SAPC

SPYRO® for Advanced Process Control

USER MANUAL

PYROTEC DIVISION
TECHNIP BENELUX B.V.
BOERHAAVELAAN 31
2713 HA ZOETERMEER
THE NETHERLANDS

TELEPHONE: 31-79-3293 531

TELEFAX: 31-79-3293 573

Manual Revision/Update Information: Revision 8

April 2010

Software Version Information: Version 6.6

Copyright© Technip Benelux B.V. 2010

Document No.: A0158-00325-08

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SAPC
®
SPYRO FOR ADVANCED PROCESS CONTROL

(USER MANUAL)

A0158-00325-08

Copyright© 2010 – 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.
P.O. BOX 31 - BOERHAAVELAAN 31
2700 AB ZOETERMEER
THE NETHERLANDS

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REVISION NOTES

Revision 1

• This document complies with the work instructions WI0158-103 revision 1 and WI0158-104
revision 1.

Revision 2

• Adjustment parameters HCOE and FRIC are now read from the binary geometry file if they are
omitted from the argument header.
• Fixed unit bug with flux, being returned in kcal/s/m2 instead of kcal/hr/m2 as it should be.

Revision 3

• Input argument 129 extended from message level detail flag to a binary operator flag to also
indicate reported location of the (maximum) TMT.
• Output element 129 now contains the pressure drop over the radiant coil.
• Error -3006 reported when the binary geometry file (*.KTI) cannot be found / opened.
• When no unit number to an open log file is passed, the default log file [Link] is used.
• Error -118 reported when the IOB log file number is not valid.

Revision 4

• Add warning for exceptional flow velocities. They indicate an erroneous flow specification.

Revision 7

• Software update 6.5 to 6.6

• Added feasibility check of heat flux tuning parameter FLUXP
• Coke profile read per tube (was per defined geometry section)
• Merged with latest User Manual for SPYRO® Feed Characterisation Utility (A0158-00326-02)

Revision 8

• Extended manual with detailed information for input specifications.

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TABLE OF CONTENTS

1 INTRODUCTION 5

2 SAPC INTERFACE 6
2.1 SAPC INPUT DATA 6
2.1.1 GEOMETRY DEFINITION 7
2.1.2 SPYIN0 8
2.1.3 SPYIN 9
2.2 SAPC OUTPUT DATA 14
2.2.1 SPYOUT 14
2.3 SAPC ERROR MESSAGES 15
2.3.1 NON-FATAL ERRORS (WARNINGS) 15
2.3.2 FATAL ERRORS 15
2.3.3 FATAL ERRORS IN SOLVER 16

3 USRWFC INTERFACE 17
3.1 CLASSIFICATION OF FEEDSTOCKS & INPUT DATA 17
3.2 INPUT DATA 18
3.2.1 WFCIN 18
3.3 OUTPUT DATA 19
3.3.1 WFCOUT 19
3.4 ERROR MESSAGES 19

4 COMPONENT LIST 20

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1 INTRODUCTION
SAPC provides access to the SPYRO® 6 model from Advanced Process Control Systems. SAPC is a
statically linked library with the FORTRAN runtime libraries. The library exports a routine for a single
SPYRO® run simulation: SAPC. Dependent on the type of feed license a second routine may be
exported for the characterisation of a liquid feed: USRWFC. The routines are described in the next
chapters.

To use the library in an application, the library and the available routines can be linked to the
application. The library provides the interface(s). The routine(s) can be statically or dynamically linked
by the application. In case the routine(s) are statically linked the [Link] will provide the
interfaces for the linker.

The SAPC software is licensed as with either a LPG, AGO (default) or HGO license, which defines the
set of components that can be used to specify the hydrocarbon feed. 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, as indicated in the last chapter.

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2 SAPC INTERFACE
Access to the radiant coil model, SAPC, is provided through the following FORTRAN subroutine:

SAPC(FGEOM,SPYIN0,SPYIN,SPYOUT,IRET)

The table below gives a brief description of the type and purpose of the variables passed to the SAPC
routine. More detailed documentation is given under individual sections.

Variable I/O Type Description

FGEOM I CHARACTER*128 Furnace geometry file name
SPYIN0 I DOUBLE(9) SAPC input data - general
SPYIN I DOUBLE(162) SAPC input data - operations
1
SPYOUT O DOUBLE(150/170) SAPC output
IRET O INTEGER*4 Error status

The library contains compiled FORTRAN code with the default setting to export the SAPC routine. This
has a special implication for the character string: an additional argument has to be added after each
string argument mentioning the length of the Fortran string.

To link to a program that is written in C++ use the following syntax for the header definition:
extern "C" __declspec(dllimport) void __stdcall SAPC(char *FGEOM, int
FGEOM_Len, double SPYIN0[], double SPYIN[], double SPYOUT[], int *IRET);
To call the SAPC routine from a CPP file use the next syntax:
char MyFGEOM[128];
double MySPYIN0[9];
double MySPYIN[162];
double MySPYOUT[170];
int MyIRET;
…
SAPC(MyFGEOM,strlen(MyFGEOM),&MySPYIN0[0],&MySPYIN[0],&MySPYOUT[0],&MyIRET);
…

To link to a program that is written in VBA use the following syntax for the header definition:
Private Declare Sub SAPC Lib "SAPC" (ByVal lpszFileName As String, ByVal
nFileNameLen As Long, aSpyIn0 As Double, aSpyIn As Double, aSpyOut As Double,
aRetVal As Long)
To call the SAPC routine from a CPP file use the next syntax:
Dim GeometryFileName As String
Const FileNameLength = 128
Dim SPYIN0(1 To 9) As Double
Dim SPYIN(1 To 162) As Double
Dim SPYOUT(1 To 170) As Double
Dim iRet As Long
…
Call SAPC(GeometryFileName,FileNameLength,SPYIN0(1),SPYIN(1),SPYOUT(1),iRet)
…

2.1 SAPC INPUT DATA

1
Dependent on the chosen license option, with or without coking profile.
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This paragraph describes the input arguments for SAPC.

2.1.1 GEOMETRY DEFINITION

FGEOM is used to initialise the furnace geometry from the encrypted binary geometry file. It contains
the file name of encrypted geometry file without the .KTI extension. This string may contain the fully
qualified path to the binary geometry file or just be the file name of the file itself.

In case only a file name is supplied, SAPC will look for the geometry file in several places in the
following order:

1. The “current” folder. The concept “current” directory may differ based on the invoking application,
or even the method used to invoke this program.
2. The folder pointed at by the SPYRO_APC environment variable.
3. The folder pointed at by the SPYRO environment variable.
4. The folder in which the “invoking module” resides. Like the “current” directory, this is also a
Windows concept and in a multi-module application this may be the main EXE or a DLL.

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2.1.2 SPYIN0

General input variables for SAPC are passed in via the SPYIN0 array of dimension 9.

Name Description
1 IOB Log file unit number
2 NSTEP Number of integration steps for SPYRO®
3 - Reserved
4 NKEY Key component number for conversion calculations
5 CONOP1 Convergence option for severity
6 CONVAL1 Convergence value for severity
7 CONOP2 Convergence option for COP
8 CONVAL1 Convergence value for COP
9 TOLF Convergence tolerance
(only used when CONOP1 ≠ 0 and/or CONOP2 ≠ 0)

[Link] SPYIN0(1): IOB

During execution, SPYRO® will write messages to a log file: [Link]. The specified unit number
will be used to open this log file. The log file [Link] will be closed after each call to SAPC.

Note: Integers 1, 32, 38 cannot be used since they are used internally by the library. Integers 0, 5, 6
cannot be used since they are used by the system.

Sharing a log file between the calling program and SAPC is only possible when both share the exact
same instance of the FORTRAN run-time library [Link]. This means that when the applied
version of SAPC is linked statically against the FORTRAN run-time library, SAPC will always open the
[Link].

[Link] SPYIN0(2): NSTEP

SPYIN0(2) defines the maximum number of integration steps taken along the coil in SPYRO®. The
default value is 60 steps. Variation of this number has significant impact on execution time and
influences yield values. The actual number of steps used will be calculated on the base of the entered
NSTEP value.

Since each tube must be represented by a whole number of steps, and some steps are reserved for
the transfer line volume, the number of actual steps for the coil is likely to be less than the number of
steps given with NSTEP. The distribution of steps is as follows:

NTUBES = number of tubes in coil

NSTEPinput = number of steps per coil as given by the user (NSTEP)
TUBESTEPS = NSTEPinput / (NTUBES + 1) = number of steps per tube
NSTEPcoil = TUBESTEPS * NTUBES = actual number of steps in the coil

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[Link] SPYIN0(4): NKEY

SPYIN0(4) specifies the key component number used for the conversion calculation in the output
array.
This is also the key component to which SAPC converges when the convergence option is set to
conversion of the keycomponent (CONOP1=5). The component number can be obtained from the
component list in Chapter 3.

[Link] SPYIN0(5): CONOP1

SPYIN0(5) Description
0 Calculate at Radiant Wall Temperature specified by SPYIN(134) [no convergence]
1 Converge on coil outlet temperature defined by SPYIN0(6)
2 Converge on Ultimate P/E (see SPYRO manual) defined by SPYIN0(6)
3 Converge on P/E defined by SPYIN0(6)
4 Converge on M/P defined by SPYIN0(6)
5 Converge on conversion of key component [SPYIN0(4)], defined by SPYIN0(6)
6 Converge on absorbed duty specified by SPYIN0(6)

[Link] SPYIN0(6): CONVAL1

Convergence value for the cracking severity, conversion (of specified key component) or coil outlet
temperature.

[Link] SPYIN0(7): CONOP2

SPYIN0(7) Description
0 Calculate at specified coil inlet pressure specified by SPYIN(133) [no
convergence]
1 Converge on coil outlet pressure specified by SPYIN0(8)

[Link] SPYIN0(8): CONVAL2

Convergence value for COP (kg/cm2).

[Link] SPYIN0(9): TOLF

Convergence tolerance if convergence specified above. Default tolerance is 10-6.

2.1.3 SPYIN

Operating conditions for the given furnace for SPYRO® calculations are passed in via the SPYIN array
of dimension 162. The feed composition (position 1 through 128) must be given in weight percent.

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Position Identifier Description

1..128 Feed Composition. See the Component library for details.
129 - Binary option flag (0 – 3)
130 - Reserved
131 FLOWR HC Flow rate (kg/hr)
132 DS Dilution steam ratio
133 CIP Coil inlet Pressure (kgf/cm2)
134 Trw Radiating wall Temperature (°C)
135 CIT Coil inlet temperature (°C)
136 DpAdia Pressure drop in transfer line (kgf/cm2)
137..156 COKET Coke thickness in tube 1..20 (m)
157 FLUXP Adjustment parameter for flux profile
158 HCOE Adjustment Multiplier for heat transfer coefficient
159 FRIC Adjustment Multiplier for friction factor
160 FOULC Adjustment Multiplier for fouling coefficient.
161 PARCO Adjustment Multiplier for coke thermal conductivity
162 COKAD Adjustment Multiplier for coking

[Link] SPYIN(129): BINARY OPTION FLAG

Element SPYIN(129) is a binary options flag. To switch an option on, the corresponding flag value
has to be added to the SPYIN(129) value as passed through the header. The following flags are
available:

Bit Name Description

0 - No flags are given.
1 Message level When switched off, the program only issues messages when a solution
cannot be found or when license validation issues arise.
When switched on, the program gives more detail on the usage of the
geometry file and location of the security files. This is mostly used
when there are problems with the security or convergence. If this option
would be on during normal operation, the size of the message file
easily become too large
2 MTMT location Unused in SAPC. Should remain off.

For example, to switch bit 1 on, the value SPYIN(129) = 1 has to be set.

[Link] SPYIN(131): HC FLOW RATE

Hydrocarbon feed flow rate (kg/h) for a single coil, exclusive the dilution steam.

[Link] SPYIN(132): DILUTION STEAM RATIO

Dilution steam ratio as weight fraction of the hydrocarbon feed flow rate.

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[Link] SPYIN(133) : COIL INLET PRESSURE

Absolute pressure at the inlet of the first coil section (absolute kgf/cm2). This value is used either as
initial estimate or as convergence value dependent on the specification of CONOP2.
If SPYIN0(7) is set to 1 (converge on Coil outlet pressure), SPYIN(133) will be used as the first
estimate for coil inlet pressure. When no value is given, SAPC will use CIP=COP + 1 kgf/cm2 as its first
estimate.
If SPYIN0(7) is set to 0, SPYIN(133) must be set to coil inlet pressure (there will be no convergence
on coil outlet pressure).

[Link] SPYIN(134) : RADIATING WALL TEMPERATURE

SPYIN(134) specifies the radiant wall temperature in degrees Celsius. This temperature cannot be
accurately measured at the plant site and is used instead as a control variable to achieve required coil
outlet temperature, severity or key component conversion. The specified value will be used as a first
estimate.

If SPYIN0(5) is set to 0, SAPC will run the SPYRO® model at the specified radiant wall temperature
and not converge to coil outlet temperature, severity or key component conversion.

If SPYIN0(5) is set to any other value, SPYIN(134) will be used as the first estimate by SAPC to
achieve the required coil outlet temperature, severity or conversion.

[Link] SPYIN(135) : COIL INLET TEMPERATURE

Inlet temperature (°C) of the hydrocarbon and steam flow mixture at the inlet of the first coil section. In
most cases, this is the crossover temperature.

[Link] SPYIN(136) : PRESSURE DROP OVER TRANSFER LINE VOLUME

Pressure drop over transfer line volume (kgf/cm2). This value may be zero.
In the transfer line volume (specified in the furnace geometry file) adiabatic cracking takes place before
the reaction mass is quenched in the transfer line exchanger (TLE). The volume includes the entire
unfired transfer line volume after the last coil section including the TLE inlet-cone volume up to the first
tube sheet.

[Link] SPYIN(137-156) : COKE THICKNESS

Coke layer thickness (meter) for a single coil pass.

Fouling of the interior of the coil by solid deposits is an ongoing process that affects the process
conditions and available reaction volume. The SPYRO® model simulates a single time step and gives
estimates for the coke rates just then. Based upon these coke rates the coke layer can be
(cumulatively) estimated at a subsequent point in time. At start of run, just after decoking operation the
furnace can be assumed to be at clean condition.

[Link] SPYIN(157) : HEAT FLUX PROFILE

The SPYRO® model uses a simplified firing model to generate the heat flux distribution over the coil.
The simplified model assumes that the radiant box is a well-stirred chamber, which implies a single
uniform radiant wall and temperature and a single uniform radiating gas temperature for the entire coil.

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Heat
Flux

0 Fractional Coil Length

FLUXP = 0.2
FLUXP = 0.1 (DEFAULT)
FLUXP = 0.0001

Figure 2.1: Heat flux adjustment parameter (FLUXP)

SPYIN(157) is used to tune the heat flux profile for the SPYRO model and the maximum valid range
is from -1 to +1, the actual range is subject to the tube diameter and number of parallel tubes of the
first and last section. A positive number will result in higher heat flux at the beginning of the coil
section. The default value is 0.10 for most vertical coils.
This parameter is physically limited, an indication of this limitation is given by the following equation:

SplitfactorLast tube ⋅ doutside,last tube

FLUXP <
SplitfactorFirst tube ⋅ doutside,first tube

Recommended values for FLUXP:

Multi-tube vertical coil (uniformly side fired) 0.1 (Default)
Multi-tube vertical coil (First part of coil fired more) 0.2
Single tube short residence time coil 0.4
U-type coil 0.2
Multi-tube horizontal coil 0.01 or -0.1
Bottom fired vertical coil 0.01 or -0.1

[Link] SPYIN(158) : HEAT TRANSFER COEFFICIENT FILM LAYER

Adjustment parameter for the internal heat transfer coefficient over the laminar film layer. The
calculated heat transfer coefficients are multiplied by this factor.

[Link] SPYIN(159) : FRICTION COEFFICIENT ADJUSTMENT

Adjustment parameter for friction factor. The calculated friction factor based on the Chen formula is
multiplied by this factor. It is valid for both turbulent and laminar flow regimes.

[Link] SPYIN(160) : FOULING HEAT TRANSFER ADJUSTMENT

Adjustment parameter for the fouling heat transfer coefficient other than through coking.
In off-line SPYRO, the actual value of FOULC is entered as fouling coefficient for fouling other than
through coking. In SAPC, FOULC is an adjustment multiplier on the default value of 0.0001 m2h°C/kcal.

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[Link] SPYIN(161) : COKE THERMAL CONDUCTIVITY ADJUSTMENT

Adjustment parameter for the thermal conductivity of the coke deposit. The internally calculated coke
thermal conductivity is multiplied by this parameter.

The composition of tube metal is known to influence the rate of coking because of the catalytic effect of
some elements in the material. SPYRO® does not directly take this into account. Instead, the user may
tune the simulation to account for the effect of different tube metal compositions by adjusting the
coking rate parameter and/or the coke thermal conductivity adjustment parameter. It is also known that
with age there are changes in the composition of the tubes and in the condition of the inside surface.
This is due to the depletion of components (such as nickel) from the tube alloy due to cycles of coking
and decoking. This phenomenon can also be considered in simulations through the use of these
parameters.

[Link] SPYIN(159) : COKE RATE ADJUSTMENT

Coking rate adjustment parameter. The calculated coking rates are multiplied by this parameter. This
may be used to account for influences of feed contaminants and local heat flux deviations.

Passivation compounds like dimethylsulfide are sometimes used to poison the catalytic sites on the
tube surface, in order to reduce the coking rate. While SPYRO® does not allow a direct specification of
these compounds in the input, an indirect way is to use the coking rate adjustment parameter to tune
the simulation to plant data.

[Link] SPYIN(157-162) : SCOPE OF TUNING PARAMETERS / MULTIPLIERS

Certain parameters or adjustment multipliers are (also) available in the binary geometry file. If a value
is passed through the interface header, that is, the value is non-zero, this value will supersede the
value configured in the binary geometry file. The following table shows the scope and application of
parameters and adjustment multipliers when configured in the binary geometry file, or when passed
through the header.

Parameter Available in Scope in Available in Scope in

header header geometry file geometry file
FOULC Yes Overall calc. No -
PARCO Yes Overall calc. No -
COKAD Yes Overall calc. No -
FLUXP Yes All sections Yes All sections
HCOE Yes All sections Yes Per section
FRIC Yes All sections Yes Per section
ABRES No - Yes Per section
VIEWF No - Yes Per section
PTAH No - Yes Per section
XADIA No - Yes Last section
(transfer line)

A parameter is a value used directly in the calculation. An adjustment multiplier is a multiplication factor
on the calculated value.

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2.2 SAPC OUTPUT DATA

This paragraph describes the output arguments for SAPC.

2.2.1 SPYOUT

The output of SAPC is passed through via the SPYOUT array.

Pos Description
1 Coil outlet temperature (°C)
2 Reserved
3 P/E Severity
4 M/P Severity
5 Conversion of specified component - NC5 if component is not specified (%)
6 Absorbed duty (kcal/h/coil)
7 Pressure drop across coil (kg/cm2)
8 Maximum TMT across all coils (°C)
9 Maximum coking rate across all coils (mm/30 days)
10 Final radiant wall temperature (°C)
11 Final coil inlet pressure (kg/cm2)
12.. 20 Reserved
21..148 Effluent Composition. See the Component library for details.
149..150 Reserved
1
151..170 Coking Rate (Tube 1 through NTUBE) [mm/30 days]

1
Dependent on the applicable license option, with or without coking profile.
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2.3 SAPC ERROR MESSAGES

The integer flag IRET is used to pass back information to the calling routine about any errors that
occurred during the On-line Furnace Model execution. The error message is printed in the error log file
defined by SPYIN0(1). A positive error code implies a non-fatal error and a negative error code
indicates a fatal error.

2.3.1 NON-FATAL ERRORS (WARNINGS)

This table contains the non-fatal errors (warnings) returned from SAPC.

Error code Error description

101 Individual component less than 0.0
102 Coke thickness less than 0.0
103 Sum of feed composition not equal to 100.0%
104 Component not valid for AGO version of SPYRO®
105 Component not valid for LPG version of SPYRO®
111 Hydrocarbon flow rate outside the normal range
112 Dilution Steam ratio outside the normal range
113 Coil Inlet Pressure outside the normal range
114 Radiating wall temperature outside the normal range
115 Coil Inlet Temperature outside the normal range
315 Estimated linear velocity at outlet seems too low (< 50 m/s).
The inlet flow (per SPYRO® coil) may be incorrect.
316 Estimated linear velocity at outlet seems too high (> 350 m/s).
The inlet flow (per SPYRO® coil) may be incorrect.

2.3.2 FATAL ERRORS

This table contains the fatal errors returned from SAPC.

Error code Error description

-102 Feed type is not valid for this feed license
-116 Infeasible value for FLUXP encountered.
-117 Radiating wall temperature (RWT) less than the (process fluid)
coil inlet temperature (CIT).
-118 Coil outlet temperature (COT) less than Coil inlet temperature (CIT)
while convergence on COT.
-119 Coke layer larger than coil internal diameter.
-120 IOB, log file number invalid (negative, or reserved number)
-121 No solution found, no effluent calculated.
-231 Hydrocarbon flow rate less than or equal to 0.0

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-232 Dilution steam ratio less than or equal to 0.0

-233 Coil Inlet Pressure less than or equal to 0.0
-234 Radiating wall temperature less than or equal to 0.0
-235 Coil Inlet Temperature less than or equal to 0.0
-2001 CPU ID not valid (or wrong security key inserted).
-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
PRTC and PRTPYR may be wrong, or typo in the password.
-2006 Last used date and time incorrect.
-2008 Cannot open Pyrotec file ([Link])
-2009 User file ([Link]) not found.
-2012 Cannot locate a security key (either locally or on the network).
-2013 Cannot locate a security key (on the network).
-2014 Network settings file ([Link]) not found.
-3004 The binary license file (PRTC) cannot be accessed
-3005 The ASCII password file (PRTPYR) cannot be accessed
-3006 The geometry file (*.KTI) cannot be found / accessed.

2.3.3 FATAL ERRORS IN SOLVER

This table contains the fatal errors returned from the solver used in SAPC.

Error code Error description

1001 Singular Jacobian matrix in Broyden routine.
1002 “R” Singular in Broyden routine.
1003 Maximum number of iterations exceeded in Broyden routine.
1004 Solution not reached in Broyden routine.
1005 Inlet pressure not correctly specified
1006 Output pressure reached lower limit (1.053 kgf/cm2).
1007 Set point outlet pressure too low

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3 USRWFC INTERFACE
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 this routine can be lacking. This routine is available only to the AGO
or the HGO license, for the LPG license this routine is omitted.

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

3.1 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.

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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.

3.2 INPUT DATA

This paragraph describes the input arguments for USRWFC.

3.2.1 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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3.3 OUTPUT DATA

This paragraph describes the output arguments for USRWFC.

3.3.1 WFCOUT

WFCOUT returns the calculated feed composition in weight fractions. Paragraphs Error! Reference
source not found. and Error! Reference source not found. 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

3.4 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.

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4 COMPONENT LIST
The numbers refer to the order in the index in the array used as arguments SPYIN and SPYOUT to the
routine SAPC. 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
31 CESAN Cyclohexane C6H12 AGO

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SPYRO® Component Name Formula License

Name
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
69 NAF15 Naftenic Pseudo Compound with 15 C C15H30 AGO

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SPYRO® Component Name Formula License

Name
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
107 C12CO Pseudo Component with 12 C C12H15 AGO

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SPYRO® Component Name Formula License

Name
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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