20 C C20H28 AGO
76 NC20 N-Paraffins with 20 C C20H42 AGO
77 ISO20 Iso-Paraffins with 20 C C20H42 AGO
78 C15CO Pseudo Component with 15 C C15H20 AGO
79 C20CO Pseudo Component with 20 C C20H30 AGO
80 ISO15 Iso-Paraffins with 15 C C15H32 AGO
81 OLC11 Mixture of Iso-C11 Olefins C11H22 AGO
82 OLC16 Mixture of Iso-C16 Olefins C16H32 AGO
83 DIA7 Di-Olefin C7H12 AGO
84 DIA14 Di-Olefin C14H26 AGO
85 DNA15 Di-Naphthenic Pseudo Compound with 15 C C15H28 AGO
86 CH32 Pseudo Component C32H32 AGO
87 C1924 Pseudo Component C19H24 AGO
88 NC30 N-Paraffins with 30 C C30H62 HGO
89 ISO30 Iso-Paraffins with 30 C C30H62 HGO
90 EIC1 Normal 1-Eicosene C20H40 HGO
91 OLC20 N- & Iso-C20 Olefins C20H40 HGO
92 OLC25 N- & Iso-C25 Olefins C25H50 HGO
93 NAF25 Naftenic Pseudo Compound with 25 C C25H50 HGO
94 NAF35 Naftenic Pseudo Compound with 35 C C35H70 HGO
95 C25AR Alkyl-Aromatic Pseudo Compound with 25 C C25H44 HGO
96 C35AR Alkyl-Aromatic Pseudo Compound with 35 C C35H64 HGO
97 PNA25 Poly-Naphthenic Pseudo Compound with 25 C C25H46 HGO
98 PNA30 Poly-Naphthenic Pseudo Compound with 30 C C30H54 HGO
99 PCO25 Pseudo Component with 25 C C25H36 AGO
100 FUE32 Policondensate Pseudo Component C32H26 AGO
101 FUE43 Policondensate Pseudo Component C40H32 AGO
102 PES32 Policondensate Pseudo Component C32H20 AGO
103 PES42 Policondensate Pseudo Component C42H26 AGO
104 NAF12 Naftenic Pseudo Compound with 12 C C12H24 AGO
105 DNA11 Di-Naphthenic Pseudo Compound with 11 C C11H20 AGO
106 C12AR Alkyl-Aromatic Pseudo Compound with 12 C C12H18 AGO

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SPYRO® Component Name Formula License

Name
107 C12CO Pseudo Component with 12 C C12H15 AGO
108 PCO30 Policondensate Pseudo Component with 30 C C30H46 HGO
109 PNA16 Polynaphthenic Pseudo Compound with 16 C C16H28 AGO
110 P2 2-Pentene C5H10 AGO
111 ES1 N-1-Hexene C6H12 AGO
112 P2M Methyl-2-Pentene C6H12 AGO
113 OCT1 N-Octene-1 C8H16 AGO
114 NC25 Normal Paraffins with 25 C C25H52 HGO
115 ISO25 Iso-Paraffins with 25 C C25H52 HGO
116 NC35 N-Paraffins with 35 C C35H72 HGO
117 ISO35 Iso-Paraffins with 35 C C35H72 HGO
118 EXA1 N-1-Hexadecene C16H32 AGO
119 PEIC1 N-Olefin 1-C25 C25H50 HGO
120 NAF30 Naphthenic Pseudo Compound with 30 C C30H60 HGO
121 C30AR Alkyl-Aromatic Pseudo Compound with 35 C C35H64 HGO
122 B1M3 3-Methyl-1-Butene C5H10 AGO
123 ESEX 2- and 3- Normal Hexenes C6H12 AGO
124 P1M Methyl 1-Pentenes C6H12 AGO
125 EPT1 1-Heptene C7H14 AGO
126 H2O Water H2O LPG
127 CO Carbon Monoxide CO LPG
128 CO2 Carbon Dioxide CO2 LPG

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3.1 FEED CHARACTERISATION COMPONENT LIST - NAPHTHA

The feed characterisation of SPYRO® is able to characterise naphtha feed stock into the following 24
components. In case of a wide boiling feed, the naphtha fraction is characterised using these
components.

SPYRO® Name Component Name Formula

9 NBUTA N-Butane C4H10
15 BENZ Benzene C6H6
16 TOLUO Toluene C7H8
17 XILO Xylenes C8H10
18 EBENZ Ethylbenzene C8H10
20 C9ARO Alkyl-Aromatic Pseudo Compound with 9 C C9H12
21 NC5 N-Pentane C5H12
22 IC5 Iso-Pentane C5H12
23 NC6 N-Hexane C6H14
24 NC7 N-Heptane C7H16
25 NC8 N-Octane C8H18
26 NC9 N-Nonane C9H20
27 NC10 N-Decane C10H22
29 CPTAN Cyclo-Pentane C5H10
30 MCPTA Methyl-Cyclo-Pentadienes C6H12
31 CESAN Cyclohexane C6H12
32 C7NAF Naftenic Pseudo Compound with 7 C C7H14
33 C8NAF Naftenic Pseudo Compound with 8 C C8H16
34 C9NAF Naftenic Pseudo Compound with 9 C C9H18
40 C10IS Iso-Decane C10H22
45 C6ISO Iso-Hexane C6H14
50 C7ISO Iso-Heptane C7H16
55 C8ISO Iso-Octane C8H18
56 C9ISO Iso-Nonane C9H20

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3.2 FEED CHARACTERISATION COMPONENT LIST – GAS OIL

The feed characterisation of SPYRO® is able to characterise gas oil feed stock into the following 43
components. In case of a wide boiling feed, the gas oil fraction is characterised using these
components.

SPYRO® Name Component Name Formula

20 C9ARO Alkyl-Aromatic Pseudo Compound with 9 C C9H12
27 NC10 N-Decane C10H22
34 C9NAF Naftenic Pseudo Compound with 9 C C9H18
37 FUEL1 Naphthalene C10H8
40 C10IS Iso-Decane C10H22
62 FUEL2 Policondensate Pseudo Component C16H18
63 FUEL3 Policondensate Pseudo Component C6H12
67 FUEL4 Policondensate Pseudo Component C22H18
68 NC15 N-paraffins with 15 C C15H32
69 NAF15 Naftenic Pseudo Compound with 15 C C15H30
70 NAF20 Naftenic Pseudo Compound with 20 C C20H40
73 C15AR Alkyl-Aromatic Pseudo Compound with 15 C C15H24
74 C20AR Alkyl-Aromatic Pseudo Compound with 20 C C20H34
75 DNA20 Di-naphthenic Pseudo Compound with 20 C C20H28
76 NC20 N-Paraffins with 20 C C20H42
77 ISO20 Iso-Paraffins with 20 C C20H42
78 C15CO Pseudo Component with 15 C C15H20
79 C20CO Pseudo Component with 20 C C20H30
80 ISO15 Iso-Paraffins with 15 C C15H32
85 DNA15 Di-Naphthenic Pseudo Compound with 15 C C15H28
86 CH32 Pseudo Component C32H32
87 C1924 Pseudo Component C19H24
88 NC30 N-Paraffins with 30 C C30H62
89 ISO30 Iso-Paraffins with 30 C C30H62
93 NAF25 Naftenic Pseudo Compound with 25 C C25H50
94 NAF35 Naftenic Pseudo Compound with 35 C C35H70
95 C25AR Alkyl-Aromatic Pseudo Compound with 25 C C25H44
96 C35AR Alkyl-Aromatic Pseudo Compound with 35 C C35H64
97 PNA25 Poly-Naphthenic Pseudo Compound with 25 C C25H46
98 PNA30 Poly-Naphthenic Pseudo Compound with 30 C C30H54
99 PCO25 Pseudo Component with 25 C C25H36
104 NAF12 Naftenic Pseudo Compound with 12 C C12H24
105 DNA11 Di-Naphthenic Pseudo Compound with 11 C C11H20
106 C12AR Alkyl-Aromatic Pseudo Compound with 12 C C12H18
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SPYRO® Name Component Name Formula

107 C12CO Pseudo Component with 12 C C12H15
108 PCO30 Policondensate Pseudo Component with 30 C C30H46
109 PNA16 Polynaphthenic Pseudo Compound with 16 C C16H28
114 NC25 Normal Paraffins with 25 C C25H52
115 ISO25 Iso-Paraffins with 25 C C25H52
116 NC35 N-Paraffins with 35 C C35H72
117 ISO35 Iso-Paraffins with 35 C C35H72
120 NAF30 Naphthenic Pseudo Compound with 30 C C30H60
121 C30AR Alkyl-Aromatic Pseudo Compound with 35 C C35H64

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