mfcmd41 PDF

Multiflash Command
Reference
Infochem Computer Services Ltd
Version 4.1
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Contents
Introduction...............................................................................................................1
7sin$ Multiflash......................................................................................................%
!ntering commands...................................................................................................3
Configuring 7ultiflash..............................................................................................3
Specifying a pro#lem.................................................................................................4
'nits..............................................................................................................................0
Changing the pro#lem...............................................................................................0
!rror messages and diagnostics..............................................................................0
8utput...........................................................................................................................2
7odel configuration files.......................................................................................$,
!1ample Calculation................................................................................................$,
6ata)an5s and components...........................................................................1%
Commands for setting component data#an6s..................................................$3
Loading components from a data#an6...............................................................$4
9ata entry for a normal component....................................................................$/
%etroleum fractions.................................................................................................2/
%:T analysis..............................................................................................................2.
;lac6 oil analysis......................................................................................................32
9elumping.................................................................................................................34
%etroleum fluid #lending........................................................................................34
Inhi#itor calculator..................................................................................................3/
Salinity........................................................................................................................3/
Model definition....................................................................................................%0
Introduction..............................................................................................................30
!5uation of state models.......................................................................................30
<ctivity models.........................................................................................................40
8ther thermodynamic models for fluids............................................................=$
Thermodynamic models for solids......................................................................=3
:iscosity models......................................................................................................=.
Thermal conductivity models.................................................................................,
Surface tension models...........................................................................................3
8inar interaction parameters....................................................................../5
;I%9<T<....................................................................................................................../
;I%S!T..........................................................................................................................=
*hase descriptors and stream tpes........................................................./0
The %9 command......................................................................................................0
The streamtype command......................................................................................2
The (!> component command.............................................................................0,
Calculations.............................................................................................................01
Commands for setting calculation conditions..................................................0$
%hase e5uili#rium calculations.............................................................................03
Fi1ed %hase Fraction Flashes.................................................................................03
Tolerance calculations............................................................................................04
7atching dew and #u##le points.........................................................................04
7atching wa1 data...................................................................................................0=
Calculating wa1 appearance temperature..........................................................0.
Calculating wa1 precipitation curve....................................................................0.
7atching asphaltene deposition point................................................................00
7atching li5uid viscosity........................................................................................00
7atching density?volume......................................................................................02
%hase envelopes........................................................................................................02
%ipesim %:T files......................................................................................................2$
8L@< ta#le generator..............................................................................................22
%rosper ta#le generator..........................................................................................23
9ther commands..................................................................................................25
The TITL! command................................................................................................2/
Setting !nthalpy and !ntropy #ases....................................................................2/
Commands for changing units..............................................................................2=
The S!T command...................................................................................................2.
The SA83 and 3BIT! commands.......................................................................22
The LIST command................................................................................................$,2
The B!78:! command........................................................................................$$$
The A!L% command..............................................................................................$$$
The I4CL'9! command.......................................................................................$$$
The 'IT command..............................................................................................$$2
:lpha)etical list of selected commands...............................................11%
Introduction
7ultiflash is an advanced software pac6age for performing
comple1 e5uili#rium calculations 5uic6ly and relia#ly. The
main utility is a multiple phase e5uili#rium algorithm which is
interfaced to InfochemCs pac6age of thermodynamic models
and a num#er of physical property data #an6s.
This document descri#es the 7ultiflash command language
which can #e used to configure and drive the software.
7ultiflash itself can #e used and accessed in many different
ways +see #elow- #ut the command language is common to all
implementations. <n overview of the 7ultiflash software
structure is given in the diagram on the following page.
The commandDline version of 7ultiflash is largely machine
independent. It can #e run #y typing in all the necessary
instructions at the command line or #y reading in files of
commands. The software is also availa#le as an interactive
7icrosoft 3indows program +see the Users Guide for
Multiflash for Windows- and as an addDin for use with the
7icrosoft !1cel spreadsheet program +see the Users Guide for
Multiflash Excel Interface-.
For application developers 7ultiflash can #e used as a set of
procedures calla#le from 7icrosoft :isual ;asic +see the
Programmers Guide for the Multiflash Visual Basic Interface-& C
and C** +see the Programmers Guide for the Multiflash C
Language Interface- and Fortran. The lowDlevel application
interface is descried in the Multiflash Programmers Guide.
1
Multiflash Software Structure
2

Command
driven
Interactive
interface
Microsoft
;indo<s
Interactive
interface
:pplications
pro$rammin$
interfaces 3 Visual
8asic= C= #ortran
Microsoft
'1cel
interface
9ther
applications
e.$. *rocess
simulators
Multiflash
Multiphase equilibrium
M96'LS
Equations of state
Activity models
Group contribution models
Solids
Hydrates
Transport properties
6:":
M:>:?'R
IN!"ATA "I##$
%ser&
entered
data
%ser
data
files
#etroleum fractions !ther databan's
7sin$ Multiflash
This section gives an overview of how the command language
can #e used to set up and run a pro#lem.
'nterin$ commands
In the commandDline version of 7ultiflash all commands may #e
entered interactively& ie at the computer 6ey#oard. The other
interfaces have different ways of accepting commands& eg in the
!1cel interface commands can #e entered on a spreadsheet. <n
alpha#etical list of commands is given on page $$3.
7ost commands need to #e followed #y e1tra information to
complete their action& eg.
SHOW RESULTS;
The SHOW command is followed #y the RESULTS 6eyword to instruct
7ultiflash to redisplay the results of the last calculation. The
command is terminated with a semiDcolon. Commands may #e
entered in upperD or lowerDcase and may #e a##reviated to the
shortest uni5ue character string.
In all versions commands may #e read in from <SCII input files. Input
files are simply te1t files that contain one or more commands. They
are useful for storing a complete pro#lem definition +pro#lem setup
files- or for setting up comple1 items such as models and #inary
interaction parameters +model configuration files-. Input files are read
in using the INCLUDE command& eg.
INCLUDE c4c5.mfl;
Include files can have any name that is accepta#le on your computer
system. The sample files supplied with 7ultiflash use the file
e1tensions .mfl.
Confi$urin$ Multiflash
Two environment varia#les are used to control where 7ultiflash loo6s
for and writes certain files.
The varia#le 7F4$<%% is used to search for the data#an6 and other
files.
The varia#le 7F4$'SB is used to search for the 7FC84FI@.dat
configuration file& to set the default directory where 7ultiflash loo6s
for input files +on the Files menu- and to write the log file.
%
The file MFCONFIG.DAT also can #e used to set up individual
preferences for the following aspects of the program)
3hether command prompts are displayed +default not
displayed-.
The num#er of lines to display on the screen #efore
pausing +default 24-.
The input units for 5uantities +default SI-.
The output units for 5uantities +default SI-.
The properties to display +default level $-
3hen 7ultiflash is started it loo6s for a file called MFCONFIG.DAT in
the default directory and then in other directories specified #y the
user. See your installation instructions for details. If the file is found
it is read in and processed Eust li6e any input file. <ny 7ultiflash
command could #e used in MFCONFIG.DAT #ut it will usually contain
Eust SET& UNITS& INPUTUNITS& and OUTPUTUNITS commands. For
e1ample& to turn on screen prompts and display pressures in #ar
rather than %a the following lines would appear in the file)
SET prompt;
OUTPUTUNITS pr!"r! #$r;
It is possi#le to change any of these initial settings at a later stage #y
entering the appropriate commands& eg !t %oprompt; will turn
off the display of possi#le commands.
Specifin$ a pro)lem
< phase or chemical e5uili#rium pro#lem is specified using the
se5uence of operations descri#ed #elow.
Source of pure component data
The data source +data#an6- for normal components is set using the
command PUREDATA& followed #y the data#an6 name. Eg.
PUREDATA INFODATA;
sets the data#an6 to #e the standard Infochem fluids data#an6. 7ore
than one data#an6 may #e used to set up a pro#lem #ut only one can
#e active at any time. For more details see Commands for setting
component data#an6s on page $3.
(omponents in a mi)ture
4ormal components are added to the mi1ture using the command
COMPONENTS followed #y a list of component names. The ma1imum
num#er of components is currently 2,,. If the component name
includes punctuation or spaces then it should #e put in dou#le
5uotation mar6s. !ach name must #e a valid component name for the
data#an6 in force. Eg.
compo%!%t m!t&$%! #"t$%! '$t!r (c$r#o% )*o+*)! (;
<n alternative form of the compo%!%t command allows a
component to #e defined in a particular place in the se5uence of
components. For e1ample& to define component 4 without&
necessarily& defining components $ to 3
compo%!%t 5 m!t&$%ol;
4
3hen defining components from more than one data#an6&
components are added to the end of the e1isting list of components
unless you specify otherwise& eg.
PUREDATA DIPPR;
COMPONENTS m!t&$%ol &,)ro-!% (c$r#o% mo%o+*)!(;
PUREDATA I%fo)$t$;
COMPONENTS o+,-!%;
ma6es o1ygen the fourth component.
For more details see Commands for setting component data#an6s on
$3. Information on how to define components that are petroleum
fractions is given in the section on page 2/.
Source of binary interaction parameter data
;inary interaction parameters +;I%s- are re5uired #y most of the
mi1ture models in 7ultiflash. ;I% data may #e ta6en from a data#an6
or entered directly on the command line. If ;I% data are not defined
the models will use their internal default values. The default ;I%s may
or may not lead to reasona#le predictions of mi1ture properties. The
#ehaviour depends on the model and mi1ture.
;I% data#an6s are defined #y the command .IPDATA followed #y the
#an6 name. Eg.
.IPDATA *%fo#*p o*l$%)-$;
The oilandgas #an6 provides ;I% values for components typical of oil
and gas mi1tures for cu#ic eos. <nd the info#ips data#an6 provides
the interaction parameters for :L! and refrigerants.
The command .IPSET is used to define ;I%s directly. This is a
somewhat comple1 and& potentially& errorDprone process. It is
recommended that the necessary commands are entered in a pro#lem
setup file which can then #e included& chec6ed and revised as
necessary.
For more details see ;inary interaction parameters on page ./.
Mi)ture models
< complete description of the availa#le models and how they are
defined is are given in the section starting on p.30. It is necessary to
set up models that 7ultiflash can use to calculate +at least- fugacity
coefficients in phase e5uili#rium calculations. If other properties such
as enthalpy or volume are of interest then the appropriate models
must #e made availa#le.
< model is specified using the command MODEL& followed #y a userD
defined model identifier& a 7ultiflash model 6eyword and any further
modelDdependent information. For e1ample& the following command
sets up the %B eos with the name 7%B
MODEL MPR PR PR.IP;
The model identifier can #e any uni5ue name assigned #y the user. It
is used su#se5uently to refer to the model& eg when defining a phase
descriptor +see #elow-.
The MODEL command also allows a set of ;I%s defined with the
.IPSET command to #e associated with a model. For e1ample& the
following command defines the 3ilson < activity e5uation as a model
called 73ILS847%B using the %B eos + 7%B - as the vapour phase
model and ta6ing ;I%s from a #ipset called 3ilson$)
5
MODEL MWILSONMPR '*lo% $ MPR W*lo%/;
4ote that the MODEL command is also used to define transport
property mi1ture models. The following command sets up a viscosity
model called ML.CMPR +which uses a previouslyDdefined MPR -.
MODEL ML.CMPR L.C LFIT MPR;
#hase descriptors
The idea of a phase descriptor +%9- is central to the operation of
7ultiflash. The phase descriptor contains all the information re5uired
to identify a phase and to retrieve its thermodynamic and transport
properties. < %9 must #e specified for each possi#le phase that
7ultiflash is to consider. It is possi#le that only a su#set of the list of
possi#le phases will actually #e present at e5uili#rium. The ma1imum
num#er of %9s that may #e defined is currently 2, and the ma1imum
num#er of phases that may #e present at e5uili#rium is ..
7ultiflash is designed to allow the use of different thermodynamic
models for different phases and for different properties of a given
phase. The solution methods used do not ma6e any assumptions
a#out thermodynamic consistency #etween fugacity coefficients&
volumetric properties and thermal properties.
The phase descriptor for each phase is defined using the PD +or
p&$!)!cr*ptor- command +see p. .0-. The command sets up a
userDdefined identifier for the phaseF the phase type +eg li5uid-& plus
a list of model identifiers for fugacities& volume& enthalpy? entropy&
viscosity& thermal conductivity and surface tension. The %9 identifier
can #e any uni5ue name assigned #y the user& it is simply used as a
la#el& eg in the output& and does not have any other significance.
The list of models may #e terminated at any point #y the end mar6er
; and any models not specified will #e ta6en as undefined. < 0 in
place of a model identifier denotes Guse the last named modelC or
GundefinedC if the last model is unsuita#le for that property.
If the volume model is not defined then it is set to the fugacity model&
if the enthalpy?entropy model is not defined then it is set to the
volume model. If you need to calculate viscosity& thermal conductivity
or surface tension then a model must #e defined for each property
re5uired.
For e1ample&
PD &c1l*2"*) l*2"*) MPR;
defines a %9 called &c1l*2"*). The phase type is li5uid and all the
thermodynamic properties +fugacities& volume& enthalpy and entropy-
will #e calculated with the model MPR. 4o transport property models
are defined.
In the following e1ample the thermodynamic properties will #e
calculated using the model MPR +as no other models are defined for
volume or enthalpy?entropy D note the use of 0- and& in addition& the
viscosity will #e calculated using the viscosity model ML.CMPR. The
thermal conductivity and surface tension remain undefined.
PD &c1l*2"*) l*2"*) MPR 0 0 ML.CMPR;
The e1ample #elow adds a thermal conductivity model MCLSMPR and a
surface tension model MMCSMPR
PD &c1l*2"*) l*2"*) MPR 0 0 ML.CMPR MCLSMPR MMCSMPR;
@
*ey components
For phase e5uili#rium calculations involving more than one li5uid
phase the user may wish to define a 6ey component which is
associated with a phase descriptor. This is done #y using the
command 3E4& followed #y the %9 name& followed #y the name or the
C<B4 num#er of the 6ey component& eg.
3E4 l*2"*)5 '$t!r;
8r
3E4 l*2"*)5 6677859/:95;
where li5uid2 is a phase descriptor that has previously #een defined.
For more details see p. 0,.
Similarly the 6eyword %ot can also #e used to indicate that a
component should not #e present +or present in the smallest amount-
in a phase. For e1ample& to identify the nonDa5ueous li5uid phase in a
hydrocar#on?water pro#lem the following command could #e used)
3E4 l*2"*)/ %ot '$t!r;
8r
3E4 l*2"*)/ %ot 6677859/:95;
For many calculations it is not necessar! to define 6ey components.
7ultiflash will allocate the phase descriptors for multiple li5uid
phases in the order in which the phases are found. Aowever this
means that the same phase may appear in different columns of the
output as conditions change& eg L*2"*)5 may #ecome L*2"*)/.
For f*+!)p&$! calculations& when the fi1ed phase is one of the
li5uid phases& a 6ey component must #e defined #ecause 7ultiflash
has no other way of distinguishing #etween multiple li5uid phases.
(omposition
The compositions +or amounts of each component- are defined #y the
AMOUNTS command. The default units for amounts are mole num#ers
#ut they may #e changed using the "%*t and?or *%p"t"%*t and
o"tp"t"%*t commands +see p.2/-. The AMOUNTS command is
followed #y a list of values for all components& eg.
AMOUNTS .8 .8 .4 6.;
<n alternative form of the command allows the amount of an
individual component to #e changed or entered. The components for
which the amount is to #e changed can #e identified #y name or serial
num#er. ;ecause the serial num#er is an integer& the amount must
contain a decimal point& eg.
AMOUNTS m!t&$%ol 5.6;
or +if methanol is the third component-
AMOUNTS 8 5.6;
For more details see <mounts of components on p. 0$.
(alculation conditions
Calculation conditions are defined with the commands TEMPERATURE&
PRESSURE& ENTHALP4& ENTROP4& INTERNALENERG4 and ;OLUME +or
DENSIT4-& followed #y the numerical value. The volume and density
/
commands are e5uivalent D the value is interpreted as a volume or a
density depending on the input units set for volume?density. The
default units for all 5uantities are SI& ie temperature in (& pressure in
%a& energy in H?mol and volume in mol? m
3
.
For e1ample& the following command sets the temperature and
enthalpy
TEMPERATURE 856 ENTHALP4 95:.575;
<ll input conditions must #e defined #efore they are used. 8nce
defined they will remain in force until changed. For more details see
Commands for setting calculation conditions on p. 0$.
"oin+ a calculation
<ll the calculation commands are listed in the section starting on p.
0$. In general commands ending with the suffi1 FLASH are phase
e5uili#rium. < typical e1ample would #e PTFLASH for an isothermal
flash. ;efore using a calculation command the amounts and other
input 5uantities must #e specified.
7nits
The default units for input and output are SI. They may #e changed #y
the commands INPUTUNITS and OUTPUTUNITS respectively.
<lternatively the UNITS command sets #oth input units and output
units to the same unit. The commands are followed #y the 6eyword
for the property for which the units are to #e changed& eg
TEMPERATURE& followed #y the unit setting. 3here the unit relates to
more than one property eg enthalpy and internal energy& then the
units for #oth will #e changed if any one of them is altered. For more
details see Commands for changing units on page 2=.
The following e1ample sets the input units for temperature to degrees
Celsius& the output +display- units for pressure to mm of mercury& and
#oth input and output units for density to 6g?m
3
)
INPUTUNITS TEMPERATURE C;
OUTPUTUNITS PRESSURE mmH-;
UNITS )!%*t, <-=m8;
Chan$in$ the pro)lem
8nce a pro#lem has #een set up any of the specifications may #e
changed #y use of the commands already descri#ed. <ll specifications
remain fi1ed until changed or reset.
The command REMO;E is used to remove +or undefined- related
groups of specifications which may #e $ll& #*p!t & mo)!l&
compo%!%t& p)> tr!$mt,p! . R!mo?! $ll removes all ;I% data&
models& components& phase descriptors and stream types and resets
the units #ac6 to the values they had when 7ultiflash was started& ie
any units set in the mfco%f*-.)$t file are 6ept. For more details see
p. $$$.
'rror messa$es and dia$nostics
3hen errors occur an error num#er will appear followed #y a single
line description of the error& eg.
0
000 ERROR 5/6 000
Lo$)*%- compo%!%t from )$t$ #$%< &$ f$*l!) 9 D*$-%ot*c @ compo%!%t %"m#!r
DIAGNOSTIC /
For further information HELP followed #y the error num#er will
usually provide more information. eg.
&!lp 5/6;
000 ERROR 5/6 000
Mo)"l!A M"lt*fl$& comm$%) proc!or
S"#pro-r$mA MFCOMP
ErrorA 5/6
M"lt*fl$& &$ tr*!) to lo$) t&! )$t$ for $ compo%!%t from t&! )$t$
f*l!=)$t$ #$%< *%to t&! p"r!9compo%!%t )$t$ ,t!m. T&! lo$) proc!)"r!
&$ f$*l!).
D*$-%ot*cA B/C Compo%!%t %"m#!r
The GmoduleC is the section of 7ultiflash in which the error occurred.
The Gsu#programC name is intended for use #y Infochem technical
support. The final line of the a#ove e1ample shows a GdiagnosticsC
message which identifies further information that is printed out after
the error message. In this case it shows that component num#er $
caused the pro#lem.
The diagnostic level setting +not related to the diagnostics mentioned
a#ove- provides a way of getting more information a#out the progress
of a calculation. The diagnostic information is primarily for use #y
Infochem in trac6ing down errors and is not intended to #e
meaningful in general use. The normal level is ,& higher levels& up to
/& give more information& lower levels& down to D2& give less. These are
set using the command SET )*$-%ot*c followed #y an integer
value for the diagnostic level& eg.
SET )*$-%ot*c 8;
9iagnostics are switched off #y SET %o)*$-%ot*c;
9utput
The commandDline version of 7ultiflash produces output on the
screen and in the log file +see #elow-. 8ther interfaces provide output
in the most appropriate form& eg the :isual ;asic programming
interface can return output in a character string or via function
arguments.
8utput is produced in response to a calculation command. The
commands SHOW and WRITE may also #e used to provide information&
see The SA83 and 3BIT! commands on p. 22. For e1ample&
SHOW r!"lt;
will reproduce the results of the last calculation. 8utput to the screen
will pause once a set num#er of lines have #een displayed. The
default value is 24 lines. This may #e changed using the command
SET l*%! followed #y the num#er of lines. SET %ol*%!& means
there will #e no pause if the num#er of lines set e1ceeds the num#er
that can #e seen on the screen.
To produce a permanent record of the results the command WRITE&
followed #y a filename& followed #y r!"lt will send the last set of
results to the named file which can then #e edited or printed.
The commandDline version writes all input and output to a log file&
called 7FL<SA.L8@. This file can #e e1amined using a standard <SCII
te1t editor. This log file is overwritten #y the ne1t run of 7ultiflash
and should #e renamed if it is to #e retained.
2
7ultiflash provides several levels of physical property output&
specified #y SET p&,prop followed #y a code& which is made up of
the num#ers ,& $ or 2& optionally followed #y the letters <&9&!&F I T
depending on what outputs are re5uired.. The "ero setting produces
minimum output of phases and compositions& $ adds
thermal?volumetric properties and 2 adds derivatives such as Cp and
Cv and also the speed of sound. The < adds the activity coefficients of
the components in each phase. The 9 adds the diffusivity. The ! code
adds thermal properties calculated relative to elements in their
standard states +at 220( and $atm- which are useful for chemical
reaction studies. The F adds the fugacity coefficients. The T code adds
transport properties. In all cases output will only #e produced if the
relevant models have #een defined. For e1ample& to list all
thermodynamic and transport properties
SET p&,prop 5;CS;
Model confi$uration files
%ro#lem definition can #e viewed as falling into two #road categories&
those parts which usually remain fi1ed and those which can vary
fre5uently. !1amples of the former would #e the sources of data& the
models used and the phase descriptors. 8n the other hand
specifications which may change are the components& the
compositions and the calculation conditions.
In order to minimise effort for the user Infochem has set up a series
of model configuration files +suffi1 .mfl-& which define the more
static elements of the pro#lem. !ach model configuration file
corresponds to a model or group of models with a particular set of
model variants. For e1ample r<.mfl defines the B(S model. The
.mfl files are supplied as part of the software distri#ution.
'1ample Calculation
The following e1ample sets up the models and phase descriptors for
investigating hydrate formation.
r!mo?! $ll;
"%*t t!mp!r$t"r! 3 pr!"r! P$ !%t&$lp, D=mol
!%trop, D=mol=3 ?ol"m! m8=mol $mo"%t mol ?*co*t,
P$ t&co%) W=m=3;
p"r!)$t$ *%fo)$t$;
#*p!t R3SA.IP8 8 co%t$%t !o %o%! ;
#*p)$t$ INFO.IPS OILANDGAS4 ;
mo)!l MR3SANRTL R3SA PSAT LDEN NRTL R3SA.IP8;
mo)!l MH4D/MR3SANRTL H4DRATE I MR3SANRTL;
mo)!l MH4D5MR3SANRTL H4DRATE II MR3SANRTL;
mo)!l MICEMR3SANRTL FREEEEOUT 6677859/:95FWATERF
MR3SANRTL;
p) GAS -$ MR3SANRTL;
p) LIGUID/ l*2"*) MR3SANRTL;
p) H4DRATE/ &,)r$t! MH4D/MR3SANRTL;
p) H4DRATE5 &,)r$t! MH4D5MR3SANRTL;
p) ICE co%)!%!) MICEMR3SANRTL;
p) WATER l*2"*) MR3SANRTL;
<!, WATER 6677859/:95FWATERF;
<!, LIGUID/ %ot 6677859/:95FWATERF;
The components and their amounts are now specified. < series of
isothermal flashes is performed at varying temperatures ta6ing a
fi1ed pressure JsliceJ across the phase diagram. The onset of hydrate
1!
formation at a given pressure is predicted as well as the temperature
at which a fi1ed amount of hydrate will form. Calculation of the ice
point at the given pressure is shown.
compo%!%t m!t&$%! #"t$%! '$t!r;
$mo"%t .4H .4H .65;
pr!"r! /!5;
F C&$%-! T $t f*+!) pr!"r! to cro p&$! )*$-r$m
t!mp!r$t"r! 556;ptfl$&;
t!mp 566; ptf;
t!mp 556; ptf;
t!mp 5H6; ptf;
t!mp 866; ptf;
F "! t&! f*+!)p&$! fl$& to loo< for t&!
F t!mp!r$t"r! $t '&*c& &,)r$t! f*rt form
f*+!)p&$! &,)r$t!5 6.6;pfr$cf;
F r!p!$t t&! c$lc"l$t*o% to loo< for t&! form$t*o%
F of /I Bmol$rC &,)r$t!
f*+!)p&$! &,)r$t!5 6.6/;pfr$cf;
F "! t&! $m! f*+!)p&$! opt*o% to loo< for t&!
F *c! l*%! $t / #$r
f*+!)p&$! *c! 6.6;pfr$cf;
11
6ata)an5s and components
Commands for settin$ component data)an5s
#%$E"ATA
The PUREDATA command sets the default data#an6 for pure
component properties for components that may #e present.
The command has the following format
PUREDATA )$t$#$%<1%$m!;
)$t$#$%<1%$m! may #e one of the following)
data)an5Aname Meanin$
INFODATA Infochem fluids data#an6
DIPPR 9I%%B data compilation of pure
compound properties& from <ICh!.
Be5uires separate licence. See separate
documentation.
PPDS 4!L %%9S2 data#an6. Be5uires separate
licence.
ERASE erases +removes- currently defined
data#an6
8ther data#an6s& typically containing usersC own data& in one of the
standard formats may #e specified as follows)
PUREDATA )$t$#$%<1t,p! f*l!1%$m!/ f*l!1%$m!5;
The )$t$#$%<1t,p!& associated f*l!1%$m!/ and f*l!1%$m!5 are
defined in the following ta#le.
6ata)an5Atpe reBuired files >otes
OWNINFODATA $. data#an6 inde1
2. data#an6 +.#in-
file
files must
correspond to the
Infodata structure
OWNPPDS $. data#an6 inde1
2. data#an6 file
3. model parameter
data#an6
files must
correspond to the
%%9S2 structure
1%
Loadin$ components from a data)an5
(!M#!NENTS
The COMPONENTS command loads normal components that may #e
present in mi1ed fluid and solid phases. !ach component name is
searched for in the currently defined fluid components data#an6 +see
PUREDATA command-.
The command has the following format)
COMPONENTS !%tr,1mo)! % %$m!1/ %$m!15 %$m!18 J.;
!%tr,1mo)! may #e either *%!rt& o?!r'r*t! or $m!%). If omitted
the default mode is o?!r'r*t!.
% is an integer serial num#er that defines the position of the first
component +%$m!1/- in the component list. If % is omitted it is ta6en
as the last component currently defined. The current version of
7ultiflash allows up to 2,, components to #e defined.
N$m!1/ %$m!15 etc. must #e valid component names for the
data#an6 currently defined with the p"r!)$t$ command. If a name
has em#edded spaces or commas then it should #e enclosed in
inverted commas& eg Kc$r#o% )*o+*)!K .
In *%!rt mode each new component causes the component to #e
inserted in the e1isting list of components at position % +or at the end
if n is omitted- without deleting any of them. This is done #y
incrementing the num#ers of e1isting components as necessary.
In o?!r'r*t! mode& any e1isting component of the same component
num#er will #e replaced #y the newly defined component.
In $m!%) mode& the component is left unaltered e1cept its name
and?or physical properties will #e overwritten #y any new value
entered #y the user +see #elow-.
For e1ample& the following commands load three components from
the 9I%%B data#an6 and the fourth component from the Infodata
data#an6.
PUREDATA DIPPR;
COMPONENTS m!t&$%ol &,)ro-!% Lc$r#o% mo%o+*)!K;
PUREDATA I%fo)$t$;
COMPONENTS o+,-!%;
I!NS
This command is li6e the C87%84!4TS command e1cept that
it defines an ion as a component in the fluid mi1ture& for
e1ample)
PUREDATA I%fo)$t$;
IONS C$MM Cl9;
SEGMENTS
This command is used to define a segment from which a
polymer is constituted. It is used for the %CDS<FT model. <
segment is not a true component& so it is not normally read
from a data#an6. See #elow for an e1ample.
14
6ata entr for a normal component
"efinin+ a new component
The usual +and recommended- way of defining pure components is to
use the PUREDATA command to define a data#an6 and then to use the
COMPONENTS command to select components from that data#an6. <ny
num#er of data#an6s may #e used #y repeating this se5uence for
each data#an6. The PETROFRACS command +p.2=- is provided for
defining petroleum fraction pseudocomponents. In addition& the user
may define components #y entering data directly into 7ultiflash. This
techni5ue can #e used to define all the necessary data for a
compound or to overwrite selective data items for a component
already defined from a data#an6.
9irect data entry can #e 5uite comple1 and re5uires a detailed
understanding of the way the data are used #y the mi1ture models
and of the correlating e5uations used to represent pure component
properties. It is not recommended that you attempt to define
components in this way unless there is no alternative. Aowever& if you
do wish to proceed& the #est method is to prepare the data in the
form of an pro#lem setup file which can then #e corrected as
necessary.
9ata items are entered using the COMPONENTS command as follows.
COMPONENTS !%tr,1mo)! % compo%!%t1%$m! DATA
prop!rt,1%$m!/ prop!rt,1?$l"!/
prop!rt,1%$m!5 prop!rt,1?$l"!5J. ;;
To create a new component !%tr,1mo)! should #e either o?!r'r*t!
or $m!%) +see a#ove-.
N is an integer serial num#er that defines the position of the
component in the component list. If % is omitted it is ta6en as the last
component currently defined.
Compo%!%t1%$m!. Is the userDdefined name for the new component. It
may #e a string up to .2 characters in length. If it contains em#edded
spaces or commas then it should #e enclosed in inverted commas.
The DATA 6eyword mar6s the start of data entry for the compound.
The end of data for a component is denoted #y a semiDcolon. <
second semiDcolon is needed to terminate the COMPONENTS command.
The Prop!rt,1%$m! must #e one of the 6eywords listed in the
sections %ure component constant properties +p.$. - and %ure
component temperatureDdependent properties +p.$2-. The
Prop!rt,1?$l"! is one or more num#ers that define a simple
constant property such as the critical temperature or the coefficients
in a correlation for a temperatureDdependent property such as the
vapour pressure.
Example
The following is a description of a typical data entry se5uence. The
command PUREDATA !r$! cancels any current data source and
allows a new& nonDdata#an6& component to #e defined. <ll
components loaded prior to this remain defined. The new component
is then defined using the COMPONENTS command.
For any constant property the data entry is relatively straightforward&
eg Pcr*t 46.5!5. The situation is a little more comple1 for
temperature dependent properties. It is necessary to define the
property name& e5uation num#er and correlation coefficients. The
15
information given in %ure component temperatureDdependent
properties +p.$2- defines the relevant property names& e5uation
num#ers and details of the coefficients re5uired.
For some 5uantities& eg. for parachor or dipole moment& there are
fi1ed unitsF for other 5uantities units are assumed to #e as the
current input units setting. There is no unit conversion when entering
coefficients of temperature dependent pure component propertiesF
these are all in standard SI units.
For e1ample& to add a component)
PUREDATA !r$!;
COMPONENTS 8 %$p&t&$l!%! )$t$
m' /5:./75
t#o*l 4H/./4
tm!lt 858./5
pcr*t .465/!67
tcr*t 74:.4
$c!%tr*cf$ctor .868
cp*)!$l / 4.6 55.6 /N6 /.:6NN5 9N.64H/ /7.:N47
9/5.465: 6 /6666
l)!% 4 N/N.74 6.55478 74:.85 6.57855 888./5 74:.85
p$t 8 97./H:7H .75665 95.58:5: 98.7:H/H 858./5
74:.4; ;
4ote that two end mar6ers are needed. The first defines the end of
the )$t$ command& the second the end of the compo%!%t command.
Amendin+ data for an e)istin+ component
The procedure is similar to setting up a new component e1cept that
the some data for the component must already have #een entered.
This is done either #y loading the component from a data#an6 or #y
defining some data as descri#ed a#ove.
9ata items are entered or overwritten using the COMPONENTS
command as follows.
COMPONENTS !%tr,1mo)! % compo%!%t1%$m! DATA
prop!rt,1%$m!/ prop!rt,1?$l"!/
prop!rt,1%$m!5 prop!rt,1?$l"!5J. ;;
The command parameters are as descri#ed for the case of creating a
new component.
Example
To change the critical temperature for a component as it is loaded
from a data#an6F
PUREDATA I%fo)$t$;
COMPONENTS &,)ro-!% )$t$ tcr*t 86;;
The following e1ample is e5uivalent to the first one. Several
components are loaded and then the properties of component $ are
changed)
PUREDATA I%fo)$t$;
COMPONENTS &,)ro-!%> !t&$%!> m!t&$%!;
COMPONENTS $m!%) / )$t$ tcr*t 86;;
1@
#ure component constant properties
The property units are given in parentheses where applica#le. 'nits
for other properties may #e set #y the UNITS or INPUTUNITS
commands.
Ce<ord *ropert description
CARNUM.ER Chemical a#stracts registry num#er. The format is) =
digits D2 digitsD$ digit. Eg ,,.44,D3.D$
FORMULA Chemical formula + up to 2, character -
FAMIL4CODE Chemical family code + up to 2, character -
UNIFAC '4IF<C su#groups and a#undance
MOLECULARWEIGHT OR
MW
relative molar mass +molecular weight in g?mol-
TCRIT critical temperature
PCRIT critical pressure
;CRIT critical volume
ACENTRICFACTOR acentric factor defined as
1
10
log p
r
at T
r
0 7 . & where T T T
r c
/
and p p p
r sat c
/
T.OIL normal #oiling point
HFORMATION standard enthalpy change on formation in the perfect
gas state at 220.$/(
SSTANDARD standard entropy in the perfect gas state at 220.$/(
and $#ar
TMELT normal melting point
HMELT enthalpy change on fusion at the melting point
SMELT entropy change on fusion at the melting point
CPMELT solid?li5uid difference in Cp at the melting point
;MELT solid?li5uid difference in molar volume at the melting
point
RUNIGUAC '4I'<C r parameter
GUNIGUAC '4I'<C 5 parameter
THLWATER characteristic temperature for AenryCs Law correlation
for component in water +( -
;HLWATER characteristic volume for AenryCs Law correlation for
solu#ility of a component in water + m3?mol -
DIPOLEMOMENT dipole moment +de#ye-
POLARIEA.ILIT4 %olari"a#ility of component in L
3
GUADRUPOLEMOMENT uadrupole moment in 9e#ye L
PARACHOR
parachor + +dyne?cm-
M
cm
3
?mol -
RADG4R radius of gyration +m-
HOCASS Aayden 8CConnell self association parameter
GFORMATION @i##s energy of formation in the perfect gas state at
220.$/( and $ #ar
TTRIPLE triple point temperature
PTRIPLE triple point pressure
HCOM.USTION enthalpy of com#ustion
;55 molar volume at 220.$/( for use with solu#ility
parameters
SOLUPAR li5uid phase solu#ility parameter
SOLIDSOLUPAR solid solution phase solu#ility parameter
1/
ECRIT critical compressi#ility factor
REFRACTINDEO refractive inde1
TFLASH flash temperature
TAUTO autoignition temperature
FLAMLOWER lower flamma#ility limit +volume N in air-
FLAMUPPER upper flamma#ility limit +volume N in air-
SPGRA;IT4 OR SG specific gravity at =, OF
EOPANSI;IT4
Thermal e1pansivity of li5uid at $ atm and =, F +(
D$
-
OMASCALE Scaling factor to give conventional value of Pa for
cu#ic !8S
OM.SCALE Scaling factor to give conventional value of P# for
cu#ic !8S
OMAR3S Scaling factor to give conventional value of Pa
specific to B(S model.
OM.R3S Scaling factor to give conventional value of P#
specific to B(S model.
OMAPR Scaling factor to give conventional value of Pa
specific to %B model.
OMAPR Scaling factor to give conventional value of P#
specific to %B model.
CNUM.ER Car#on num#er for petroleum fractions
REF;ISCOSIT4 reference viscosity for li5uid at the #oiling point
REF;ISST reference viscosity for li5uid at the #oiling point for
S'%!BTB<%% viscosity model
REF;ISPD reference viscosity for li5uid at the #oiling point for
%edersen viscosity model
REF;ISTW reference viscosity for li5uid at the #oiling point for
Two model
REF;ISL. reference viscosity for li5uid at the #oiling point for
L;C model
LDE;ISC LennardDHones parameter +m-
LD.;ISC
LennardDHones / k parameter for viscosity + ( -
EOSC Corresponding states reference e5uation code
T4PE The type of components.
HDATUM 8ptions for calculating enthalpy
$ for compound
2 for elements
3 for standard enthalpy + 220.$/( -
SDATUM 8ptions for calculating entropy
$ for compound
2 for elements
3 for standard entropy + 220.$/(& $ #ar -
COMPREFNO The component reference num#er
H4DOC Aydrate cavity occupation codes
H4D/ Aydrate parameter $
H4D5 Aydrate parameter 2
H4D8 Aydrate parameter 3
ASS.ETA C%< parameter
ASSEPSILON
C%<
AB
parameter +
mol J /
-
ASSGAMMA C%<
AB
parameter
ASSDELTA
C%<
AB
parameter + K
1
-
10
ASSFF 4um#er of association sites + C%< -
ASSAC
C%<
c
a
parameter + Jm
3
/ mol
2
-
ASS.C
C%< b parameter +
mol m /
2
-
ASS3APPA C%< parameter
SAFT3APPA %CDS<FT parameter
SAFTEPSILON %CDS<FT
AB
parameter
SAFTGAMMA %CDS<FT
AB
parameter
SAFTFF 4um#er of association sites + %CDS<FT -
SAFTE3
%CDS<FT k / parameter
SAFTSIGMA
%CDS<FT parameter
SAFTLAM.DA
%CDS<FT parameter
SAFTM
%CDS<FT mparameter
MCR3S/ First 7athias Copeman parameter with B(S< model
MCR3S5 Second 7athias Copeman parameter with B(S< model
MCR3S8 Third 7athias Copeman parameter with B(S< model
MCPR/ First 7athias Copeman parameter with %B< model
MCPR5 Second 7athias Copeman parameter with %B< model
MCPR8 Third 7athias Copeman parameter with %B< model
;SR3S/ The first volume shift parameter + m3?mol - with eos
B(S<
;SR3S5 The second volume shift parameter + m3?mol ( - with
eos B(S<
;SR3S8 The third volume shift parameter + m3 (?mol -
;SPR/ The first volume shift parameter + m3?mol - with eos
%B<
;SPR5 The second volume shift parameter + m3?mol ( - with
eos %B<
;SPR8 The third volume shift parameter + m3 (?mol - with
eos %B<
CPIDLIG Set to $ to use the pure li5uid enthalpy as reference
for e1cess energy models
#ure component temperature&dependent
properties
The form of each correlation is defined #elow. %roperty units are
given in parentheses. They are fi1ed and are not affected #y the UNITS
or INPUTUNITS command.
The format re5uire for each property correlation is
prop!rt,1%$m! !2"$t*o%1%"m#!r co!ff*c*!%t Tm*% Tm$+;
prop!rt,1%$m! is one of the 6eywords from the following ta#le.
!2"$t*o%1%"m#!r identifies the correlation.
co!ff*c*!%t are the numerical values of the correlation
coefficients. The num#er of coefficients re5uired depends on the
e5uation num#er.
Tm*% and Tm$+ are the minimum and ma1imum temperature limits
for the correlation in (.
12
Keyword 'Buation
num)er
:dditional information
CPIDEAL ideal gas Cp correlation +H?mol (-
, data un6nownF , coefficients
$ Aarmens method& 2 coefficients
a3& a4& a/& a=& a.& a0& a2& Tmin& Tma1
( ) ( ) ( )
C R a a a y y F y
p
/ ( ) + +
3 3
2
1 1
where F y a a y a y a y ( ) + + +
! 7 "
2
#
3
&
y
T
T a
+
$
2 9I%%B e5uation $,.& . coefficients
a3& a4& a/& a=& a.& Tmin& Tma1
( ) ( )
C a a
a T
a T
a
a T
a T
p
+

_
,
+

_
,
3
$
$
2
!
7
7
2
/
sinh /
/
cosh /
/ 9I%%B e5uation $,,& . coefficients
a3& a4& a/& a=& a.& Tmin& Tma1
C a a T a T a T a T
p
+ + + +
3 $
2
!
3
7
CPLIGUID li5uid Cp correlation +H?mol (-

, data un6nown& , coefficients
$ 9I%%B e5uation $$4& 2 coefficients
a$& a2& a3& a4& a/& a=& a.& Tmin& Tma1
C a a a a a a a
p
+ + + + + +
1 2 3
2
$
3
!
7
$
/
where 1 T T
c
/
a$& a2& a3& a4& a/& Tmin& Tma1
C a a T a T a T a T
p
+ + + +
1 2 3
2
3
$
CPSOLID solid Cp correlation +H?mol (-

C a a T a T a T a T
p
+ + + +
1 2 3
2
3
$
PSAT saturated vapour pressure +%a-

$ 3agner +form $- / coefficients
a$& a2& a3& Tmin& Tma1
ln ln p p
a a a
T
c
r
+
+ +
1 2
2
3
3

where T T T
r c
/ & 1 T
r
2 <ntoine e5uation& 2 coefficients
a$& a2& a3& a4& a/& a=& a.& Tmin& Tma1
ln ln p a
a
T a
a T a T
a
T
a
+
+
+ + +
1
2
3
$
7
2
!
4ote that if the third term is unused a4 should #e set to , and
a= must #e set to a positive value such as $.,.
3 3agner +form 2-& = coefficients
a$& a2& a3& a4& Tmin& Tma1
2!
ln ln p p
a a a a
T
c
r
+
+ + +
1 2
3
2
3
3
!

where T T T
r c
/ & 1 T
r
4 3agner +form 3-& = coefficients
ln ln p p
a a a a
T
c
r
+
+ + +
1 2
3
2
3
$
2
$

where T T T
r c
/ & 1 T
r
p a a T a T a T a T + + + +
1 2 3
2
3
$
H;AP enthalpy of vaporisation correlation +H?mol-

$ 3atson?9I%%B $,= e5uation& . coefficients
H a
Y
where Y a a T a T a T
r r r
+ + +
2 3
2
$
3
& T T T
r c
/ &
T T T
r c
/ & 1 T
r
2 3agner type e5uation for enthalpy of
vaporisation& 2 coefficients
a$& a2& a3& a4& a/& a=& a.& Tmin& Tma1
!
7
2
!
3 / $
$
3 /
3
3 / 2
2
3 / 1
1
/

a a
a a a a a RT H
c
+ +
+ + + +
where 1 T T
c
/
H a a T a T a T a T + + + +
1 2 3
2
3
$
LDENS saturated li5uid density correlation +mol?m3-

$ Infochem e5uation& / coefficients
3
2 1
a
a a +
where 1 T T
c
/
2 Aan6inson and Thompson e5uation
+modified-& = coefficients
+ + + + 1
1
1
3
2
2
3
3
3
/ V a a a a
c
where 1 T T
c
/
4ote that in the a#ove e5uation
is the mass density and :c

is the critical volume "er unit mass
3 Bac6ett e5uation +modified-& / coefficients
( ) 1
1 2 3
/ + a a a
Y
21
where
Y + 1
2
7
& 1 T T
c
/
4 9I%%B e5uation $,/& = coefficients
1
2 1
/ / a a
Y
where
( ) Y T a
a
+ 1 1
3
/
+ + + + a a T a T a T a T
1 2 3
2
3
$
SDENS solid density correlation +mol?m3-

+ + + + a a T a T a T a T
1 2 3
2
3
$
LTHCOND li5uid thermal conductivity correlation +3?m (-

$ Hamieson e5uation& = coefficients
+ + +
_
,
a a a a
1 2
1
3
3
2
3
1
where 1 T T
c
/
2 9I%%B e5uation $,$& . coefficients
ln / ln + + + a a T a T a T
a
1 2 3
$
+ + + + a a T a T a T a T
1 2 3
2
3
$
;THCOND vapour thermal conductivity correlation +3?m (-

$ 9I%%B e5uation $,2& = coefficients

+ +
a T
a T a T
a
1
3
2
2
1 / /
2 Beduced correlation& = coefficients

+ + +
T
a a T a T a T
r
r r r 1 2 3
2
3
where T T T
r c
/
3 7onatomic ideal gas& 2 coefficients& Tmin& Tma1
37$0
0
R M /
+ + + + a a T a T a T a T
1 2 3
2
3
$
L;ISC li5uid viscosity correlation +%a s-

$ Beid& %rausnit" and %oling e5uation $&
4 coefficients a$& a2& Tmin& Tma1
22
a T
a
1
2
2 9I%%B e5uation $,$& . coefficients
ln / ln + + + a a T a T a T
a
1 2 3
$
3 Beduced correlation& . coefficients
( ) ln / a a X a X
$ 1
1
3
2
3
+
where
X
a a
T a
1
4 Beid& %rausnit" and %oling e5uation 2?3& =
coefficients a$& a2& a3& a4& Tmin& Tma1
ln / + + + a a T a T a T
1 2 3
2
+ + + + a a T a T a T a T
1 2 3
2
3
$
;;ISC vapour viscosity correlation +%a s-

$ 9I%%B e5uation $,2& = coefficients

+ +
a T
a T a T
a
1
3
2
2
1 / /
2 Beichen#erg e5uation& / coefficients
( ) ( )

+
a T
a T T
r
r
a
r
1
2
1
!
1 1
3
where T T T
r c
/
3 ChapmanD!ns6og e5uation& / coefficients
( )
( )

2!!# 10
7
1
2
1
2 2 2
3
.
%
% &
MT
a T a
where
( ) ( )
2 2
3
2
0 2
% & & & &
e'p e'p . / + + +
AT C DT E FT a T
B
T T a
&
/
2
&
A 11!1$ .
&
B 01"7 .
&
C 0$2"7 .
&
D 0 77320 .
&
E 21!17" .
&
F 2 37"7 .
+ + + + a a T a T a T a T
1 2 3
2
3
$
STENSION surface tension correlation +4?m-

$ 9I%%B e5uation $,=& . coefficients
a$& a2& a3& a4& a/ Tmin& Tma1
( ) a T
r
Y
1
1
where Y a a T a T a T
r r r
+ + +
2 3
2
$
3
& T T T
r c
/
2 !1tended Sprow and %rausnit" e5uation& /
2%
coefficients a$& a2& a3& Tmin& Tma1
( ) + a a
a
1 3
2
1
where 1 T T
c
/
+ + + + a a T a T a T a T
1 2 3
2
3
$
;IRIALCOEFF second virial coefficient correlation +m3?mol-

$ 9I%%B e5uation $,4& . coefficients
a$& a2& a3& a4& a/ Tmin& Tma1
B a a a a a + + + +
1 2 3
3
"
$
#

where T T
c
/
B a a T a T a T a T + + + +
1 2 3
2
3
$
DIELECTRIC relative permittivity?dielectric constant correlation

$ 7aryottDSmith e5uation $& = coefficients
3
2
3 2 1
T a T a T a a + + +
2 7aryottDSmith e5uation 2& 4 coefficients
a$& a2& Tmin& Tma1
( ) T a a
2 1
e'p +
3 Infochem e5uation& = coefficients
( )
3
2
3 2 1
e'p 1 T a T a T a a +
#ure component %nifac sub+roup structure
The specification of 'nifac su#group structure is more comple1 as it
re5uires a se5uence of su#group identifiers followed #y molecular
a#undances. The a#undances are normally integers& #ut 7ultiflash can
accept nonDinteger values. 7ultiflash allows up to $, different
su#groups to #e specified in any one component. 7ultiflash uses a set
of generic su#groups that are used to define su#groups structures for
all variants of 'nifacF details are given in the section of the 'nifac
model. If the user refers to a su#group #y a name that is not
recognised #y 7ultiflash& it is ta6en to #e a new userDdefined
su#group. 7ultiflash allows up to $, userDdefined su#groups to #e
defined at any one time.
Example
COMPONENTS L/>89#"t$%!)*olK )$t$ "%*f$c CH8 / CH5 5
CH / OH / 9OH /;;
"efinin+ polymers usin+ se+ments
It is useful to define polymers for the %CDS<FT model&
especially copolymers& from polymer segments. So initially a
num#er of segments are defined& for e1ample for monomeric
groups of the polyethylene and polypropylene polymers)
24
SEGMENTS S!-PE )$t$ $ft*-m$ 4.65/7!9/6 $ft!<
555.6 m' 8:.658; S!-PP )$t$ $ft*-m$ 4./666!9/6
$ft!< 5/7.6 m' 48.8:4;
!ach segment must #e given values for its S<FTSI@7< and
S<FT!( parameters as well as its molecular weight. <
copolymer of polyethylene and polypropylene can now #e
defined using the S<FT;849 property and the molecular
weight.
COMPONENTS PEP47 )$t$ $ft#o%) S!-PE 6./55 S!-PP
6.:75 6 m' 58N666 tcr*t /6666 pcr*t /6666
$c!%tr*cf$ctor 5.5;
The S<FT #ond fractions are the lower left triangle of a matri1
defining the #ond fractions in the polymer chain #etween the
named segments. The critical temperature& critical pressure
and acentric factor are only used to provide starting estimates
for phase e5uili#rium calculations& and have no impact on the
converged results given #y the %CDS<FT model. 4ote that in the
fluid composition& the amounts of the segments must all #e set
to "ero& as the segments are not real components of the
mi1ture.
For a discussion of the copolymer method& see Modeling of
"ol!mer "hase e#uili$ria using Pertur$ed%Chain &'() #y
Tuma6a6a& @ross and Sadows6i in Fluid %hase !5uili#ria& $24D
$2.& /4$& +2,,2-. The definition of the #ond fractions is given
#y Tuma6a6a& @ross and Sadows6i& +although their e1amples of
actual values of #ond fractions are not realistic-.
Minimum data requirements
The minimum data re5uired to perform any phase e5uili#rium
calculation with 7ultiflash using the #asic e5uations of state is the
critical temperature& critical pressure and acentric factor for each
component. The data re5uirements are model dependent and models
other than the e5uations of state re5uire additional data. Isenthalpic
and isentropic calculations also re5uire coefficients for the idealDgas
Cp values for each component. To wor6 in mass units rather than in
molar units the molecular weight is re5uired.
Chemical e5uili#rium calculations using the #asic e5uations of state
re5uire the critical temperature& critical pressure& acentric factor& Cp
values& enthalpy of formation& standard entropy and chemical formula
for each component. <gain& other models re5uire additional data.
*etroleum fractions
%etroleum fractions or pseudo components are commonly used in
modelling oil and gas processing operations. < petroleum fraction
may #e used to represent the aggregate properties of comple1
mi1tures that are split into fractions of roughly constant #oiling point
#y gas chromatography or standard tests such as <ST7 distillation.
(haracterisation methods
The CHARDATA command sets the characterisation methods that will
#e used when defining petroleum fractions +PETROFRAC and
25
P;TANAL4SIS commands-. In this conte1t the characterisation method
refers to the set of correlations that are used to estimate the
properties of a petroleum fraction #ased on the information supplied&
eg molecular weight and specific gravity. The correlations are used
to estimate all the properties that are normally re5uired for e5uations
of state and #asic transport property models. These properties
include) molecular weight& #oiling point& critical temperature& critical
pressure& critical volume& parachor& dipole moment& solu#ility
parameter& enthalpy of formation& standard entropy& perfect gas Cp&
vapour pressure& enthalpy of vaporisation& saturated li5uid density&
saturated li5uid viscosity& saturated li5uid Cp and saturated surface
tension. <ny property values supplied in the PETROFRAC command
are used in preference to estimated values.
The CHARDATA command has the following format)
CHARDATA m!t&o)1*) T.1?$r*$%t ;
The possi#le values for command parameters are defined in the
following ta#le
parameter Value comments
m!t&o)1*) INFOCHAR The default set of correlations
recommended #y Infochem.
T;?73?S@ are related #y the Soereide
correlation +see #elow- and critical
properties are estimated #y the LeeD
(esler correlations) (esler& 7.@.& and Lee&
;.I.& Im"ro*e "redictions of enthal"! of
fractions& Aydrocar#on %roc.& //+3-& $/3
+$2.=-
T.1?$r*$%t T.SOEREIDE The default variant for *%foc&$r.
Specifies the Soereide correlation form
T; in terms of 73 and S@. See) ;rule&
7.B. and 3hitson& C.A+ &PE Phase
$eha*iour monogra"h& +$22=-.
8nly valid for *%foc&$r.
T.API Specifies the <%I Technical 9ata ;oo6
%rocedure 2;2.2 procedure for 73 in
terms of T;. and S@.
8nly valid for *%foc&$r.
"efinin+ petroleum fractions
To define a petroleum fraction the user must supply some #asic
information using the PETROFRACS command. It has the following
format)
PETROFRACS !%tr,1mo)! compo%!%t1%o compo%!%t1%$m!
p!trol!"m1t,p! DATA prop!rt,1%$m!/ ?$l"!/
prop!rt,1%$m!5 ?$l"!5 J ;;
!%tr,1mo)! may #e either *%!rt& o?!r'r*t! or $m!%). If omitted
the default mode is *%!rt +see description of COMPONENTS
command-.
compo%!%t1%o is an integer that determines where the petroleum
fraction is placed in the list of components used #y 7ultiflash. It may
#e omitted in which case it is ta6en to #e the last component in the
current list.
compo%!%t1%$m! is a userDdefined name for the petroleum fraction.
2@
P!trol!"m1t,p! is a 6eyword for mar6ing whether the petroleum
fraction is normal fraction or asphaltene or resin or normal paraffin
or isoDparaffin. This 6eyword is optional and may #e omitted. If it is
omitted& the default setting is normal fraction. It #ecomes important
when asphaltene association model is used. For the Coutinho wa1
model& the normal paraffins are re5uired in the calculations.
The DATA 6eyword sets the information on the physical properties of
the petroleum fraction. It must #e followed #y a series of
prop!rt,1%$m! 6eywords and the corresponding property values.
The most useful property 6eywords are listed #elow.
Ce<ord 6etailed information
MOLECULARWEIGHT OR MW molecular weight +g?mol-
SPGRA;IT4 OR SG S@=,?=,& i.e. specific gravity at
=,F relative to water at =,F
T.OIL 4ormal #oiling point
TCRIT Critical temperature
PCRIT Critical pressure
ACENTRICFACTOR %it"er acentric factor
;ISCOSIT4 :iscosity at true #oiling point
It is not necessary to supply all of the properties listed. The more data
provided the #etter& #ut the minimum input sets are a car#on num#er
or any two of molecular weight& specific gravity and #oiling point or
all three of) critical temperature& critical pressure and acentric factor.
The specific gravity& molecular weight and #oiling point are usually
availa#le for heavy fractions. The alternative of defining critical
properties and the acentric factor allows direct transfer of
pseudocomponents from a process simulator into 7ultiflash.
<lthough it is not usual& an! of the constant or temperatureD
dependent properties stored in the INFODATA data#an6 could #e
specified in the data list.
The units of the #oiling point& critical temperature and critical
pressure are set #y the UNITS or INPUTUNITS commands.
The command se5uence must #e terminated #y two end mar6ers. The
first ends the DATA 6eyword and the second ends the PETROFRACS
command.
Example
The following e1ample defines a petroleum fraction called C.%L'S as
7ultiflash component num#er 3.
PETROFRACS 8 C7PLUS
)$t$ m' 85H - .::/ t#o*l N4:;;
*V" analsis
!1perimental %:T analysis data can #e directly used to specify an
input stream for 7ultiflash using the P;TANAL4SIS command. The
%:T analysis typically consists of compositions for identifia#le
discrete components and for single car#on num#er fractions +SC4- or
petroleum cuts. The compositions may #e for a complete reservoir
fluid or may #e separated into gas compositions and li5uid
compositions. In the latter case it is necessary to supply a separator
gasDoil ratio +@8B- so that the streams may #e recom#ined.
2/
The availa#le %:T characterisation method in 7ultiflash is called
I%fo$%$l5. <ny the information in a 7FL file created #y the original
method will #e loaded properly& you should reDcharacterise the fluid
with the revised method.
The command format for the fluid with nD%araffin distri#ution is in
the following order.
P;TANAL4SIS
I%fo$%$l5
m' t,p!1*) +1/
- t,p!1*) +1/
compo%!%t %$m!1+1/ %$m!1+15 %$m!1+18...
CN> C7> ... P Pl"fr$ct*o%;
tot$mo"%t +1/ +15 +18 ...;
c"tl#o"%) +1/ +15 +18 ...;
c"tl#"%*t c"t1"%*t
c"tm' +1/ +15 +18 ...;
c"t- +1/ +15 +18 ...;
D:N
to$mo"%t=%fr$ct*o% +1/ +15 +18 ...;
-$$mo"%t +1/ +15 +18 ...;
"%*t $mo"%t"%*t Bfl"*)=l*2"*)C
%p"%*t $mo"%t"%*t B%9p$r$ff*%C
-$"%*t $mo"%t"%*t
%pl" %
%p%pl" %
t$rtpl*t % or %$m! B!.-. CN C
%pt$rtpl*t % or %$m! B!.-. NN C
pl"l#o"%) +1/ +15 +18 ...;
%ppl"l#o"%) +1/ +15 +18 ...;
$r$ 'p$t 'p$ro 'pr! 'p$p
!t*m$t!$r$
-or?$l"! +1/
-or"%*t -or1"%*t
'$+ +1/
!t*m$t!'$+
'$t!rc"t +1/
*%cl")!'$t!r
tot$l +1/;
I%fo$%$l5 is the 6eyword for specifying the revised %:T
characterisation method. This 6eyword is optional.
m' D allowed values of t,p!1*) are) fl"*)> to or fr$ct*o%. This
should #e followed #y the appropriate value +1/ of the molecular
weight in g?mol.
20
"peAI6 Value of M; - 1A1 .
fl"*) the value for the whole fluid
to the value of total stoc6 tan6 oil
fr$ct*o% the value for the heaviest cut
The m' 6eyword is optional. If not entered the value is estimated from
the specific gravity or from the hydrocar#on distri#ution.
- D allowed values of t,p!1*) are) fl"*) & to or fr$ct*o%. This
should #e followed #y the appropriate value +1/ of the specific
gravity +S@-.
"peAI6 Value of S? - 1A1 .
fl"*) the value for the whole fluid
to the value of total stoc6 tan6 oil
fr$ct*o% the value for the heaviest cut
The - 6eyword is optional. If not entered the value is estimated from
the molecular weight or from the hydrocar#on distri#ution.
compo%!%t D followed #y the discrete component names %$m!1+1/>
%$m!1+15> %$m!1+18> !tc> and the range of the petrofractions
ending with a F terminator. The range of the petrofractions must #e
specified to #e the starting single car#on num#er of the
petrofractions +e.g. C= -& followed #y I and then the plusfraction + the
last petrofraction -. The discrete components which can #e handled #y
%:T analysis are listed #elow. If you have some components which are
not listed here& you can always add them to your final component list
from a data#an6 after %:T analysis is done. %lease note that the
6eyword compo%!%t must #e used #efore any of the amounts
6eywords given #elow.
/ N*tro-!% // %9p!%t$%!
5 H,)ro-!% "lp&*)! /5 M!t&,lc,clop!%t$%!
8 c$r#o% )*o+*)! /8 .!%Q!%!
4 M!t&$%! /4 C,clo&!+$%!
5 Et&$%! /5 M!t&,lc,clo&!+$%!
N Prop$%! /N Tol"!%!
7 Io#"t$%! /7 Et&,l#!%Q!%!
: %9#"t$%! /: m9+,l!%!
H Iop!%t$%! /H o9+,l!%!
/6 N!op!%t$%! 56 p9+,l!%!
Amo"%t=tot$mo"%t D followed #y the amounts +1/> +15> +18
etc. of the discrete components and the amounts of all the cuts in the
total fluid or the separator li5uid stream& ending with the amount of
the plusfraction and a F terminator.
c"tl#o"%) Q followed #y the amounts +1/> +15> +18 etc. of the
userDdefined lower car#onDnum#er #oundaries for the petroleum cuts.
This 6eyword is only availa#le with Infochem revised characterisation
method. This 6eyword is optional.
c"tl#"%*t Q units used to define the car#onDnum#er #oundaries after
6eyword c"tl#o"%). The #oundaries can #e defined as a true #oiling
point e5uivalent to the car#on num#er& hence the permitted units are
either 6eyword c%"m#!r or a temperature unit. This 6eyword is only
availa#le with Infochem revised characterisation method. This
6eyword is only re5uired if 6eyword c"tl#o"%) is used.
c"tm' Q followed #y the amounts +1/> +15> +18 etc. of the userD
defined molecular weights for the petroleum cuts. This 6eyword is
22
only availa#le with Infochem revised characterisation method. This
6eyword is optional.
c"t- Q followed #y the amounts +1/> +15> +18 etc. of the userD
defined specific gravities for the petroleum cuts. This 6eyword is only
availa#le with Infochem revised characterisation method. This
D:N Q indicates that the characterisation has #een measured #y the
<ST7 90= method. This 6eyword is optional.
to$mo"%t D followed #y the amounts +1/> +15> +18 etc. of the
mass or mole percent of all the nDparaffin in ST8 and a F terminator.
%lease note that all the amounts for discrete components have to go
to the total fluid?li5uid stream.
%fr$ct*o% D followed #y the fractions +1/> +15> +18 etc. of all
the nDparaffin in each cut and a F terminator. %lease note that all the
amounts for discrete components have to go to the total fluid?li5uid
stream.
8nly one of the 6eywords %$mo"%t $%) %fr$ct*o% is allowed to
#e used to specify the information of the nDparaffins.
-$$mo"%t D followed #y the amounts +1/> +15> +18 etc. of the
discrete components and the amounts of all the cuts in the gas
stream ending with a F terminator. The num#er of amount values
must not e1ceed the num#er of the disrcete and the li5uid cuts
specified. This 6eyword is optional.
If a discrete component is present without 6nowing its value& its value
should #e entered as a star R to denote undefined in these cases
$mo"%t> tot$mo"%t> %$mo"%t> %fr$ct*o% and -$$mo"%t.
nD%araffin distri#ution always starts from 4=. If some of the nD
%araffins are not 6nown& their values should #e entered as a star R to
denote undefined.
"%*t D specifies the type of input units for the li5uid discrete
components& petroleum cuts and total amounts. This 6eyword can
only #e used after the 6eywords $mo"%t=tot$mo"%t>
%$mo"%t=%fr$ct*o% and -$$mo"%t. <llowed values for
$mo"%t"%*t are) mol or mole +default-& 6mol& 6g& g& l#mol& l#. This
%p"%*t D specifies the amount units in which the $mo"%t values are
given #y %$mo"%t or %fr$ct*o%. <llowed values for $mo"%t"%*t
are) mole or g. If this 6eyword is missing& it ta6es the default value
from "%*t. This 6eyword is optional.
-$"%*t D specifies the amount units in which the $mo"%t values
are given #y -$$mo"%t. <llowed values for $mo"%t"%*t are) mol or
mole +default-& 6mol& 6g& g& l#mol& l#. This 6eyword is optional.
%pl" D the integer num#er of pseudocomponents that the
plusfraction will #e split into. The default value is $. The nplus value
generated #y the P;TANAL4SIS command will #e greater than the
input value if asphaltenes and resins are present and specified #y
S<B<. This 6eyword is optional.
%p%pl" D the integer num#er of normal paraffin pseudocomponents
that will #e created. This value is re5uired for characterising the
normal paraffin distri#ution which is associated with the coutinho
wa1 modelF the default value is $/ if the 6eyword is omitted.
t$rtpl*t D the cut se5uence num#er or name +e.g. C2, etc.- at
which the split is to start which can only #e in the range $ to +num#er
of cuts * $-F the default is the latter value if this 6eyword is omitted.
If the num#er of normal and nonDnormal cuts are different& then the
%!
smaller value will #e used to calculate the default value of startsplit.
This 6eyword is optional.
%pt$rtpl*t D the normal paraffin cut se5uence num#er or name
+e.g. 42, etc.- at which the normal paraffin split is to startF the default
is the value used for 4= if this 6eyword is omitted.
pl"l#o"%) Q followed #y the amounts +1/> +15> +18 etc. of the
userDdefined lower car#onDnum#er #oundaries for the
pseudocomponents. This 6eyword is optional.
%ppl"l#o"%) Q followed #y the amounts +1/> +15> +18 etc. of the
userDdefined lower car#onDnum#er #oundaries for the normal paraffin
$r$ D indicates the presence of a saturates?aromatics?resins?
asphaltenes +S<B<- analysis and must #e followed #y four values) the
wtN of saturates& the wtN of aromatics& the wtN of resins and the wtN
of asphaltenes. If the values are un6nown& the sym#ol R should #e
specified. This 6eyword is optional.
!t*m$t!$r$ Q indicates that the S<B< analysis will #e estimated #y
7ultiflash. This 6eyword is optional.
-or?$l"! D specifies the gasDoil ratio +1/ at standard conditions +$
#ar and $/OC- as a pure volume ratio. The value must #e in the units
set #y the -or"%*t 6eyword. The value is used to recom#ine the gas
stream amounts with the li5uid amounts in the correct proportion to
o#tain the composition of the recom#ined fluid. This 6eyword is
optional.
-or"%*t D specifies the units in which the -or?$l"! is given..
<llowed values for -or1"%*t are) m8=m8 +default-& or cf=t# .
The unit conversion factor from scf?st# to m3?m3 is ,.$0,$$./. This
W$+ Q specifies the wa1 content +'8%- value which is used #y
7ultiflash to estimate the normal paraffin distri#ution in association
with the Coutinho wa1 model. This 6eyword is optional.
estimatewa1 Q indicates that the wa1 content will #e estimated #y
'$t!rc"t D specifies the water cut +1/ as the volume fraction of the
total li5uid. It is used to calculate how much water to add to the
hydrocar#on fluid. This 6eyword is optional.
*%cl")!'$t!r Q indicates that water is to #e included as one of the
components present in the fluid mi1ture. This 6eyword is optional. If
the watercut 6eyword is used& water must #e present whether or not
includewater is used.
tot$l D specifies the total amount +1/ of hydrocar#on fluid the user
wants to have present in current input units. This 6eyword is
optional.
4ote that the minimal specification re5uires only the 6eyword
compo%!%t $%) $mo"%t and one or more values. The 6eywords
"%*t> -$"%*t> t$rtpl*t> %pl"> -or"%*t> -or?$l"!>
'$t!rc"t and tot$l may only #e used after the 6eywords
$mo"%t> %$mo"%t and -$$mo"%t.
Example
The following e1ample creates a complete input stream from the
e1perimental %:T analysis data which includes well defined
components +4
2
& A
2
S& C8
2
& methane ethane& propane& iso#utane&
#utane& isopentane& neopentane& nDpentane-& a group of cuts and the
heavy end cut with a molecular weight of /$/ and a specific gravity of
%1
,.23/. The cuts and heavy end will #e split into $/
pseudocomponents starting at C=. < S<B< analysis is provided so
resin and asphaltene components will also #e generated.
%:Tanalysis infoanal2
mw fraction /$/.,
sg fraction ,.23/
components 4
2
A
2
S C8
2
methane ethane propane
iso#utane #utane isopentane neopentane nDpentane C= I
C3,F
amounts ,.,2 ,.,3 ,./ 0.3. 3.2. 3..3 ,.=0 2./ $.$$ R $.0,
3., 3.4/ 4.,2 4.$2 4.32 3.03 3.4/ 3.3. 3.$0 2.2/ 2.=/ 2..2
2.44 2.,2 2.22 2.,4 $.0/ $.=2 $./= $.4= $.43 $.32 $.22 $.24
$/.=,F
units g
nplus $/
startsplit C=
sara =4 23 $2.2 ,.0F
8lac5 oil analsis
!1perimental #lac6 oil analysis data can #e directly used to specify an
input stream for 7ultiflash using the .LAC3OIL command. The
minimum input for the ;lac6oil analysis consists of Specific gravity of
stoc6 tan6 oil and residual @8B + Bs -. The oil properties such as @as
@ravity& 3atson characterisation ( factor and the @as analysis are
optional in the input #ut they are 5uite useful information to ma6e
the calculated #u##lepoint or dewpoint more accurate.
The command format is in the following order.
.LAC3OIL
-$$%$l,* +1/> +15> +18> +14> +15> +1N> +17>
+1: ;
-or?$l"! +1/
-or"%*t -or1"%*t
-$-r$?*t, +1/
- +1/
%pl" %
%p%pl" %
t$rtpl*t % or %$m! B!.-. CN C
%pt$rtpl*t % or %$m! B!.-. NN C
pl"l#o"%) +1/ +15 +18 ...;
%ppl"l#o"%) +1/ +15 +18 ...;
$r$ 'p$t 'p$ro 'pr! 'p$p
!t*m$t!$r$
'$+ +1/
!t*m$t!'$+
'$t!rc"t +1/
tot$l +1/;
-$$%$l,* R is followed #y eight values for the fi1ed eight
discrete components. The eight discrete components are 4itrogen&
A2S& C82& methane& ethane& propane& ID#utane& nD#utane. The
%2
information a#out the gas analysis is optional #ut it is useful to ma6e
the calculated #u##lepoint or dewpoint more accurate.
-or?$l"! D specifies the gasDoil ratio +1/ at standard conditions +$
#ar and $/OC- as a pure volume ratio. The value must #e in the units
set #y the -or"%*t 6eyword. This 6eyword is re5uired in the input
in order to ma6e the #lac6oil analysis method wor6 correctly.
-or"%*t D specifies the units in which the -or?$l"! is given..
<llowed values for -or1"%*t are) m8=m8 +default-& or cf=t# .
The unit conversion factor from scf?st# to m3?m3 is ,.$0,$$./. This
6eyword is re5uired in the #lac6oil input.
- Q specifies the specific gravity of the stoc6 tan6 oil at standard
condition. This 6eyword is re5uired in the input of the #lac6oil
analysis.
%pl" D the integer num#er of pseudocomponents that the
plusfraction will #e split into. The default value is $. The nplus value
generated #y the .LAC3OIL command will #e greater than the input
value if asphaltenes and resins are present and specified #y S<B<.
%p%pl" D the integer num#er of normal paraffin pseudocomponents
that will #e created. This value is re5uired for characterising the
normal paraffin distri#ution which is associated with the coutinho
wa1 modelF the default value is $/ if the 6eyword is omitted. This
6eyword only wor6s with the ;lac6oil analysis method or the
Infochem resvied characterisation method B I%fo$%$l5 -.
t$rtpl*t D the cut se5uence num#er or name +e.g. C2, etc.- at
which the split is to start which can only #e in the range $ to +num#er
of cuts * $-F the default is the latter value if this 6eyword is omitted.
If the num#er of normal and nonDnormal cuts are different& then the
smaller value will #e used to calculate the default value of startsplit.
%pt$rtpl*t D the normal paraffin cut se5uence num#er or name
+e.g. 42, etc.- at which the normal paraffin split is to startF the default
is the value used for 4= if this 6eyword is omitted.
pl"l#o"%) Q followed #y the amounts +1/> +15> +18 etc. of the
userDdefined lower car#onDnum#er #oundaries for the
%ppl"l#o"%) Q followed #y the amounts +1/> +15> +18 etc. of the
userDdefined lower car#onDnum#er #oundaries for the normal paraffin
$r$ D indicates the presence of a saturates?aromatics?resins?
asphaltenes +S<B<- analysis and must #e followed #y four values) the
wtN of saturates& the wtN of aromatics& the wtN of resins and the wtN
of asphaltenes. This 6eyword is optional.
!stimateS<B< Q indicates that the S<B< will #e estimated #y
W$+ Q specifies the wa1 content +'8%- value which is used #y
7ultiflash to estimate the normal paraffin distri#ution in association
with the coutinho wa1 model. This 6eyword is optional.
!stimatewa1 Q indicates that the wa1 content will #e estimated #y
'$t!rc"t D specifies the water cut +1/ as the volume fraction of the
total li5uid. It is used to calculate how much water to add to the
hydrocar#on fluid. This 6eyword is optional.
%%
tot$l D specifies the total amount +1/ of hydrocar#on fluid the user
wants to have present in current input units. This 6eyword is
optional.
6elumpin$
Starting with 7ultiflash 4.,& a delumping procedure was
introduced.
Aaving any fluid loaded& the following command can #e issued)
D!l"mp ;
It is only possi#le to delump fluids that include petroleum
fraction in its composition. This will delump the fluid& if
possi#le& into single car#on petroleum fractions. The old
petroleum fraction definitions will #e erased& including any
matching that was performed. If the fluid does not have any
6ind of petroleum fractions& nothing will happen.
*etroleum fluid )lendin$
The #lending procedure allows a num#er of fluids to #e com#ined to
produce a new set of discrete components and pseudocomponents
which represent the properties of the #lend. !ach fluid must have
previously #een defined using 7ultiflash& and the description saved in
pro#lem +.mfl- files. The command format is)
.LEND Lpro#l!m1f*l!/K $mo"%t/ $mo"%t1"%*t
Lpro#l!m1f*l!5K $mo"%t5 $mo"%t1"%*t J r!t$*% ;
If the units for the amounts are in unit of volume& the conditions for
the volume #lending may #e specified with the 6eywords for
temperature& pressure and?or the density for each fluid. If no
temperature and pressure or the density are specified for the volume
#lending& the default condition + the standard condition) =,degC&
$atm- is used. The command format with information of the
temperature and pressure or the density for volume #lending is)
.LEND Lpro#l!m1f*l!/K $mo"%t/ $mo"%t1"%*t
t!mp!r$t"r! ?$l"!1t!mp!r$t"r!P"%*t1t!mp!r$t"r!
pr!"r! ?$l"!1pr!"r!P"%*t1pr!"r! )!%*t,
?$l"!1)!%*t,P"%*t1)!%*t, Lpro#l!m1f*l!5K $mo"%t5
$mo"%t1"%*t J r!t$*% ;
$mo"%t1"%*t can #e any mass& molar or volume recognised #y
7ultiflash. Lpro#l!m1f*l!/K is the pro#lem file defining the first
petroleum fluid and $mo"%t/ is the amount of that fluid in the units
specified #y the $mo"%t1"%*t 6eyword to #e added to the #lend.
The pro#lem files and amounts are then repeated for each fluid to #e
#lendedF the command is terminated #y the optional 6eyword r!t$*%
followed #y the end mar6er +;-. If the $mo"%t1"%*t 6eyword is
omitted& the amounts units are set to the default value of moles.
t!mp!r$t"r!> pr!"r! and )!%*t, are used for specifying the
volume #lending conditions. The ?$l"!1t!mp!rature is the value for
%4
the temperature with unit of "%*t1t!mp!r$t"r!& and
?$l"!1pr!"r! is for the value of pressure with unit of
"%*t1pr!"r!& and ?$l"!1)!%*t, is for the value of density with
unit of "%*t1)!%*t,. The 6eywords for the temperature& pressure
and density can #e repeated for each fluid if necessary.
!ach pro#lem file must contain a fluid definition that includes the
discrete components and pseudocomponents for the fluid plus the
composition of the fluid. 8n #lending& the total amount of fluid
defined in each pro#lem file is ignored as the amount of each fluid
added to the #lend is defined #y the values $mo"%t/& $mo"%t5& etc.
entered as part of the .LEND command. It is possi#le to use the
currently defined fluid in 7ultiflash as one of the fluids to #e
#lended. The currently defined fluid is specified #y setting the name
of the pro#lem file to an asteris6. For e1ample)
.LEND 0 6.N mol! fl"*)/.mfl 6.4 mol!;
instructs the program to ta6e ,.4 moles of the fluid descri#ed in
pro#lem file fl"*)/.mfl and #lend it with ,.= moles of the currently
defined fluid.
8n completion& the .LEND command deletes the currently defined
fluid and replaces it with a description of the #lend. If the r!t$*%
6eyword is used& the models& phase descriptors and all descriptions of
utilities such as %:T analysis& matching& the inhi#itor calculator& etc.
are set to the those defined in the last pro#lem file specified +or
current pro#lem if an asteris6 was used-. If the r!t$*% 6eyword is
omitted& nothing is defined apart from the components and amounts
in the #lend.
Inhi)itor calculator
The inhi#itor calculator can #e used to add the content of inhi#itors
+methanol& 7!@& 9!@& T!@ and ethanol-& the salt content of a5ueous
streams to mi1tures. This converts the measured compositions of the
inhi#itors& salts in a5ueous streams into an e5uivalent amount to that
of water in the mi1ture for hydrate inhi#ition calculations. The
command for adding Inhi#itors is I4AI;IT8B. To use the I4AI;IT8B&
it is necessary to define water and inhi#itors into the stream from any
data#an6 first and then input amount of water in correct unit. The
command format for adding the four inhi#itors at the same time is)
INHI.ITOR .ASIS *%&*#*tor1%$m!/ *%&*#*tor1?$l"!/
*%&*#*tor1%$m!5 *%&*#*tor1?$l"!5 ...F
.ASIS is used to specify fractions of inhi#itors in either mass or mole
or volume fraction. The 6eywords are MASSFRACTION>
MOLEFRACTION and ;OLUMEFRACTION respectively.
The *%&*#*tor1%$m! means the name of the inhi#itors which
includes methanol& 7!@& 9!@& T!@ and ethanol and
*%&*#*tor1?$l"! is the fractions of the inhi#itors. 4ote that the
total of the fractions entered must #e less than $.
Salinit
The ion ratio and salt content of a5ueous streams can #e entered
using the SALINIT4 command which converts the measured salt
compositions into an e5uivalent amount of a salt pseudocomponent
or ion ratios for free"ing point depression or hydrate inhi#ition
calculations. The properties have #een tuned for use only with the
B(S< model with Infochem mi1ing rules +see p. 42-.
%5
To use the SALINIT4 command it is first necessary to include water
and saltcomponent +the salt pseudocomponent- or ions such as 4a*
and ClD in the components list. 3ater may #e loaded from any
data#an6. Saltcomponent or 4a*& (*& Ca**& ClD and ;rD ions are
defined in the I4F89<T< data#an6. There are three ways of entering
the salt compositions or ions which are descri#ed in the following
sections. In each case the amount of saltcomponent and ions
e5uivalent to the salt composition is estimated and added to the
input amounts.
Ion analysis
The concentrations of the following ions may #e entered) 4a
*
& Ca
**
&
7g
**
& (
*
& Sr
**
& ;a
**
& Fe
**
& Cl
Q
& S84
QQ
& AC83
Q
and ;r
Q
.
The command format is)
SALINIT4 mo)!l1!l!ctor *o%co%c!%tr$t*o%
N$ x C$ x M- x 3 x Sr x .$ x F! x
Cl x SO4 x HCO8 x .r x
p-r$?*t, sg;
The 6eyword mo)!l1!l!ctor is given as follows. If the
mo)!l1!l!ctor is omitted& the default setting is $ltcomp.
modelAselector Comments
$ltcomp For calculating the amount of a salt
pseudocomponent proportional to the
amount of water in the component list.
!l!ctrol,t! For calculating ion ratios of salt
compositions proportional to the amount of
water in the component list.
!l!cN$Cl For calculating ion ratios of salt
compositions proportional to the amount of
water in the component list. For this option
to components introduced are restricted to
4a
*
and Cl
D
ions which are added on a
sodium chloride e5uivalent #asis.
The *o%co%c!%tr$t*o% 6eyword sets the input mode for entering
the salinity as ion concentrations in mg?l. There is no choice of units.
The concentration of each ion follows the ion name +in any order-.
8nly those ions with nonD"ero concentrations need to #e listed.
If the specific gravity of the solution is 6nown it may #e entered using
the p-r$?*t, 6eyword. If omitted it is estimated.
Total dissolved solids
SALINIT4 mo)!l1!l!ctor t) x p-r$?*t, sg;
The mo)!l1!l!ctor selections are the same as descri#ed a#ove. If
mo)!l1!l!ctor is omitted& the default setting is $ltcomp.
The t) 6eyword sets the input mode for entering the salinity as total
dissolved solids in mg?l. There is no choice of units.
If the specific gravity of the solution is 6nown it may #e entered using
the p-r$?*t, 6eyword. If omitted it is estimated.
%@
Salt analysis
The concentrations of the following salts may #e entered) 4aCl& 4a;r&
CaCl
2
& 7gCl
2
& (Cl & SrCl
2
& ;aCl
2
& FeCl
2
& 4a
2
S8
4
and 4aAC8
3

SALINIT4 mo)!l1!l!ctor $%$l,*1t,p!
N$Cl x N$.r x C$Cl5 x M-Cl5 x 3Cl x SrCl5 x
.$Cl5 x F!Cl5 x N$5SO4 x N$HCO8 x ;
The mo)!l1!l!ctor selections are the same as descri#ed a#ove. If
the mo)!l1!l!ctor is omitted& the default setting is $ltcomp.
The $%$l,*1t,p! 6eyword sets the input mode for entering the
salinity as a salt analysis. There are three options for the units)
$ltm$fr$ct*o%& $ltmol$l*t*! and $ltmol!fr$ct*o%.
The concentration of each salt in the units selected follows the salt
name +in any order-. 8nly those salts with nonD"ero concentrations
need to #e listed.
Example
The following e1ample enters the amount of saltcomponent
e5uivalent to a $3N #y mass solution of 4aCl.
PUREDATA I%fo)$t$;
"%*t $mo"%t -;
COMPONENTS '$t!r $ltcompo%!%t;
Amo"%t '$t!r /.6;
SALINIT4 $ltcomp $ltm$fr$ct*o% N$Cl 6./8;
%/
Model definition
Introduction
The thermodynamic and transport property models in 7ultiflash and
their applica#ility are descri#ed in more detail in the Models and
Ph!sical Pro"erties Manual
The MODEL command is used to define a model. It has the format)
MODEL mo)!l1*) MF1mo)!l1%$m! SMo)!l1opt*o%T... ;
mo)!l1*) is a user%defined name that will #e used to refer to the
particular com#ination of the property model and options specified.
MF1mo)!l1%$m! is the 7ultiflash name for the #asic model. The list
of recognised models is given #elow together with the applica#le
options.
Mo)!l1opt*o% are additional 6eywords that descri#e model
variants& references to other& previouslyDdefined& models or references
to the source of #inary interaction parameters.
For e1ample&
MODEL MPR PR PR.IP;
defines the identifier 7%B for the %engDBo#inson e5uation of state
with the set of ;I%s called %B;I%.
'Buation of state models
Ideal +as equation of state
p
NRT
V
part of model
definition
Multiflash
5e<ord Comments
7odel name IDG
The following e1ample defines the ideal gas eos model and gives it
the identifier MIDG
mo)!l MIDG *)-;
%0
,enedict&-ebb&$ubin&.Starlin+/ equation of state
,
_
,
_
,
_
+ + + + +
2
2
2
2
2 $ 2
e'p 1
(
V V V
C
V
D
V
C
V
B
N
V
RT
p

Beference) Starling& (luid thermod!namic "ro"erties for light
"etroleum s!stems& @ulf %u#lishing Co.& Aouston +$2.3-.
part of model
definition
Multiflash
5e<ord Comments
7odel name .WRS
model variant 0 or .WRS
SH
.WR
;3BS e5uation
;3BS e5uation using parameters from
Starling and Aan correlations
;3B e5uation with parameters from
8rye and others
;I% data .*p1!t optional& .*p1!t is the name for a
set of ;I%s defined #y the ;I%S!T
command.
The following e1ample defines the ;3BS eos model and ;I% ta6en
from a +previously defined- #ipset called ;3BS;I% and gives it the
identifier M.WRS
mo)!l M.WRS #'r #'r .WRS.IP;
Hayden&!0(onnell +as phase model
This treats each component in the gas phase as forming a monomerD
dimer e5uili#rium. For most components that deviate only slightly
from ideal #ehaviour& the model reduces to the volumeDe1plicit virial
e5uation)
B
p
RT
V +
The second virial coefficient B is estimated for each component from
a generalised correlation +H.@. Aayden and H.%. 8CConnell& Ind. !ng.
Chem.. %roc. 9es. 9ev& $4& 2,2 +$2./--. This correlation accounts for
nonDpolar& polar and chemical association effects. The pure
component properties re5uired #y the model are) critical temperature&
critical pressure& radius of gyration& dipole moment and an empirical
association parameter. :alues for these 5uantities are stored in the
Infodata data#an6.
< second virial coefficient model such as A8C can account for gas
phase nonDidealities up to pressures of a#out / to $, #ar. The
implementation of the A8C model in 7ultiflash allows the vapour
phase association of su#stances such as acetic acid to #e represented.
part of model
definition
Multiflash
5e<ord Comments
7odel name HOCONNELL
The following e1ample defines the AaydenD8CConnell model and gives
it the identifier MHOC
mo)!l MHOC &oco%%!ll;
%2
1ee&*esler&.#l2c'er/ equation of state
This is a 3Dparameter corresponding states model #ased on
interpolating the reduced properties of a mi1ture #etween those of
two reference su#stances& one spherical and the other nonDspherical.
The e5uation for each property is of the form
[ ]
z z z z
m!
+
( )
( )
( ) ( ) 0
1
1 0
The method is rather slow and comple1 compared with cu#ic eos #ut
can yield accurate predictions of density and enthalpy for nonDpolar
mi1tures. It is not particularly recommended for phase e5uili#rium
calculations. The model definition is
part of model
definition
Multiflash
5e<ord Comments
7odel name L3P
model variant 0 or L3P
L3
LeeD(esler %lSc6er mi1ing rule
original LeeD(esler mi1ing rule
command. The model can accept one
temperatureDindependent ;I% +per pair
of components-
The following e1ample defines the L(% eos model and gives it the
identifier ML3P
mo)!l ML3P l<p;
#en+&$obinson equation of state
p
NRT
V b
a
V bV b
+
+
2 2
2
part of model
definition
Multiflash
5e<ord Comments
7odel name PR
command
The following e1ample defines the %B eos model and gives it the
identifier MPR
mo)!l MPR pr;
Advanced #en+&$obinson equation of state
The enhanced Infochem version of the %B eos offers a wide range of
options for various aspects of the eos
4!
part of model
definition
Multiflash
5e<ord Comments
7odel name PRA
method for
calculating eos a
parameter
0 or PR
PR7:
PSAT
PSAT7:
MC
standard %B method
%B.0 method
fit parameter to reproduce saturated
vapour pressure using correlation
from data#an6
as a#ove #ut for %B.0 method
use 7athiasDCopeman parameters
method for
calculating eos $
parameter
0 or PR
LDEN
standard %B method
li5uid density at 220( or TrT,..
+%enelou1 method-
7i1ing rules 0 or ;DW
GEO
H;
NRTL
standard :93 $Dfluid
e1cess @i##s energy 7A:2
AuronD:idal
Infochem modified 4BTL
!1cess @i##s energy
model
G!+1mo)!l re5uired for @!U and A:& must #e the
model identifier for an activity
coefficient model
;I% data .*p1!t optional& .*p1!t is the identifier for
a set of ;I%s defined #y the ;I%S!T
command
The following e1ample first defines a li5uid phase activity model
MNRTL;LE using the 4BTL e5uation. It then defines an e5uation of
state model MPRA #ased on PR with the a parameter fitted to the
vapour pressure and the $ parameter fitted to the li5uid density. The
mi1ing rule is 7A:2 which uses the e1cess @i##s energy model
defined for MNRTL;LE& ie 4BTL.
mo)!l MNRTL;LE %rtl ?l!;
mo)!l MPRA pr$ p$t l)!% -!+ MNRTL;LE;
The following e1ample defines the %B.0 eos model and gives it the
identifier MPR7:
mo)!l MPR7: pr$ pr7: l)!% ?)' PR7:.IP;
For the %B<.0 model&
mo)!l MPRA7: pr$ p$t7: l)!% ?)' PR7:.IP;
$edlich&*won+&.Soave/ equation of state
p
NRT
V b
a
V V b
+
+ ( )
part of model
definition
Multiflash
5e<ord Comments
7odel name R3S
method for
calculating eos a
parameter
0 or R3S
API
R3
Soave modification of B(
<%I modification of B(S
original B(
command
41
The following e1ample defines the B(S eos model with the <%I
modification and ;I% ta6en from a +previously defined- #ipset called
B(S;I% and gives it the identifier MR3S
mo)!l MR3S r< $p* R3S.IP;
Advanced $*S equation of state
The enhanced Infochem version of the B(S eos offers a wide range of
options for various aspects of the eos
part of model
definition
Multiflash
5e<ord Comments
7odel name R3SA
method for
calculating eos a
parameter
0 or R3S
API
R3
PSAT
MC
Soave modification of B(
<%I modification of B(S
original B( eos
fit parameters to reproduce saturated
from data#an6
use 7athiasDCopeman parameters
method for
calculating eos $
parameter
0 or R3S
LDEN
standard B(S method
+%enelou1 method-
7i1ing rules 0 or ;DW
GEO
H;
NRTL
standard :93 $Dfluid
e1cess @i##s energy 7A:2
AuronD:idal
Infochem modified 4BTL
!1cess @i##s energy
model
G!+1mo)!l re5uired for @!U and A:& must #e the
model identifier for an activity
coefficient model
;I% data .*p1!t optional& .*p1!t is the identifier for
a set of ;I%s defined #y the ;I%S!T
command
The following e1ample sets up the version of the B(S eos
recommended for modelling the fluid phases in hydrate calculations.
mo)!l MR3SANRTL r<$ p$t l)!% %rtl;
#S$* equation of state
This model consists of the B(S< e5uation of state with vapour
pressures fitted using 7athiasDCopeman parameters +if
availa#le-& the %enelou1 volume correction and the %SB( type mi1ing
rules. The e1cess @i##s energy is provided #y the %SB( variant of the
'nifac method. This is the same as the normal :L! 'nifac model
e1cept that the group ta#le has #een e1tended to include a large
num#er of common light gases.
The %SB( model is an e1tension of the 'nifac method. It is intended
to predict the phase #ehaviour of a wide range of polar mi1tures
using the solution of groups concept as em#odied in 'nifac. The main
#enefit of %SB( is that it is a#le to handle mi1tures containing gases
much #etter than 'nifac and unli6e a normal e5uation of state it can
handle polar li5uids. This is #ecause +a- it uses an e5uation of state
with an e1cess @i##s energy mi1ing rules there#y avoiding pro#lems
of how to handle supercritical components in an activity coefficient
e5uationF +#- the 'nifac group parameter ta#le has #een e1tended in
%SB( to include 32 common light gases.
42
part of model
definition
Multiflash
5e<ord Comments
7odel name UNIFAC
7odel variant PSR3 the %SB( type mi1ing rules& e1tension
of the 'nifac method
7odel name R3SA
method for
calculating eos a
parameter
PSAT fit parameters to reproduce saturated
from data#an6
method for
calculating eos $
parameter
LDEN fit parameter to reproduce saturated
+%enelou1 method-
7i1ing rules PSR3 the %SB( type mi1ing rules& e1tension
of the 'nifac method.
!1cess @i##s energy
model
G!+1mo)!l must #e the %SB( 'nifac model
identifier
The following e1ample sets up the version of the %SB( eos
recommended for modelling the fluid phases.
mo)!l MUNIFACPSR3 UNIFAC PSR3;
mo)!l MR3SAPSR3 R3SA MC LDEN PSR3 MUNIFACPSR3;
Consult the section on 'nifac for details of how to use more options
for the definition of the 'nifac groups and su#groups used& etc.
#S$*&N$T1 equation of state
This model is the same as the %SB( model e1cept that the
e1cess @i##s energy is provided #y the 4BTL e5uation. So
unli6e the %SB( e5uation& the %SB(D4BTL variant re5uires that
;I%s are provided for the 4BTL e5uation in order to give
accurate results. The model definition is set out in the
following ta#le.
part of model
definition
Multiflash
5e<ord Comments
7odel name NRTL
type of phase
#ehaviour
0 or ;LE :apourDli5uid e5uili#rium default for
alpha parameter
vapour phase model 0 Leave undefined as not re5uired for
role as @e1 model
;I% data .*p1!t 8ptional& .*p1!t is the name for a
commandF re5uires 3 ;I%s
A
"
&
A
"

and
"
7odel name R3SA
method for
calculating eos a
parameter
from data#an6
method for
calculating eos $
parameter
LDEN fit parameter to reproduce saturated
+%enelou1 method-
4%
7i1ing rules PSR3 the %SB( type mi1ing rules& e1tension
of the 'nifac method.
!1cess @i##s energy
model
G!+1mo)!l must #e the %SB( 'nifac model
identifier
!1ample
mo)!l MNRTL %rtl ?l! 0 NRTL.IP8;
mo)!l MR3SAPSR3 R3SA MC LDEN PSR3 MNRTL;
(ubic plus association .(#A/ model
The C%< model consists of the BedlichD(wongDSoave e5uation plus an
additional term #ased on 3ertheimCs theory that represents the effect
of chemical association.
The C%< model also uses the %enelou1 density correction to match
the li5uid density calculated from the e5uation of state to that stored
in the chosen physical property data system at a reduced temperature
of ,.. or at 220.$/(& whichever temperature is the lower.
The C%< model may #e used for hydrate calculations with methanol&
7!@ and salt inhi#ition& as these are the only cases for which
parameters are currently provided. This will #e e1tended in future
versions.
part of model
definition
Multiflash
5e<ord Comments
7odel name ASSOC
method for
calculating eos a
parameter
from data#an6.
;ipdata #*p!t ;I% values for association model Q
physical term.
;ipdata #*p!t ;I% values for association model Q
association term.
The following e1ample sets up the C%< association model. ;I% values
are ta6en from the #ipset <SS8C;I% and <SS8C;I%D2.
#*p!t ASSOC.IP /;
#*p!t ASSOC.IP95 /;
mo)!l MASSOC ASSOC PSAT ASSOC.IP ASSOC.IP95;
3ud'evitch 4offee model
The VH eos is #ased on the original version of Bedlic6D(wong +B(-
eos.
For the original version of B(& the KaW and K#W parameters are
e1pressed e1plicitly in terms of the critical temperature and pressure
For the VH eos& the ai and $i parameters are defined #y simultaneously
solving the e5uations of fugacity coefficients along the saturation line
and the B(S e5uation for #oth vapour and saturated li5uid phase&
where the re5uired saturation vapour pressure and saturated li5uid
density are o#tained from the correlation of the pure components.
44
part of model
definition
Multiflash
5e<ord Comments
7odel name ED
:ariant ED The ai and #i parameters are fitted to
match vapour and saturated li5uid
density
;ipdata #*p!t ;I% values for VH physical term.
#(&SAT model
The %CDS<FT e5uation is a development of the S<FT model that has
#een shown to give good results for a wide range of polar and nonD
polar su#stances including polymers. %olymers are one of the most
important areas of application of %CDS<FT. The model appears to #e
one of the most accurate and realistic e5uations of state currently
availa#le for modelling polymer systems.
%CDS<FT stands for the %ertur#ed Chain Statistical <ssociating Fluid
Theory and it incorporates current ideas of how to model accurately
the detailed thermodynamics of fluids within the framewor6 an
e5uation of state. The mathematical structure is very comple1 and
cannot #e conveniently descri#ed in a manual. 'sers are referred to
<ppendi1 < of the reference given in the Models and Ph!sical
Pro"erties Manual
It is a development of the S<FT model that has #een shown to give
good results for a wide range of polar and nonDpolar su#stances
including polymers. The model appears to #e one of the most
accurate and realistic e5uations of state currently availa#le for
modelling polymer systems.
Two version of %CDS<FT models are availa#le in the latest version of
7ultiflash.
part of model
definition
Multiflash
5e<ord Comments
7odel name SAFT
7odel variant PC The model variant identifier for the
original %CDS<FT model.
7odel variant ORIGINAL The second model variant for %CDS<FT
model
;ipdata #*p!t ;I% values for %CDS<FT model Q
attraction term
association term
The following e1ample sets up the original %CDS<FT model. ;I% values
are ta6en from the #ipsets S<FT;I% and S<FT;I%D2.
#*p!t SAFT.IP / co%t$%t !o %o%! ;
#*p!t SAFT.IP95 / co%t$%t $oc*$t*o% D=mol ;
mo)!l MPCSAFT SAFT PC ORIGINAL SAFT.IP SAFT.IP95;
The simplified version of %CDS<FT is a simplified version of %CDS<FT
#y the 9anish Technical 'niversity + which is located at Lyng#y in
9enmar6 -.
part of model
definition
Multiflash
5e<ord Comments
7odel name SAFT
7odel variant L4NG.4 The model variant identifier for the
simplified version of %CDS<FT model.
45
7odel variant ORIGINAL The second model variant for the
simplified version of %CDS<FT model
attraction term
association term
The following e1ample sets up the simplified version of %CDS<FT
model.
#*p!t SAFT.IP / co%t$%t !o %o%! ;
#*p!t SAFT.IP95 / co%t$%t $oc*$t*o% D=mol ;
mo)!l MPCSAFTL. SAFT L4NG.4 ORIGINAL SAFT.IP SAFT.IP9
5;
Multi&reference fluid correspondin+ states
.(SMA/ model
The CS7< model is #ased on a collection of very accurate e5uations
of state for a num#er of reference fluids. It will provide accurate
values of properties for any of the reference fluids +see #elow for a
list- and it uses a $Dfluid corresponding states approach to estimate
mi1ture properties. It is formulated so that mi1ture properties will
reduce to the +accurate- pure component values as the mi1ture
composition approaches each of the pure component limits. In
7ultiflash 4.,& the @!B@D2,,4 mi1ing rule is also availa#le.
The model definition can #e considered in two distinct parts) the
definition of pseudoDcritical properties for a mi1ture +mi1ing rules-&
and the prescription for com#ining the properties of the reference
su#stances to give the total mi1ture properties +com#ining rules-.
The current model implementation includes reference e5uations of
state for the following su#stances) ammonia& argon& nD#utane& isoD
#utane& $D#utene& cisD2D#utene& transD2D#utene& cyclohe1ane& C8& C82&
C8S& ethane& ethanol& ethylene& fluorine& helium& heptane& he1ane& isoD
he1ane& hydrogen& A2S& 6rypton& methane& neon& nitrogen& 4F3& octane&
o1ygen& nDpentane& isoDpentane& neoDpentane& propane& propylene& SF=&
S82& toluene& water +I<%S3 2/-& 1enon& B$$& B$$3& B$$4& B$$/& B$$=&
B$2& B$23& B$24& B$2/& B$3& B$34a& B$4& B$43a& B$/2a& B22& B22.fa&
B23& B24/fa& B32 and BC3$0. The e5uations of state are ta6en from
various sources and do not all have the same 5uality or range of
applica#ility. 8ther hydrocar#ons and petroleum fractions are
included using a generalised e5uation of state.
part of model
definition
Multiflash
5e<ord Comments
7odel name CSMA
7i1ing rules ;DW or GERG standard :93 $Dfluid or the @!B@D
2,,0 mi1ing rule.
;I% data #*p!t ;I% values for the mi1ing rules for the
critical temperature
critical molar volume. 9efault value is
set to $.
;I% data #*p!t 3ith the @!B@D2,,0 mi1ing rule& the
#inary weighting factor for the
departure function contri#ution in the
mi1ture is re5uired that is defined in
the I4F8;I%S data#an6.
4@
The following e1ample sets up the advanced version of CS7 model
with :93 mi1ing rule and the definition of the fluid phases.
mo)!l MCSMA CSMA ;DW CSMA.IP;
#*p!t CSMA.IP / co%t$%t !o %o%! ;
#*p!t CSMA.IP95 / co%t$%t !o? %o%! ;
#*p)$t$ INFO.IPS ;
mo)!l MCSMA CSMA ;DW CSMA.IP CSMA.IP95;
p) GAS -$ MCSMA;
p) LIGUID/ l*2"*) MCSMA;
3ith the @!B@D2,,4 mi1ing rule& the e1ample sets up the advanced
version of CS7 model and the definition of the fluid phases are)
#*p!t CSMA.IP / 2"$)r$t*c -!r-t %o%! ;
#*p!t CSMA.IP95 / 2"$)r$t*c -!r-? %o%! ;
#*p!t CSMA.IP98 / co%t$%t -!r-f %o%! ;
#*p)$t$ INFO.IPS ;
mo)!l MCSMA CSMA GERG CSMA.IP CSMA.IP95 CSMA.IP98;
p) GAS -$ MCSMA;
p) LIGUID/ l*2"*) MCSMA;
In 7ultiflash 4.$& the CS7< model also includes the @!B@D2,,0
natural gas model. This is an industryDstandard highDaccuracy model
for mi1tures of natural gas components) methane& nitrogen& C,2&
ethane& propane& nD#utane& isoD#utane& nDpentane& isoDpentane& he1ane&
heptane& octane& nonane& decane& argon& o1ygen& hydrogen& hydrogen
sulphide& C8& water& helium. The model includes appropriate ;I%s for
all components in the list.
The model is fully descri#ed in the pu#lications)
8. (un"& B. (limec6& 3. 3agner& 7. Haesch6e& The @!B@D2,,4
wideDrange e5uation of state for natural gases and other
mi1tures& @!B@ Technical 7onograph $/ +2,,.-
(un"& 8.& 3agner& 3. The @!B@D2,,0 wideDrange e5uation of
state for natural gases and other mi1tures) <n e1pansion of
@!B@D2,,4. To #e su#mitted to H. Chem. !ng. 9ata +2,$$-
The model is very accurate for pure su#stances that are
included in the a#ove list of reference su#stances. It is also
applica#le to nearDideal mi1tures such as air #ut for the #est
results it is necessary to fit values of the #inary interaction
parameters to match e1perimental data. For the natural gas
mi1tures or nonDideal mi1tures such as water * C8
2
& the @!B@D
2,,0 model should #e used.
part of model
definition
Multiflash
5e<ord Comments
7odel name GERG
7i1ing rules GERG @!B@D2,,4 model for natural gas
mi1tures.
critical temperature
critical molar volume. 9efault value is
$.
;I% data #*p!t The #inary weighting factor for the
departure function contri#ution in the
mi1ture.
4/
The following e1ample sets up the @!B@D2,,0 model with ;I%s and
the definition of the fluid phases.
#*p!t GERG.IP / 2"$)r$t*c -!r-t %o%! ;
#*p!t GERG.IP95 / 2"$)r$t*c -!r-? %o%! ;
#*p!t GERG.IP98 / co%t$%t -!r-f %o%! ;
#*p)$t$ INFO.IPS ;
mo)!l MGERG GERG GERG GERG.IP GERG.IP95 GERG.IP9
8;
p) GAS -$ MGERG;
p) LIGUID/ l*2"*) MGERG;
Steam Tables .IA#-S&56/
The international standard formulation for the properties of water is
made up from the following components. The thermodynamic
properties are o#tained from the I<%3S2/ formulation. The viscosity&
thermal conductivity and surface tension are #ased on the latest
I<%3S release. The references can #e found in the Models and Ph!sical
Pro"erties Manual.
part of model
definition
Multiflash
5e<ord Comments
7odel name IAPWSH5
The following e1ample sets up the model.
mo)!l MSTEAM IAPWSH5;
(!7 hi+h&accuracy model
This is a model for pure car#on dio1ide using the most accurate
correlations currently availa#le. The model is #ased on the high
accuracy e5uation of state pu#lished #y Span and 3agner +$22=-. The
viscosity is descri#ed #y the correlation of Fenghour et al +$220- and
the thermal conductivity uses the correlation of Scala#rin et al. +2,,=-.
The references can #e found in the Models and Ph!sical Pro"erties
Manual.
part of model
definition
Multiflash
5e<ord Comments
7odel name HACO5
The following e1ample sets up the model.
mo)!l MCO5 HACO5;
p) GAS -$ MCO5;
p) LIGUID/ l*2"*) MCO5;
:ctivit models
Ideal solution liquid activity method
#
RT
E
0
part of model
definition
Multiflash
5e<ord Comments
40
7odel name IDL
vapour phase
model
;1mo)!l 7odel name for an e5uation of state
model that is used to o#tain the
reference state vapour propertiesF not
needed if the model is only used as
the G!+1mo)!l in one of the advanced
e5uations of state
%oynting
correction
PO4NTING or
NOPO4NTING
8ptionally selects if %oynting
correction should #e added to activity
coefficients +default- or not.
The following e1ample first defines the ideal gas eos model and then
sets up the ideal li5uid model with the identifier MIDLMIDG
mo)!l MIDG *)-;
mo)!l MIDLMIDG *)l MIDG PO4NTING;
8r if the %oynting correction is not re5uired
mo)!l MIDG *)-;
mo)!l MIDLMIDG *)l MIDG NOPO4NTING;
The default is to include the %oynting correction in which case the
6eyword can #e omitted& which is done in su#se5uent e1amples of
activity models.
mo)!l MIDG *)-;
mo)!l MIDLMIDG *)l MIDG;
$e+ular solution method
Begular solution theory can #e used for vapourDli5uid calculations for
mi1tures of nonDpolar or slightly polar components. The theory is
applica#le to systems which e1hi#it negligi#le entropies and volumes
of mi1ing. Aowever& it has #een largely superseded #y e5uations of
state
FloryDAuggins theory is a#le to descri#e systems which include some
long chain molecules. It has conse5uently applied to model polymer
systems #ut it has #een largely superseded #y other models such as
%CDS<FT.
part of model
definition
Multiflash
5e<ord Comments
7odel name REGULAR
7odel :ariant REGULAR or
FH
The model variants identifier for
either the regular solution or Flory
Auggins regular solution model.
vapour phase
model
e5uations of state
%oynting
correction
PO4NTING or
NOPO4NTING
sets up the ideal li5uid model with the identifier MREGULARMIDG
#*p!t REGULAR.IP / co%t$%t !o %o%! ;
mo)!l MIDG *)-;
mo)!l MREGULARMIDG REGULAR REGULAR MIDG REGULAR.IP;
42
For the Flory Auggins regular solution model)
#*p!t REGULAR.IP / co%t$%t $ct*?*t, D=mol ;
mo)!l MIDG IDG; mo)!l
MFHMIDG REGULAR FH MIDG REGULAR.IP;
N$T1 liquid activity method
This model may #e used for vapourDli5uid& li5uidDli5uid and vapourD
li5uidDli5uid e5uili#rium calculations. The :L! option should #e used
for :LL!. It is necessary to supply ;I% values to o#tain accurate
predictions.
#
RT
$
A # $
$ #
#
A
RT
E
" " "

"
" "
"
"
" "
_
,
_
,
ln
e'p

part of model
definition
Multiflash
5e<ord comments
7odel name NRTL
type of phase
#ehaviour
0 or ;LE
LLE
:apourDli5uid e5uili#rium or li5uidD
li5uid e5uili#riumF sets default for
alpha parameter
vapour phase
model
e5uations of state
A
"
&
A
"

and
"
%oynting
correction
PO4NTING or
NOPO4NTING
The following e1ample first defines the r6 eos model and then sets up
the vle version of the 4BTL activity model with the identifier
MNRTLMR3S. ;I% values can #e ta6en from the data#an6 I4F8;I%S.;I4
for :L! or I4F8LL;I%S.;I4 for LL! #y defining the ;I% data#an6 as
#*p)$t$ *%fo#*p;
Then set the ;I% values using the command& for e1ample
#*p!t NRTL.IP8 8 co%t$%t $ct*?*t, D=mol;
followed #y model definitions.
mo)!l MR3S r< r<;
mo)!l MNRTLMR3S %rtl ?l! MR3S NRTL.IP8;
%NI8%A( liquid activity method
This model may #e used for vapourDli5uid& li5uidDli5uid and vapourD
li5uidDli5uid e5uili#rium calculations. It is necessary to supply ;I%
values to o#tain accurate predictions.
5!
#
RT
$
r $
r $
z
% $
% r $
r % $
% $
% # % $
% $
#
A
RT
z
E
"
"
" "
"

" "
"
" "
"

" " "
"
" "
"
"
"
_
,
_
,
_
,
_
,

ln ln ln
e'p %
2
10
part of model
definition
Multiflash
5e<ord Comments
7odel name UNIGUAC
vapour phase
model
e5uations of state
A
"
and
A
"
%oynting
correction
PO4NTING or
NOPO4NTING
The following e1ample first defines the B(S eos model and then sets
up the '4I'<C activity model with the identifier MUNIGUACMR3S. ;I%
values can #e ta6en from the data#an6 I4F8;I%S.;I4 for :L! or
I4F8LL;I%S.;I4 for LL! #y defining the ;I% data#an6 as
#*p)$t$ *%fo#*p;
#*p!t UNIGUAC.IP5 5 co%t$%t $ct*?*t, D=mol;
mo)!l MR3S r< r<;
mo)!l MUNIGUACMR3S "%*2"$c MR3S UNIGUAC.IP5;
-ilson activity method9 A variant
This model may #e used for vapourDli5uid e5uili#rium calculations
#ut it is not capa#le of predicting li5uidDli5uid immisci#ility. It is
necessary to supply ;I% values to o#tain accurate predictions.
#
RT
$
A $
$
E
" "
"
"
"
_
,
ln
part of model
definition
Multiflash
5e<ord Comments
7odel name WILSON
variant A The variant determines the way in
which ;I%s are defined
vapour phase
model
e5uations of state
51
;I% data .*p1!t 8ptional& ;ipXset is the name for a set
of ;I%s defined #y the ;I%S!T
commandF re5uires 2 ;I%s& 'i, and ',i
%oynting
correction
PO4NTING or
NOPO4NTING
the 3ilsonD< activity model with the identifier MWILSONAMR3S. ;I%
values are ta6en from the +previously defined- #ipset 3ILS84;I%2
mo)!l MR3S r< r<;
mo)!l MWILSONAMR3S W*lo% A MR3S WILSON.IP5;
-ilson activity method9 E variant
This model may #e used for vapourDli5uid e5uili#rium calculations
#ut it is not capa#le of prediction li5uidDli5uid immisci#ility. It is
necessary to supply ;I% values to o#tain accurate predictions.
#
RT
$
# $
$
#
V
V
A
RT
E
" "
"
"
"
"
"
"
_
,
_
,
ln
e'p
&
&
part of model
definition
Multiflash
5e<ord Comments
7odel name WILSON
variant 0 or E the variant determines the way in
which ;I%s are defined
vapour phase
model
;1mo)!l model name for an e5uation of state
e5uations of state
;I% data .*p1!t
8ptional& .*p1!t is the name for a
commandF re5uires 2 ;I%s&
A
" and
A
" & plus pure component saturated
li5uid volume V
&
%oynting
correction
PO4NTING or
NOPO4NTING
the 3ilsonD! activity model with the identifier MWILSONEMR3S. ;I%
values can #e ta6en from the data#an6 I4F8;I%S.;I4 #y defining the
;I% data#an6 as
#*p)$t$ *%fo#*p;
#*p!t WILSON.IP5 5 co%t$%t $ct*?*t, D=mol;
52
mo)!l MR3S r< r<;
mo)!l MWILSONEMR3S W*lo% E MR3S WILSON.IP5;
%NIA( liquid activity method
The '4IF<C method is similar to '4I'<C #ut interaction
parameters are predicted #ased on the molecular group structure of
the components in a mi1ture. The model is completely predictive and
does not re5uire any ;I%s.
part of model
definition
Multiflash
5e<ord Comments
7odel name UNIFAC
type of phase
#ehaviour
0 or ;LE
LLE
:apourDli5uid e5uili#rium or li5uidD
li5uid e5uili#riumF determines which
group interaction parameters are used
vapour phase
model
the Gex-model in one of the advanced
e5uations of state
%oynting
correction
PO4NTING or
NOPO4NTING
'sing the more comprehensive '4IF<C< 6eyword& the definitions are)
part of model
definition
Multiflash
5e<ord Comments
7odel name UNIFACA
7odel :ariant ORIGINAL
0> ;LE or
LLE
ORIGINAL
Three model variant identifiers for
selecting the form of the
com#inatorial term and the residual
termF the third variant 6eyword is
currently not used
vapour phase
model
e5uations of state
%oynting
correction
PO4NTING or
NOPO4NTING
the :L! version of the '4IF<C activity model with the identifier
MUNIFAC;LEMR3S.
mo)!l MR3S r< r<;
mo)!l MUNIFAC;LEMR3S UNIFAC ;LE MR3S;
8r&
mo)!l MR3S r< r<;
mo)!l MUNIFAC;LEMR3S UNIFACA ORIGINAL ;LE ORIGINAL
MR3S;
5%
%NIA( for the #S$* equation
This version of 'nifac has #een e1tended to include a num#er of
common gases and is designed for use in the @e1 mi1ing rules of the
%SB( e5uation of state. <lthough the user can define a vapour phase
model as for all versions of 'nifac& it is unnecessary when the model
is used as part of the %SB( e5uation. In 7ultiflash& the %SB( model is
ta6en to include the correction for hydrocar#ons defined in Prediction
of *a"or%li#uid e#uili$ria for as!mmetric s!stems at low and high
"ressures with the P&./ model #y Li& Fischer and @mehling from Fluid
%hase !5uili#ria& $43& .$& +$220-. 'sing the simpler '4IF<C 6eyword&
the definition follows.
part of model
definition
Multiflash
5e<ord Comments
7odel name UNIFAC
7odel :ariant PSR3 Selects the %SB( variant
vapour phase
model
e5uations of state
%oynting
correction
PO4NTING or
NOPO4NTING
3ith the '4IF<C< 6eyword& the definition is)
part of model
definition
Multiflash
5e<ord Comments
7odel name UNIFACA
PSR3
ORIGINAL
currently not used
vapour phase
model
e5uations of state
3ith the '4IF<C< 6eyword& it is also possi#le to specify the %SB(
model without the hydrocar#on correction of Li& Fischer and
@mehling)
part of model
definition
Multiflash
5e<ord Comments
7odel name UNIFACA
PSR3NOHCC
ORIGINAL
currently not used
vapour phase
model
e5uations of state
54
%oynting
correction
PO4NTING or
NOPO4NTING
The following e1ample defines %SB( 'nifac without a gas phase
model.
mo)!l MUNIFACPSR3 UNIFAC PSR3;
Or>
mo)!l MUNIFACPSR3 UNIFACA ORIGINAL PSR3 ORIGINAL;
Or '*t&o"t t&! &,)roc$r#o% corr!ct*o%>
mo)!l MUNIFACPSR3 UNIFACA ORIGINAL PSR3NOHCC
ORIGINAL;
"ortmund Modified %NIA( method
The 9ortmund modified '4IF<C is a variant of '4IF<C that is #etter
a#le to represent the simultaneous vapourDli5uid e5uili#ria& li5uidD
li5uid e5uili#ria and e1cess enthalpies of polar mi1tures. Li6e original
'4IF<C& however& it does not allow for the presence of light gases in
the mi1ture.
part of model
definition
Multiflash
5e<ord Comments
7odel name UNIFACA
7odel :ariant DORTMUND
DORTMUND
ORIGINAL
currently not used
vapour phase
model
e5uations of state
%oynting
correction
PO4NTING or
NOPO4NTING
sets up the ideal li5uid model with the identifier MUNIFACADMMIDG
mo)!l MIDG *)-;
mo)!l MUNFACADMMIDG UNIFACA DORTMUND DORTMUND
ORIGINAL MIDG;
%NIA( +roups and sub+roups
In 7ultiflash& all variants of '4IF<C are handled using the same set of
generic groups and su#groups. The current complete list of groups
and su#groups which cover all the latest pu#licDdomain versions of
original '4IF<C& %SB( and 9ortmund modified '4IF<C are shown in
the following ta#le. The # and r values used in 7ultiflash are given for
original '4IF<C and %SB( '4IF<C in columns 3 and 4& while values
for 9ortmund modified '4IF<C are given in columns / and =. !ntries
mar6ed not applica#le +n?a- denote su#groups that are not part of the
particular variant of '4IF<C. 3hen two main group names are given&
the first is the main group assignment for original and %SB( '4IF<C
while the second is for 9ortmund modified '4IF<C.
55
Su)$roup Main
$roup
r B r
6ortmund
B
6ortmund
CA3
CA2
CA
C
CA2 ,.2,$$
,.=.44
,.44=2
,.2$2/
,.040
,./4
,.220
,
,.=32/
,.=32/
,.=32/
,.=32/
$.,=,0
,..,0$
,.3//4
,
CA2TCA
CATCA
CATC
CA2TC
CTC
A2CTCA2
CTC $.34/4
$.$$=.
,.000=
$.$$.3
,.==,/
$.3/=4
$.$.=
,.0=.,
,.=.=
,.200
,.40/
$.3,20
$.2032
$.2032
$.2032
$.2032
$.2032
n?a
$.=,$=
$.2402
,.02=2
$.2402
,.4/02
n?a
)C*
)C
<CA ,./3$3
,.3=/2
,.4
,.$2
,.3.=3
,.3.=3
,.432$
,.2$$3
<CCA3
<CCA2
<CCA
<CCA2
$.2==3
$.,32=
,.0$2$
,.2=0
,.==
,.340
,.2$
,.2$
,.2$
,.242
,..2=2
,.3.=0
8A
sD8A
tD8A
8A
$.,
n?a
n?a
$.2
n?a
n?a
$.23,2
$.,=3
,.=02/
,.022.
,.0==3
,.034/
CA38A CA38A
$.43$$ $.432 ,.0/0/ ,.2230
A28 A28
,.22 $.4 $..334 2.4/=$
<C8A <C8A
,.02/2 ,.=0 $.,0 ,.2./
CA3C8
CA2C8
CA2C8
$.=.24
$.44/.
$.400
$.$0
$..,40
$..,40
$.=.
$.//42
CA38 CA8
,.220 ,.240 ,..$.3 ,...$
CA2C88
CA3C88
CC88
$.2,3$
$.=.=4
$..20
$.42
$.2.
$.2.
$.=20=
$.4220
CA38
CA28
CAD8
(C012
CA28
$.$4/
,.2$03
,.=2,0
,.2$03
$.,00
,..0
,.4=0
$.$
$.$434
$.$434
$.$434
n?a
$.=,22
$.242/
,.02=0
n?a
CA34A2
CA24A2
CA4A2
mDC4A2
C4A2
$./2/2
$.3=22
$.$4$.
n?a
$./44
$.23=
,.224
n?a
$.==,.
$.==,.
$.==,.
$.==,.
$.=2,4
$.33..
,.20/
,.20/
CA34A
CA24A
CA4A
C4A
$.433.
$.2,.
,.2.2/
$.244
,.23=
,.=24
$.3=0
$.3=0
$.3=0
$.4332
$.,0,/
,..2.0
<C4A2 <C4A2
$.,= ,.0$= $.$042 ,.0,=.
CA3C4
CA2C4
CC4
$.0.,$
$.=434
$..24
$.4$=
$.//./
$.//./
$./$23
$.$===
C88A C88A
$.3,$3 $.224 ,.0 ,.22$/
AC88A C88A?
mDC88A
$./20 $./32 ,.0 $.2.42
CA2CL
CACL
CCL
CCL
$.4=/4
$.230
$.,$,=
$.2=4
,.2/2
,..24
,.22$2
,.22$2
,.22$2
$.3=/4
$.,$2.
,.==
CA2CL2
CACL2
CCL2
CCL2
2.2/=4
2.,=,=
$.200
$.=04
$.0
$.0
2./
2.$4.3
5@
Su)$roup Main
$roup
r B r
6ortmund
B
6ortmund
$.0,$= $.440 $.0 $..24=
CACL3 CCL3?
mDCCL3
2.0. 2.4$ 2.4/ 2.02$2
CCL3 CCL3
2.=4,$ 2.$04 2.=/ 2.3..0
CCL4 CCL4
3.32 2.2$ 2.=$0 3.$03=
<CCL <CCL
$.$/=2 ,.044 ,./3=/ ,.3$..
CA3482
CA2482
CA482
CA3482
2.,,0=
$..0$0
$.//44
$.0=0
$./=
$.240
2.=44
2./
2.00.
2./
2.3,4
2.24$
<C482 <C482
$.4$22 $.$,4 ,.4=/= ,.3/02
CS2 CS2
2.,/. $.=/ $.24 $.,=0
CA34
CA24
+C-34
$.$0=/
,.2/2.
,.24
,.=32
$.,.4=
$.,.4=
$.$.=
,.024
AC88 AC88
$.242 $.$00 $.2 $.0
I I
$.2=4 ,.222 $.,.= ,.2$=2
;B ;B
,.2422 ,.032 $.2,2 $.4
CA3SA
CA2SA
CASA
CSA
CA3SA
$.0..
$.=/$
$.42/
$.$22
$.=.=
$.3=0
$.,=
,../2
$.202
$./3/
n?a
n?a
$..=2
$.3$=
n?a
n?a
C01C0120
C020C03
C020C01
C03C0120
C0C0120
CC8A
$.0.00
$.0.0
$.=/$3
2.$,//
$.=/$3
$.==4
$.==
$.3/2
$.2.2
$.3/2
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
F'BF'B<L F'BF'B<L
3.$=0 2.404 $.222 $.202
C4045
C4065
C4035
<C2A24
<C2A4
<C24
r$D<C2A24
r2D<C2A24
r$D<C2A4
%>BI9I4!
2.2223
2.0332
2.==.
n?a
n?a
n?a
n?a
n?a
n?a
2.$$3
$.033
$.//3
n?a
n?a
n?a
n?a
n?a
n?a
2./
2.0002
3.22$$
$.4/.0
$.2323
$.,.3$
$.4/.0
$.4/.0
$.2323
2.$4..
2.242=
2./
,.2,22
,.=33
,.3/3
,.2,22
,.2,22
,.=33
+CA28A-2 98A
2.4,00 2.240 2.,00 2.4
CARRRC
CRRRC
CARRRCA
CRRRC
$.222
$.,=$3
,..2$
$.,00
,..04
,..2
,.22$4
$.3,3
n?a
$.3
$.$32
n?a
97S8 97S8
2.02== 2.4.2 3.= 2.=22
<CB> <CB>
2.3$44 2.,/2 $., ,.22
CLD+CTC- CLCC
,..2$ ,..24 ,./222 ,..32$
<CF <CF
,.=240 ,./24 ,.00$4 ,..2=2
97FD$
97FD2
97F
3.,0/=
2.=322
2..3=
2.$2
2.,
2.30$
2.,23
$./22
CF3
CF2
CF
CF2
$.4,=,
$.,$,/
$.30
,.22
$.204
$.204
$.2==
$.,20
5/
Su)$roup Main
$roup
r B r
6ortmund
B
6ortmund
,.=$/ ,.4= ,.02$/ ,./$3/
C88 C88
$.30 $.2 $.= ,.2
SIA3
SIA2
SIA
SI
SIA2
$.=,3/
$.4443
$.20/3
$.,4.
$.2=3
$.,,=
,..42
,.4,22
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
SIA28
SIA8
SI8
SI8
$.4030
$.3,3
$.$,44
$.,=2
,..=4
,.4=/
n?a
n?a
n?a
n?a
n?a
n?a
47% 47%
3.20$ 3.2 n?a n?a
CCL3F
CCL2F
ACCL2F
ACCLF
CCLF2
ACCLF2
CCLF3
CCL2F2
CCLF
3.,3/=
2.220.
2.4,=
$.=423
$.0$.4
$.2=.
2.$.2$
2.=243
2.=44
$.2$=
2.$$=
$.4$=
$.=40
$.020
2.$
2.3.=
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
C84A2
C84ACA3
C84ACA2
C84
$.4/$/
2.$2,/
$.2=3.
$.240
$..2=
$.400
n?a
$./
$./
n?a
$.,0
$.,0
C84+CA3-2
C84CA3CA2
C84+CA2-2
C84?
mDC84
2.0/02
2.=322
2.4,/4
2.420
2.$2
$.0$2
2.4.40
2.2.32
2.,.=.
$.2=43
$././4
$.$0==
C2A/82
C2A482
8CC8A
2.$22=
$.02/2
$.2,4
$./22
n?a
n?a
n?a
n?a
CA3S
CA2S
CAS
CA2S
$.=$3
$.30=3
$.$/02
$.3=0
$.,=
,..40
n?a
n?a
n?a
n?a
n?a
n?a
78B%A 78B%A
3.4.4 2..2= n?a n?a
C606&
C603&
C601&
TAI8%A!4
2.0/=2
2.=2,0
2./24.
2.$4
$.0=
$./0
n?a
n?a
n?a
n?a
n?a
n?a
C82+ C82
$.3 ,.202 n?a n?a
CA4+ CA4
$.$222 $.$24 n?a n?a
42+ 42
,.0/= ,.23 n?a n?a
A2S+ A2S
$.23/ $.2,2 n?a n?a
A2+ A2
,.4$= ,./.$ n?a n?a
C8+ C8
,..$$ ,.020 n?a n?a
4A3+ 4A3
,.0/$ ,...0 n?a n?a
<B+ <B
$.$.. $.$$= n?a n?a
82+ 82
,..33 ,.042 n?a n?a
A2C8CA2+
A2C8CA+
A2C8C+
AC8CA+
AC8C+
C8C+
!%8U>
$./22=
$.3=/2
$.$3.0
$.$3.0
,.2$,4
,.=022
$.32
$.,,0
,..0
,.=2=
,.4=0
,.24
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
50
Su)$roup Main
$roup
r B r
6ortmund
B
6ortmund
AF+ AF
$.,$= $.2$= n?a n?a
AI+ AI
$.323 $.2,0 n?a n?a
C8S+ C8S
$.=.0/ $.3$= n?a n?a
S82+ S82
$.343 $.$=4 n?a n?a
48+ 48
,..$= ,.=2 n?a n?a
428+ 428
,.20 ,.000 n?a n?a
SF=+ SF=
2.3.4 2.,/= n?a n?a
A!+ A!
,.00/ ,.20/ n?a n?a
4!+ 4!
,.00= ,.20= n?a n?a
(B+ (B
$.$2 $.$2 n?a n?a
U!+ U!
$.$3 $.$3 n?a n?a
ACL+ ACL
$.,/= $.2/= n?a n?a
A;B+ A;B
$.,/0 $.2/0 n?a n?a
F2+ F2
,../ ,.00 n?a n?a
CL2+ CL2
$./3 $.44 n?a n?a
;B2+ ;B2
$.2 $.== n?a n?a
AC4+ AC4
$.2 $.$2 n?a n?a
482+ 482
$., $.$ n?a n?a
CF4+ CF4
$..0 $.02 n?a n?a
83+ 83
$.$ $.2. n?a n?a
CL48+ CL48
$.40 $.34 n?a n?a
C2A= C2A=
n?a n?a n?a n?a
cDCA2
cDCA
cDC
cDCA2
n?a
n?a
n?a
n?a
n?a
n?a
,..$3=
,.34.2
,.34.
,.0=3/
,.$,.$
,
cDCA28CA2
cDCA28C?2A
cDC?2A8C?2A
cDCA28
n?a
n?a
n?a
n?a
n?a
n?a
$..,23
$.4,4=
$.,4$3
$.0.04
$.4
$.,$$=
cDC84CA3
cDC84CA2
cDC84CA
cDC84C
cDC84C
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
3.20$
3../43
3./2=0
3.2224
3.2
2.022
2./0
2.2/2
<C2A2S
<C2AS
<C2S
r$D<C2A2S
r2D<C2A2S
r$D<C2AS
<CS
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
n?a
$..243
$.=202
$.4=2$
$..243
$..243
$.=202
$.34
$.,=
,..0
$.34
$.34
$.,=
4otes on the ta#le) the identifiers shown are as used in 7ultiflashF
they are not caseDsensitive. If the user introduces an identifier for a
su#group or group which is not present in the ta#le& it is ta6en to #e a
new userDdefined su#group or group. 7ultiflash allows up to $, userD
defined su#groups and $, userDdefined groups to #e present at any
time. Su#groups shown in italics are not generic identifiers and
should #e avoided. Su#groups mar6ed with a + sym#ol only occur in
52
%SB( '4IF<CF if they are present when other variants of '4IF<C are
used& they will cause an error to occur.
3hen a particular variant of '4IF<C is invo6ed& the generic '4IF<C
su#groups are translated to other su#groups within the actual
'4IF<C model. The translation rules for original '4IF<C and %SB(
'4IF<C are as follows.
cDCA2CA2
cDCACA
cDCC
sD8A8A
tD8A8A
cDCA28CA2CA2 * FCA28
cDCA28C?2AY CA2 * FCA28
cDC?2A8C?2AFCA28
<C2A2SC4A4S Q 2 <CA
r$D<C2A2SC4A3S Q <CA Q <C
r2D<C2A2SC4A2S Q 2 <C
<C2ASC4A3S Q 2 <CA
r$D<C2A4C4A3S Q 2 <CA
<C2SC4A2S Q 2 <CA
<C2A24C/A/4 Q 3 <CA
r$D<C2A24C/A44 Q 2 <CA Q <C
r2D<C2A24C/A34 Q <CA Q 2 <C
<C2A4C/A44 Q 3 <CA
r$D<C2A4C/A34 Q 2 <CA Q <C
<C24C/A34 Q 3 <CA
C2A=2 CA3
For 9ortmund modified '4IF<C the translation ta#le is)
47%cDC84CA3 * 3 cDCA2
r$D<C2A2S<C2A2S
r2D<C2A2S<C2A2S
r$D<C2AS<C2AS
r$D<C2A24<C2A24
r2D<C2A24<C2A24
r$D<C2A4<C2A4
C2A=2 CA3
%ser&modified %NIA( +roups and sub+roups
For each definition of a '4IF<C model the user can amend the
su#group and group definitions using the '4IF<C< 6eyword in
com#ination with the data 6eyword. For e1ample&
mo)!l MUNIFAC UNIFACA ORIGINAL ;LE ORIGINAL MIDG
PO4NTING DATA
SU.GROUP HCOOH /.55: /.585 HCOOH
SU.GROUP S9CH8 6.:H 6.:4 CH5
SU.GROUP CH8 6.H/ 6.:5 CH5
GROUP HCOOH CH5 886 R6./ 6
GROUP CH5 HCOOH 576 6.5 6
;;
4ote that if a gas phase model is not re5uired& the =th 6eyword can #e
replaced #y a R to indicate it is undefined.
<fter the data 6eyword repeated S';@B8'% and @B8'% 6eywords
can #e used to modify the su#group and group definitions used in the
instance of '4IF<C referred to #y the 7'4IF<C identifier. The
6eyword S';@B8'% must always #e followed #y four further
6eywords giving the name of the su#group in 5uestion& its r value& its
@!
# value and the name of the main group to which the su#group
#elongs. The 6eyword @B8'% must always #e followed #y the name of
the first and second groups to which it applies followed #y three
coefficients a+ $+ c defining the group interaction parameter according
to the relation&
A
"
=a+bT+cT
2
where ) is the a#solute temperature in 6elvin. 4ote that group
interactions #etween any pair of groups re5uires two @B8'%
6eywords for a complete definition of 'i, and ',i.
In the '4IF<C e1ample a#ove& the user has decided that the formic
acid su#group should have its own main group which will #e called
AC88A. The r and # values are in fact set to the normal values for
su#group AC88A. ;ecause there is no standard main group called
AC88A& 7ultiflash will create a new userDdefined main group of this
name with group interaction parameters #etween AC88A and all
other main groups set to "ero. 4e1t the user has decided to introduce
a new su#group SDCA3 to denote a secondary methyl group which is
defined as #elonging to the e1isting CA2 main group. The e1isting
CA3 su#group is amended to have nonDstandard r and # values of
,.2$ and ,.0/ respectively. Finally the user has defined the group
interaction parameters #etween AC88A and CA2 to #e linear
functions of temperature.
It is possi#le to add appro1imately $,, S';@B8'% and @B8'%
6eywords to a 'nifac model definition #efore 7ultiflashCs internal
storage limits are reached.
9ther thermodnamic models for fluids
Electrolyte model
The new electrolyte model is designed to #e added on to any e5uation
of state. The models selection form allows it to #e selected for use
with the <dvanced B(S e5uation and the C%< model. It represents
salts as e5uivalent mi1tures of sodium& potassium& calcium& chloride
and #romide ions.
The following e1ample sets up models 7A>9$7B(S<4BTLand
7A>927B(S<4BTL for hydrate structures I and II using the
!lectrolyte model.
mo)!l MDH LRELECTROL4TE DH .ORN ;IRIAL;
mo)!l MTEST LREPHCHEC3;
mo)!l MADDMR3SANRTLMDH ADD EANAL MTEST MR3SANRTL MDH;
The following e1ample sets up models 7A>9$7<SS8C and
7A>927<SS8C for hydrate structures I and II using the !lectrolyte
and C%< model .
#*p!t ASSOC.IP / co%t$%t;
#*p!t ASSOC.IP95 / co%t$%t;
mo)!l MDH LRELECTROL4TE DH .ORN ;IRIAL;
mo)!l MTEST LREPHCHEC3;
mo)!l MADDMASSOCMDH ADD EANAL MTEST MASSOC MDH;
@1
mo)!l MH4D/MASSOC H4DRATE I MASSOC;
mo)!l MH4D5MASSOC H4DRATE II MASSOC;
(!STA1" liquid density model
The C8ST<L9 model is a corresponding states method for predicting
the density of li5uid mi1tures. It is valid for li5uids on the saturation
line and for compressed li5uids up to a reduced temperature of ,.2.
The volume of a li5uid on the saturation line is defined #y)
[ ]
V
V
V V
sat
R R
&
( ) ( )

0 1
1
where
V
sat
is the saturated li5uid volume&
V
&
is a characteristic
volume for each su#stance&
is the acentric factor and V

R
( ) 0
and
V
R
( ) 1
are generalised functions of reduced temperature. In the
Infochem implementation
V
&
is o#tained #y matching the saturated
li5uid volume stored in the data#an6 at 220 ( or a reduced
temperature of ,..& whichever is the lower.
The volume of a compressed li5uid is given #y)
V
V
C
B p
B p
sat sat

+
+
_
,
1
]
1
1 ln
where
B is a generalised function of reduced temperature and
& C
is a generalised function of
& and p
sat
is the saturation pressure at
the given temperature.
part of model
definition
Multiflash
5e<ord Comments
7odel name COSTALD
;I% data #*p!t optional& #*p!t is the name for a set
of ;I%s defined #y the ;I%S!T
commandF re5uires $ ;I%&
k
"

Henry0s law model for water
< specialised model for predicting solu#ility of light gases in water at
low concentrations.
part of model
definition
Multiflash
5e<ord Comments
7odel name HLW
li5uid phase model L1mo)!l model name for a model that is used
to o#tain the properties of pure water
in the li5uid phase
@2
"hermodnamic models for solids
Gas hydrate model
The original Infochem model uses a modification of the B(S e5uation
of state for the fluid phases plus the van der 3aals and %latteeuw
model for the hydrate phases. The model introduced in 7ultiflash 2.2
uses the C%< model for the fluid phases. The hydrate models have
also #een e1tended to include hydrate structure A in addition to
structures I and II. The model can e1plicitly represent all the effects of
the presence of inhi#itors& although parameters for the C%< model
are only provided for methanol& 7!@ and salt. C%< parameters for
additional thermodynamic inhi#itors will #e added in future versions.
The hydrate model can #e used in conEunction with either the B(S<
e5uation of state or C%< model and the 8IL<49@<S ;I% correlations.
part of model
definition
Multiflash
5e<ord Comments
7odel name H4DRATE
structure type 0 or II
I
H
hydrate structure II
hydrate structure I
hydrate structure A
to o#tain the properties of pure water
in the li5uid phase
The following e1ample sets up models 7A>9$7B(S<4BTL and
7A>927B(S<4BTL for hydrate structures I and II using the B(S<
eos with Infochem mi1ing rules to get the properties of the li5uid
phase.
The following e1ample sets up models 7A>9$7<SS8C and
7A>927<SS8C for hydrate structures I and II using the C%< model.
There are two sets of ;I%s re5uired #y C%< model which have to #e
defined #efore the model specification.
#*p!t ASSOC.IP / co%t$%t;
#*p!t ASSOC.IP95 / co%t$%t;
mo)!l MH4D/MASSOC H4DRATE I MASSOC;
mo)!l MH4D5MASSOC H4DRATE II MASSOC;
Nucleation model
This model is an e1tension of the e1isting thermodynamic model for
hydrates descri#ed a#ove. In order to e1tend the nucleation model
into the 7ultiflash program& the following enhancements to the
nucleation model were made)
The model was e1tended to cover the homogeneous
nucleation of ice and fitted to availa#le ice nucleation
data.
The model was generalised to cover in principle
nucleation from any li5uid or gas phase.
@%
< correction for heterogeneous nucleation was included
that was matched to availa#le hydrate nucleation data.
<n improved e1pression was adopted for fluid diffusion
rates.
7ore ro#ust numerical methods were introduced into the
program.
The nucleation model provides an estimate of the temperature or
pressure at which hydrates can #e realistically e1pected to form. The
model is #ased on the statistical theory of nucleation in
multicomponent systems. <lthough there are limitations and
appro1imations involved in this approach it has the maEor #enefit
that a practical nucleation model can #e incorporated within the
framewor6 of a traditional thermodynamic hydrate modelling
pac6age.
3ith the e1isting Infochem hydrate model and the nucleation model&
the hydrate formation and dissociation #oundaries can #e predicted
#etween which is the hydrate formation ris6 area.
The following e1ample sets up the nucleation model in association
with the hydrate model 7A>9$7B(S<4BTL and 7A>927B(S<4BTL
descri#ed a#ove for hydrate structures I and II and the 7B(S4BTL for
the fluid phases.
mo)!l MNUCL/MH4D/MR3SANRTL .PNUC MH4D/MR3SANRTL;
mo)!l MNUCL5MH4D5MR3SANRTL .PNUC MH4D5MR3SANRTL;
Solid free:eout model
This model is used to calculate the thermodynamic properties
of solid phases formed #y free"ing one or more of the
components in the fluid mi1ture. It may #e applied to any
component where this may #e a consideration. The free"eDout
model in general is defined #y)
ln
=ln
l%
(
HT
r&'
C
p
R
)
(
1
T

1
T
r&'
)
+
(
corr
R
+
C
p
R
ln
(
T
T
r&'
)
( pp
atm
)V
RT
For the free"eDout of pure solids& the parameters are as follows)
is the fugacity coefficient of pure solid component &
l%

is the fugacity coefficient of the same component as a pure
li5uid at the same pressure
p
and temperature T +calculated
from the li5uid phase model associated with the free"eDout
model-& 1 & H &
C
p and V are the changes in molar
enthalpy& molar heat capacity and molar volume respectively
on fusion at the melting point& r&'
T
is a reference temperature
which corresponds to the normal melting point when
0
corr
(

which is assumed in this case.
p
atm
is atmospheric pressure.
H &
C
p and V are constants& which are normally
o#tained from the chosen data source.
Solid free"eDout can #e used to model the solidification of
compounds such as water& car#on dio1ide or methane& for
e1ample in natural gases. It can also #e used to model
eutectics. In its general form& the free"eDout model can #e
applied to any solid phase of fi1ed composition& which must #e
defined. The model can for e1ample #e applied to hydrated
@4
salts such as monoethylene glycol +7!@- monohydrate or to
crystalline mineral salts& i.e. scales. If 1 & the solid fugacity
coefficient is defined relative to the li5uid phase of the same
composition whereas& if 0 & the solid fugacity coefficient is
an a#solute value.
corr
(
is a molar enthalpy correction factor
that allows the reference temperature r&'
T
to #e different
from the normal melting point. For solid phases that are not
pure su#stances& the parameters H &
C
p V &
corr
(
and
r&'
T
must #e defined specifically for the phase in 5uestion.
The #asic pure component form of the model can #e defined as
follows.
part of model
definition
Multiflash
5e<ord Comments
7odel name FREEEEOUT
solid component comp1%$m!
comp1%o
name or serial num#er +in order of
component definition- of the
component in the pure solid phase
to o#tain the properties of the pure
component in the li5uid phase
The following e1ample sets up a model for an ice phase +
MICEMR3SANRTL - using the B(S< eos with Infochem mi1ing rules to
get the properties of the li5uid phase.
mo)!l MICEMR3SANRTL FREEEEOUT '$t!r MR3SANRTL;
The advanced form of the model is defined as follows)
part of model
definition
Multiflash
5e<ord Comments
7odel name FREA
reference state LIGUID or
ACTI;IT4
T$
T,
li5uid phase model L1mo)!l 7odel name for a model that is used
to o#tain the properties of the pure
component+s- in the li5uid phase.
variants 6eyword DATA 'sed to specify model parameters
for free"eDout phase.
model variants
repeated +order
optional-
COMPONENT
;MELT
HMELT
SMELT
CPMELT
TMELT
7odel parameter 6eywords each
followed #y appropriate values.
!ach model variant must #e followed #y associated values as given in
the following ta#le.
Multiflash
5e<ord
:ssociated value-s.
COMPONENT
;MELT
N$m! or CAR %"m#!r of
compo%!%t follo'!) #,
*t $#"%)$%c!
V
H
@5
HMELT
SMELT
CPMELT
TMELT
Scorr
Cp
)ref
This e1ample defines a solid phase of calcium chloride dihydrate)
mo)!l MNACL.5BH5OC FREA ACTI;IT4 MR3SANRTL DATA
COMPONENT C$MM / COMPONENT Cl9 5 COMPONENT '$t!r 5
;MELT /.4!94 HMELT R84745 SMELT /68.85 CPMELT R5N4.:H
TMELT 5H:./5;
-a) models
The original wa1 model + called 7ultisolid - is now removed in
7ultiflash 3.2.and only the Coutinho wa1 model +called 7ultisolution-
is availa#le.
The models can #e used to predict the wa1 appearance temperature
and the wa1 deposition from crude oils. The Coutinho wa1 model has
to #e used in associated with the normalDparaffin pseudocomponents
and can predict the wa1 appearance temperature and deposition more
accurately.
3a1es are mainly formed from normal paraffins #ut isoparaffins and
naphthenes are also present. Some wa1es also have an apprecia#le
aromatic content. 3a1es phase formation shows a very comple1 range
of #ehaviour. 3hen wa1es form from crude oils& the individual
fractions do not form a solid solution #ut they individually free"e out
to form a mi1ture of solids& defined as a multiDsolid phase.
*art of model
definition
Multiflash
5e<ord Comments
7odel name co"t*%&o Infochem new wa1 model& called
7ultisolution + coutinho- wa1 model.
variant W*lo% or
"%*2$c
'sed together to define the couthino
wa1 model& which can #e wilson or
unifac.
to model the fluid phase
The following e1ample for Coutihno wa1 model + multisolution - sets
up a model for a wa1 phase using B(S< eos to get the properties of
the li5uid phase.
Mo)!l MR3SA R3SA PSAT LDEN ;DW R3SA.IP;
mo)!l MWAOMR3SA COUTINHO WILSON MR3SA;
Asphaltene model
<sphaltenes& heavy aromatic residues of the oil are another type of
solid deposition that can occur from crude oils. They are thought to
#e polycyclic aromatics of very high molecular weight. They also
contain nitrogen and sulphur. <sphaltenes are polar compounds and
they are sta#ilised in crude oil #y the presence of resins which are
also polar compounds and have a strong tendency to associate with
asphaltenes.
@@
*art of model
definition
Multiflash
5e<ord Comments
7odel name RAEGUIL
variants 6eyword DATA 'sed to specify model parameters #y
users for asphaltene phase.
model variants
repeated +order
optional-
AAP
AAE
RAP
RAE
7odel parameter 6eywords each
followed #y appropriate values.
The following e1ample sets up a model for gas and li5uid phases
using B(S< model and a model for a asphaltene phase using
asphaltene association model and default model parameters. Then
com#ine those two models together to create a general model for the
phase e5uili#rium calculations.
mo)!l MREFFLUID R3SA PSAT LDEN ;DW ASPHALT.IP;
mo)!l MREFASPHALTENE RAEGUIL;
mo)!l MADD ADD EANAL MREFFLUID MREFASPHALTENE;
There are four model parameters. The following is the e1ample to
change and modify the model parameters.
mo)!l MREFASPHALTENE RAEGUIL DATA AAP value_aap
AAE value_aae RAP value_rap RAE value_rae;
where AAP and AAE are the 6eywords for asphalteneDasphaltene
interaction parameters& followed #y the corresponding values& their
positions indicated in italicsF RAP and RAE are for those for resinD
asphaltene interactions. DATA mar6s the start of model parameters
entry and must #e present if model parameters are entered directly.
Viscosit models
SuperT$A## viscosity model
The SuperTB<%% method is a predictive e1tended corresponding
states model that uses propane as a reference fluid. It can predict the
viscosity of petroleum fluids and wellDdefined components over a
wide range of thermodynamic states from the dilute gas to the dense
fluid. The #asic idea #ehind this model is that the viscosity of a
mi1ture can #e e5uated to the viscosity of a hypothetical pure fluid
which is then related to the viscosity of a reference fluid at a
correspondingDstate point +,, &T,-. In order to improve the viscosity
prediction for cycloal6anes and highly #ranched al6anes& the concept
of mass shape factor in introduced in this method. In order to apply
the method& the following are re5uired)
<n e5uation of state for the reference fluid&
Correlation for the viscosity of the reference fluid&
The critical parameters& acentric factor and molecular weight
of the fluid of the interest or for each component of the
mi1ture of the interest.
The original method is not applica#le to a5ueous mi1tures of
alcohols& glycols or salts. The Infochem implementation of
Super TB<%% model includes modification to ensure that the
viscosity of a5ueous solutions of methanol& ethanol 7!@& 9!@
and T!@ or salts and ions are predicted reasona#ly well.
@/
Two variants of the SuperTB<%% model are implemented)
Standard SuperTB<%% model as descri#ed a#ove.
Li5uid viscosity fitting. <n internal model parameter is
adEusted to match the e1perimental measurements.
8verall the SuperTB<%% method is the most versatile method
for viscosity predictions and its performance is generally #etter
than the other methods availa#le in 7ultiflash. 3e would
recommend this method for oil and gas application. It is the
default viscosity model for use with e5uations of state.
Beference) Au#er& 7. L. I Aanley& A.H.7. +$22=- The
correspondingDstates principle) 9ense Fluids. In H. 7illat& H. A.
9ymond I C. <. 4ieto +!ds.-& )rans"ort "ro"erties of (luids7
)heir correlation+ Prediction and Estimation. Cam#ridge
'niversity %ress.
part of model
definition
Multiflash
5e<ord Comments
7odel name SP;ISC
model variant 0 or SP;ISC
LFIT
Standard SuperTB<%% method
Fits SuperTB<%% parameters to match
reference viscosity for each
component
#edersen model
This is a predictive corresponding states model originally developed
for oil and gas systems. It is #ased on accurate correlations for the
viscosity and density of the reference su#stance which is methane.
The model is applica#le to #oth gas and li5uid phases. The Infochem
implementation of the %edersen model includes modifications to
ensure that the viscosity of li5uid water& methanol& ethanol& 7!@& 9!@
and T!@ and a5ueous solutions of these components or salt are
predicted reasona#ly well. 3e would recommend this method for oil
and gas applications.
7ultiflash includes two variants of the %9: model. The first uses the
Infochem implementation of the original %9: method. The second
variant fits parameters in the model to reproduce the saturated li5uid
viscosity of each component at its #oiling point.
Beference) %edersen& Fredenslund and Thomassen& Pro"erties of 2ils
and 5atural Gases& @ulf %u#lishing Co.& +$202-.
part of model
definition
Multiflash
5e<ord Comments
7odel name PD;ISC
model variant 0 or PD;ISC
LFIT
Standard %9: method
Fits %9: parameters to match
component
Twu model
This is a predictive model suita#le for oils. It is #ased on a correlation
of the <%I nomograph for 6inematic viscosity plus a mi1ing rule for
#lending oils. It is only applica#le to li5uids.
@0
7ultiflash includes two variants of the T3: model. The first uses the
Infochem implementation of the original %9: method. The second
variant fits parameters in the model to reproduce the saturated li5uid
viscosity of each component at its #oiling point.
Beference) Twu& Generalised method for "redicting *iscosities of
"etroleum fractions& <ICh! Hournal& 32& 2,2$& +$20=-.
part of model
definition
Multiflash
5e<ord Comments
7odel name TW;ISC
model variant 0 or TW;ISC
LFIT
Standard T3: method
Fits T3: parameters to match
component
1ohren:&,ray&(lar' viscosity model
The L;C method is a predictive model for gas or li5uid viscosity. It is
mainly applica#le to the types of components in oil and gas
processing operations.
This model is a predictive model which relates gas and li5uid
densities to a fourth degree polynomial in reduced density.

r c
)
( )
[ ]
+ + + + +
&
/
10
1
1 2 3
2
3
$
a a a a a
r r r r
where a
1
& a
2
& a
3
& a
and a
$
are constants. For pure components
the viscosity reducing parameter is defined #y
T M) p
c c
1 ! 1 2 2 3 / / /
where T
c
and p
c
are respectively the critical temperature and critical
pressure and M)is the component molecular weight. For a mi1ture
these properties are calculated using mole fraction averages.
In 7ultiflash the fluid densities are derived from any chosen e5uation
of state& rather than the correlations proposed #y Lohren" et al. This
has the advantage that there is no discontinuity in the dense phase
region when moving #etween li5uidDli6e and gasDli6e regions.
7ultiflash also allows two variants of the L;C model. The first uses
the original L;C method to estimate the critical volume of petroleum
fractions and ta6es the critical volume of other components from the
chosen data source. The second variant fits the critical volume of each
component to reproduce the li5uid viscosity at the #oiling point.
part of model
definition
Multiflash
5e<ord Comments
7odel name L.C
model variant 0 or L.C
LFIT
Standard L;C method
Fits L;C parameters to match
component
fluid phase model fl"*)1mo)!l model name for a model that is used
to o#tain the density of the mi1ture in
a fluid phase
This e1ample sets up an eos model +MR3SA- and then defines the L;C
viscosity model using MR3SA to calculate the density.
@2
mo)!l MR3SA r<$ p$t l)!%;
mo)!l ML.CMR3SA L.C 0 MR3SA;
1iquid viscosity mi)in+ rule
This method o#tains the li5uid mi1ture viscosity #y applying a simple
mi1ing rule to the pure component saturated li5uid viscosities
o#tained from a data#an6. The data#an6 specified for each
component must contain a li5uid viscosity correlation.
ln
ln

$
$
where
is the and pure li5uid viscosity for component and $
is
the num#er of moles of component i in the mi1ture.
part of model
definition
Multiflash
5e<ord Comments
7odel name L;S/
;apour viscosity mi)in+ rule
This method o#tains the vapour mi1ture viscosity #y applying a
simple mi1ing rule to the pure component vapour viscosities at "ero
density o#tained from a data#an6. The data#an6 specified for each
component must contain a gas viscosity correlation.

$ M
$ M
where M
and
are the molecular weight and pure gas viscosity for

component and $
is the num#er of moles of component i in the

mi1ture.
part of model
definition
Multiflash
5e<ord Comments
7odel name ;;S/
"hermal conductivit models
(hun+&1ee&Starlin+ model
The CLS method is a predictive model for gas or li5uid thermal
conductivity. It is mainly applica#le to the types of components in oil
and gas processing operations.

+
p

1
]
1 0
2
1
H
B Y
/!
where
0
is a generalised function of reduced temperature& B
is a
generalised function of
& H
2
is a generalised function of
r
and Y
is a function of volume.
part of model
definition
Multiflash
5e<ord Comments
7odel name CLS
fluid phase model fl"*)1mo)!l 7odel name for a model that is used
a fluid phase
SuperT$A## thermal conductivity model
The STB<%% method is an e1tended corresponding states model that
can #e used for petroleum fluids& wellDdefined components and pure
su#stances.
In general the thermal conductivity is defined as the sum of the
internal contri#ution and the translational contri#ution. The
translational contri#ution can #e defined as three parts) the dilute gas
contri#ution& the residual and critical enhancement contri#ution.
*
!
( T + , +{!})=*
!
int
(T + {!})+*
!
-l.t&/as
( T +{!})+*
!
r&s
(T + , + {!})+*
!
Crt
( T + , + {!})
For a mi1ture& the internal contri#ution *
!
int
can #e estimated from
the empirical mi1ing and com#ining rules using the modified !uc6en
correlation for the individual components.
For the dilute gas term& the e1pression for the translational
contri#ution is formulated as
*
!
-l.t&/as
(T + {!})=
1$ R0
!
o
(T )
-
!

in units of mW8m8/. R is the molar gas constant in units of
J / mol / K and
M
!
is the molecular weight for the mi1ture in
unit of g?mol and the e1pression of 0
!
o
(T ) for a mi1ture is
given as follows.
0
!
o
(T )=
=1
$
!
o
(T ) M
1/ 2
=1
$
!
!
M
1 / 2
and M
!
=
=1
$
!
3here 0
o
is the dilute gas viscosity given #y Lucas correlation
in unit of 12 .
The e1pression of the residual contri#ution term is evaluated using
the e1tended corresponding state method and is related to the
thermal conductivity of a reference fluid of propane at a
corresponding state&
( ,
o
+T
o
)
.
*
!
r&s
(T + ,)=*
o
r&s
(T
o
+ ,
o
)F
*
where the
F
*
calculation re5uires mi1ing and com#ining rules
for the mi1tures.
/1
In the current version of STB<%% in 7ultiflash 3.2& the critical
enhancement term& *
!
Crt
is omitted since the critical enhancement
for mi1tures is usually very small.
part of model
definition
Multiflash
5e<ord Comments
7odel name SPTHCOND
1iquid thermal conductivity mi)in+ rule
This method o#tains the li5uid mi1ture thermal conductivity #y
applying a simple mi1ing rule to the pure component saturated li5uid
thermal conductivities o#tained from a data#an6. The data#an6
specified for each component must contain a li5uid thermal
conductivity correlation.
1
1
2
2

$ M
$ M
where M
and
are the molecular weight and pure saturated li5uid

thermal conductivity of component and $
is the num#er of moles

of component i in the mi1ture..
part of model
definition
Multiflash
5e<ord Comments
7odel name LTC/
;apour thermal conductivity mi)in+ rule
This method o#tains the vapour mi1ture thermal conductivity #y
applying a simple mi1ing rule to the pure component vapour thermal
conductivities at "ero density o#tained from a data#an6. Be5uires
that the data#an6 specified for each component contains a gas
thermal conductivity correlation.

$ M
$ M
where M
and
are the molecular weight and pure gas thermal

conductivity of component and $
is the num#er of moles of

component i in the mi1ture.
part of model
definition
Multiflash
5e<ord Comments
7odel name ;TC/
/2
Surface tension models
1inear Gradient Theory
This method predicts the interfacial tension #etween
two phases. The possi#le pairs of phases are) Li5uid ?
@as and Li5uid ? Li5uid.
The model uses the difference in densities #etween
the two phases and the energy gradient that arrives
from the fact that the phases are immisci#le to predict
the interfacial tension.
3=
,
4
r&'
,
r&'
44
2c
(
(
1
( ,)1
&%
)
( 2( ,)2
&%
)
)
-,
r&'
3here is the density& is the chemical potential& P is
the pressure and is the interfacial tension. The
parameter c is called the influence parameter and is a
function of temperature.
part of model
definition
Multiflash
5e<ord Comments
7odel name LGST
li5uid phase model EOS1mo)!l 7odel name for an e5uation of state
density and thermodynamic properties
of the mi1ture.
Macleod&Su+den surface tension method
The 7CS method is a predictive model for surface tension #ased on
the "arachor stored in the data#an6. It is mainly applica#le to the
types of components in oil and gas processing operations.

1 /
( )
2 ! y
l 5
where)
2
is the parachor for component
l
is the li5uid molar density
5
is the vapour molar density
!
is the li5uid mole fraction

y
is the vapour mole fraction

part of model
definition
Multiflash
5e<ord Comments
7odel name MCS
li5uid phase model l*2"*)1mo)!l 7odel name for a model that is used
the li5uid phase
/%
Surface tension mi)in+ rule
This method o#tains the surface tension of a li5uid mi1ture #y
applying a simple mi1ing rule to the pure component saturated li5uid
surface tensions o#tained from a data#an6. Be5uires that the
data#an6 specified for each component contains a li5uid surface
tension correlation.
1
1

$
$
where
is the surface tension of the pure saturated li5uid for

component and $
is the num#er of moles of component i in the

mi1ture.
part of model
definition
Multiflash
5e<ord Comments
7odel name ST/
/4
8inar interaction parameters
8I*6:":
The .IPDATA command sets the default data#an6 +or correlation- for
#inary interaction parameter data for use #y thermodynamic and?or
transport property models for mi1tures.
.IPDATA )$t$o"rc!1%$m!/ )$t$o"rc!1%$m!5;
8r
.IPDATA )$t$o"rc!1%$m!/;
datasourceXnames may #e two of the following)
datasourceAname Meanin$
OILANDGAS4 latest version of Infochem correlations for ;I%s for
cu#ic eos models +%B& %B<& B(S& B(S<- and L@ST
model for components in oil and gas mi1tures.
Components included are) hydrocar#ons&
petroleum fractions& water& methanol& glycols& A
7
S&
C8
7
& 4
7
& and saltcomponent +for B(S<-
OILANDGAS8 old version of correlations superseded #y
o*l$%)-$4 to ?!r*o% 5.H *% D$%"$r, 5666
+included for #ac6wards compati#ility-.
OILANDGAS5 old version of correlations superseded #y
o*l$%)-$8 in 4ovem#er $22. +included for
#ac6wards compati#ility-
OILANDGAS/ old version of Infochem correlations superseded
#y o*l$%)-$5 in Hune $224 +included for
#ac6wards compati#ility-
OILANDGAS synonym for o*l$%)-$4
INFO.IPS ;I%s data#an6 for :L! with 4BTL and '4I'<C
models and refrigerants.
INFOLL.IPS ;I%s data#an6 for LL! with 4BTL and '4I'<C
models.
PPDS 4!L %%9S2 ;I% data#an6. Be5uires separate licence.
ERASE erases +removes- currently defined datasource
The following e1ample sets up a model called 7B(S that uses the B(S
e5uation of state with the OILANDGAS correlations for ;I%s.
/5
.IPDATA INFO.IPS OILANDGAS;
MODEL MR3S R3S;
8ther #inary interaction parameter data& typically containing usersC
own data& in one of the standard formats may #e specified as follows)
.IPDATA )$t$o"rc!1%$m! f*l!1%$m!;
The )$t$#$%<1t,p!& associated f*l!1%$m! are defined in the
following ta#le.
6ataresourceAname #ileAname >otes
OWNINFO.IPS data#an6 +.#in- file The file must
correspond to the
structure and format
used in 7ultiflash
8I*S'"
The .IPSET command defines an identifier for a collection of ;I%
values and sets the numerical values of the ;I%s. The ;I%s may
su#se5uently #e associated with a mi1ture model for thermodynamic
or transport properties.
.IPSET #*p!t1*) %o1of1#*p T1)!p!%)!%c!
.*p!t1f"%ct*o%1t,p! #*p1"%*t compo%!%t1/
compo%!%t15 #*p1?$l"! ....
The following ta#le gives the valid options and settings)
command
parameter
6escription >otes
#*p!t1*) userDdefined name that will #e used to
refer to the collection of ;I% values
any uni5ue alphanumeric string& eg.
#ipuser
%o1of1#*p the num#er of ;I% values that will #e
defined per #inary pair of components.
The num#er re5uired is modelDdependent
and also depends on whether the ;I%s are
temperatureDdependent
See the information on model
definition for the num#er of ;I%s
re5uired for each model
T1)!p!%)!%c! a 6eyword descri#ing the TDdependence
model used. 7ay #e)
constant
linear
5uadratic
+constant is assumed if omitted-.
The normal function used to descri#e
temperature dependence is)
B=a
0
+a
1
T+a
2
T
2
where ; is the ;I% and T is the
temperature in (
.*p!t1F"%ct*o
%1T,p!
a 6eyword for descri#ing the type of #ip
sets. 7ay #e)
Eo
$ct*?*t,
$oc*$t*o%
Eo for !8S models
$ct*?*t, for activity models
$oc*$t*o% for C%< association
models
.*p1"%*t a 6eyword giving the dimensions of the
;I%s. The availa#le units for ;I%s for
activity models are H?mol& cal?mol& (&
<spen or none +denoting dimensionless-.
The units for eos models are all
dimensionless. For association& the units
are fi1ed as dimensionless& molar energy
and molar heat capacity units
respectively.
The ;I%s may have units depending on
the models specified. If it is omitted&
the ;I%s will #e treated as
dimensionless +or association units-.
/@
compo%!%t1/
compo%!%t15
#*p1?$l"!
component identifiers for the ;I%
;I% values +real num#ers-
These may #e names or serial
num#ers.
the num#er of ;I% values entered
must agree with the num#er specified
a#ove
The component identifiers and ;I%
values may #e repeated as many times
as re5uired to specify all ;I%s
The following e1ample defines a ;I% dataset called WILSON.IP5 and
sets the values of two ;I%s for the component pair methanol and
iso#utene. ;ecause the temperatureDdependence 6eyword is omitted
the parameters are assumed to #e constants.
#*p!t WILSON.IP5 5 co%t$%t $ct*?*t, D=mol m!t&$%ol
*o#"t!%! /./N 5.5;
If #oth .IPSET and .IPDATA are used& then the .IPSET data will #e
used first& then ;I%s will #e ta6en from the defined .IPDATA source
and the remainder will #e set to the default value+s- for the model.
Bemem#er that the user identifier for any defined .IPSET must #e
attached to the definition of the model.
Begarding activity methods& for the dimensionless and <spen units
options note that the actual temperature function #ecomes
b=a
0
+a
1
/ T+a
2
T
as the dimensionless ;I% is actually $9B8.). For the <spen units& the
4BTL parameter is defined as a 5uadratic function of the Celsius
temperature t)
6=a
0
+a
1
t +a
2
t
2
It is possi#le to use the same ;I% set for more than one model&
provided the models use the same num#er of parameters. For
instance if an B(S ;I% set is provided then it could also #e used with
the %engDBo#inson !8S if the values are appropriate.
//
*hase descriptors and stream
tpes
"he *6 command
The PD command is used to define a "hase descri"tor +%9-. The %9 is a
userDdefined name that is used to refer to a phase. It is necessary to
define a %9 for all the phases that you wish 7ultiflash to consider
when doing a flash calculation.. To e1clude the formation of a
particular phase type& eg. gas& the corresponding %9 should #e
omitted or erased. The p&$!)!cr*ptor command is a synonym for
p).
The ma1imum num#er of %9s that may #e defined is currently set at
2,. The ma1imum num#er of phases that can coe1ist at e5uili#rium is
limited to ..
The command for defining a phase has the format)
PD p)1*) p&$!1t,p! mo)!l1*)!%t*f*!r;
<nd the command for deleting an e1isting phase is)
PD p)1*) !r$!;
command
parameter
6escription notes
p)1*) userDdefined name that will #e used
to refer to the particular instance of
phase type and associated models
l*2"*)/
p&$!1t,p! a 6eyword that defines the phase
type& valid settings are)
condensed
gas
hydrate
li5uid
multisolid
solidsolution
vapor
vapour
$. gas& vapor and vapour are
synonyms.
2. condensed means a pure solid
phase.
3. 7ultisolid and solidsolution mean a
mi1ed solid phase.
/0
mo)!l1*)!%t*f*!r identifiers for up to si1 models that
will #e used to evaluate the
thermodynamic and transport
properties of the phase. 7odels for
the following properties may #e
specified in the order given)
$. fugacity +(Dvalues-
2. :olume?density +optional-
3. !nthalpy?entropy +optional-
4. :iscosity +optional-
/. Thermal conductivity +optional-
=. surface tension +optional-
.. 4ucleation model
0. 9iffusivity model
$. the model identifiers are the userD
defined names associated with the
models +see description of MODELS
command-
2. at least one thermodynamic model
must #e defined +the same model is
then used for all thermodynamic
properties-
3. transport property models need only
#e defined if output of these
properties is re5uired
Er$! erases +removes- the %9 from the list
of %9s availa#le for 7ultiflash
$. the pdXid must have #een previously
defined
2. all information associated with the
%9 is lost
"he streamtpe command
The tr!$mt,p! command is used to define a stream t!"e in
association with the phase descriptors +%9s- and components. The
tr!$mt,p! command is a synonym for t.
The command has the format)
ST t1*) compo%!%t comp_1Pcomp_alias_1
comp_2Pcomp_alias_2 J ; p) pd_id_1Ppd_alias_1
pd_id_2Ppd_alias_2 J; ;
In the command there is an endDmar6er for 6eywords compo%!%t
and p)& and the last endDmar6er must #e present for terminating the
tr!$mt,p! command. If no phase descriptors are currently defined
and you try to define a stream type using the command descri#ed
a#ove& you will see an error message on the screen)
000 ERROR 555 000
U%r!co-%*!) !%tr, 9 No p&$! )!cr*ptor of t&* %$m!
&$ #!!% )!f*%!)
The components are identified using either their names or component
num#ers com"-: Z . If the compo%!%t 6eyword is omitted& all
defined components are included in the stream type. For each
component& an alias can #e defined which is the name #y which the
component must #e referred to when the stream type is set to #e the
current operative stream type. The alias can #e omitted for any or all
components& for e1ample)
compo%!%t comp_1 comp_2 J ;
in which case the components will #e referred to #y their normal
names.
The phases are designated #y their phase identifiers "d-id-: Z . If the
p) 6eyword is omitted& all defined phases are included in the stream
type. For each phase& an alias can #e defined which is the name #y
which the phase must #e referred to when the stream type is set to #e
the current operative stream type. The alias can #e omitted for any or
all phases& for e1ample)
p) pd_id_1 pd_id_2 J ;
in which case the phases will #e referred to #y their normal names.
/2
The command to remove a stream type has the format)
ST t1*) !r$!;
command
parameter
6escription >otes
t1*) userDdefined name that will #e used
to refer to a stream type
tr!$m/
compo%!%t 6eyword that defines the
components for a stream type
optional
comp1/ component name or num#er alphanumeric or integer
comp1$l*$1/ userDsupplied component alias
p&$!)!cr*ptor
or p)
6eyword that defines the phase
descriptors for a stream. type
optional
p)1*)1/ phase identifier
p)1$l*$1/ userDsupplied phase alias
Er$! erases +removes- the stream type
from the list of those availa#le for
7ultiflash
$. the t1*) must have #een
previously defined
2. all information associated with the
stream type is lost
"he C'D component command
The 3E4 command is used to associate a ;e! com"onent with a %9. <
6ey component helps to identify a particular phase when two or more
%9s would otherwise #e indistinguisha#le. It is not necessary to
define a 6ey component unless a flash calculation needs to identify
phases uni5uely +eg. a search for a particular phase fraction-. The
command has the format)
3E4 p)1*) <!,1compo%!%t1*);
or)
3E4 p)1*) %ot <!,1compo%!%t1*);
p)1*) is a previouslyDdefined phase descriptor name.
<!,1compo%!%t1*) is the name of the component which is used to
identify the phase.
The rule used is that the 6ey component should #e present in the
phase to the ma1imum amount relative to the total mi1ture comD
position. If the component name is preceded #y the 6eyword %ot &
this means that the component should #e present in the minimum
relative concentration.
Two special name 6eywords are availa#le) LIGHTEST and HEA;IEST.
These 6eywords select the lightest or heaviest component in the
mi1ture as the 6ey component. The criterion used is that the heaviest
component is the one with the largest acentric factor and the lightest
is the one with the smallest acentric factor.
0!
Calculations
Commands for settin$ calculation conditions
State quantities
!ach of the following 6eywords must #e followed with the value of
the 5uantity in the current input units)
5e<ord notes
DENSIT4 used as synonym for volume
ENTHALP4
ENTROP4
INTERNALENERG4 internal energy
PRESSURE
TEMPERATURE
;OLUME
Amounts of components
The AMOUNTS command enters the amounts of each component in the
current input units.
AMOUNTS +1/ +15 +18 ....
3here +1* is the amount of each component entered as a real num#er
+with a decimal point-. The amounts are defined in the order specified
starting with the amount of the first component.
There are two alternative forms of the command.
AMOUNTS compo%!%t1*) +1%
This form defines amounts of components #y name& ie
compo%!%t1*) must #e a valid component name and +1% is the
amount of the component.
AMOUNTS % +1%
This form defines amounts of components #y num#er& ie % must #e
an integer serial num#er and +1% is the amount of the nth
component.
01
T!1AM!%NTS & amounts of components in
second mi)ture for tolerance calculation
The TOLAMOUNTS 6eyword is used to set the amounts of components
in a second mi1ture which is com#ined with the main mi1ture
composition in a tolerance calculation with the FRACTOLERANCE
command. The command has the same format as the AMOUNTS
command e1cept AMOUNTS is replaced #y TOLAMOUNTS.
#hase amounts
The FIOEDPHASE 6eyword is used to set the amount of a particular
phase to search for with the PFRACFLASH& TFRACFLASH& or
FRACTOLERANCE commands. The command has the following format)
FIOEDPHASE p)1*) p&$!1fr$ct*o% ol"t*o%1t,p!
p)1*) is a previouslyDdefined phase descriptor identifier.
p&$!1fr$ct*o% is the molar& mass or volume phase fraction of the
phase to search for. If no 6eyword is specified for phaseXfraction& the
molar phase fraction is used as a default. If a value is provided it
must lie #etween , and $. The default value is ,.
*haseAfraction Comments
molefraction For molar phase fraction
massfraction For mass phase fraction
volumefraction For volume phase fraction
ol"t*o%1t,p! is the type of solution to search for. The following
may #e specified)
solutionAtpe Meanin$
Norm$l default solution type depending on calculation
re5uested
lo'!r %orm$l normal solution at lower T?% +if more than one
e1ists-
"pp!r %orm$l normal solution at higher T?% +if more than one
e1ists-
lo'!r r!tro-r$)! retrograde solution at lower T?% +if more than
one e1ists-
"pp!r r!tro-r$)! Betrograde solution at higher T?% +if more than
one e1ists-
N"cl!$t*o% 4ucleation is for estimating nucleation T?% of
hydrates and ice if the nucleation model is
defined.
U%p!c*f*!) solution closest to the initial estimate of T?%F
The use of unspecified is not usually
recommended. It will find the nearest solution to
the starting point regardless of whether this is
normal or retrograde. Aowever& it may lead to
solutions in comple1 phase diagrams where use
of the other options fail.
It should #e noted that it is not possi#le to guarantee to find a
solution of the type re5uested. The solution type is used to guide the
direction of search.
02
*hase eBuili)rium calculations
7ultiflash can perform multiphase e5uili#rium calculations #etween
any num#er +in principle- of phases of different types. !ach property
of each phase may #e descri#ed #y a different thermodynamic model
if re5uired. The phases that can #e modelled include gases& li5uids&
solids and gas hydrates. The ma1imum num#er of coe1isting phases
at e5uili#rium is currently set at =.
7ultiflash incorporates a phase sta#ility analysis procedure where#y
it can esta#lish automatically which of the possi#le phases are
present at e5uili#rium.
For each phase it is possi#le to display the volume?density& enthalpy&
entropy& internal energy& @i##s energy. heat capacity& speed of sound&
fugacity coefficients and activity coefficients. The following transport
properties are availa#le +for fluid phases-) viscosity& thermal
conductivity and surface tension.
The commands for singleDpoint phase e5uili#rium calculations are
listed in the ta#le #elow.
command tpe of calculation
FRACTOLERANCE tolerance calculation for specified
phase fraction +see p.04-
HSFLASH flash at fi1ed enthalpy +A- and entropy
+S-
P.U.FLASH #u##le point at fi1ed pressure +%-
PDEWFLASH dew point at fi1ed %
PFRACFLASH fi1ed phase fraction flash at fi1ed %
PHFLASH flash at fi1ed % and A.
PSFLASH flash at fi1ed % and S
PTFLASH flash at fi1ed % and temperature +T-
PUFLASH flash at fi1ed % and internal energy +'-
P;FLASH flash at fi1ed % and volume +:.-
S;FLASH Flash at fi1ed entropy S and volume :
T.U.FLASH #u##le point at fi1ed T
TDEWFLASH dew point at fi1ed T.
TFRACFLASH fi1ed phase fraction flash at fi1ed T
THFLASH flash at fi1ed T and A.
TSFLASH flash at fi1ed T and S.
TUFLASH flash at fi1ed T and '
T;FLASH flash at fi1ed T and :
U;FLASH Flash at fi1ed ' and :
#i1ed *hase #raction #lashes
The calculation commands for these flashes are PFRACFLASH and
TFRACFLASH. The specification of a fi1ed phase fraction flash +F%FF- is
more involved than the other flashes. The F%FF is a generalisation of
the dew and #u##le point calculations. !ither the temperature or the
pressure is specified and the calculation searches for a fi1ed +molar-
phase fraction of one of the phases. The F%FF shares many of the
familiar characteristics of the dew and #u##le point calculations& in
particular there may #e more than one solution or no solution at all.
0%
The FIOEDPHASE command defines the characteristics of the fi1ed
phase. It is defined on p.02.
The following e1ample searches for the temperature at which the
phase fraction of the phase with %9 name li5uid$ is ,.2 at $, #ar
pr!"r! /6!5; FIOEDPHASE l*2"*)/ 6.5 %orm$l;
PFRACFLASH;
In some cases the use of FIOEDPHASE can #e avoided eg when the
vapour fraction is either ,., or $.,& #y using one of the following
commands) P.U.FLASH& T.U.FLASH& PDEWFLASH or TDEWFLASH.
"olerance calculations
The FRACTOLERANCE command solves for the amount of a second
stream +composition- that must #e mi1ed with the original stream at
fi1ed pressure and temperature in order to produce a specified
amount of a phase. < typical application would #e to find the
ma1imum amount of water that can #e present in a stream #efore
hydrates will form. The first mi1ture composition is set with the
$mo"%t command as usual. The second mi1ture composition is
specified with the tol$mo"%t command +see p.02-. The f*+!)p&$!
command sets the re5uired phase fraction and type of solution. The
fr$ctol!r$%c! command then com#ines the two mi1tures in
different ratios until the specified condition is met. There may not #e
a solution to the pro#lem specified.
The format of the fr$ctol!r$%c! command is
FRACTOLERANCE;
The following e1ample is a water tolerance calculation that finds the
ma1imum amount of water that can #e present #efore a hydrate
phase forms. It is assumed that the %9 H,)r$t!5 and other relevant
%9s have #een defined. The first stream is defined without water
present and the second stream is pure water. The search is for a "ero
amount of H,)r$t!5.
$mo"%t m!t&$%! .5 #"t$%! .5 '$t!r .6;
tol$mo"%t .6 .6 /.;
t!mp!r$t"r! 556;
pr!"r! /6;
f*+!)p&$! H,)r$t!5 6.6;
fr$ctol!r$%c!;
Matchin$ de< and )u))le points
The MATCH command can #e use to tune petroleum fraction properties
to match a dew point or #u##le point. The command format is
m$tc& )!'po*%t;
or
m$tc& #"##l!po*%t;
the type of solution searched for should #e specified #efore issuing
the m$tc& command #y using the f*+!)p&$! command.
For e1ample& to match an upper retrograde dewpoint the commands
would #e
04
f*+!)p&$! "pp!r r!tro-r$)!;
m$tc& )!'po*%t;
The temperature and pressure to #e matched are ta6en from the
specified input conditions& ie they must have #een set using the
t!mp!r$t"r! and pr!"r! commands.
The alternative way to use the MATCH command which includes the
temperature and pressure is)
m$tc& )!'po*%t /.6 t!mp!r$t"r! +1/ pr!"r! +15;
or
m$tc& #"##l!po*%t /.6 t!mp!r$t"r! +1/ pr!"r! +15;
From 7ultiflash 3.4 onwards& a set of dewpoint data of temperature
and pressure can #e matched simultaneously #y using the following
command.
m$tc& t$#l! )!'po*%t "pp!r r!tro-r$)! t!mp!r$t"r!
+1/ +15 +18 ...;pr!"r! +1/ +15 +18 ...;;;
or
m$tc& t$#l! )!'po*%t %orm$l t!mp!r$t"r! +1/ +15
+18 ...;pr!"r! +1/ +15 +18 ...;;;
From 7ultiflash 3./ onwards& a set of #u##lepoint data of
temperature and pressure with or without @8B at a given temperature
and pressure can #e matched simultaneously. From 7ultiflash 3.2 a
water phase fraction value can #e added to the @8B definition
command. The complete form of the #u##le point matching
command is)
m$tc& t$#l! #"##l!po*%t [sat_ratio] [Basis]
t!mp!r$t"r! +1/ +15 +18 ...;pr!"r! +1/ +15
+18 ...; [GOR GOR_unit GOR_value GOR!"# tvalue
GORpres pvalue [ GOR_$% $%_densit&_unit ldvalue]
['atercut 'cut_value]] ;;
<ll those in #rac6ets are optionalF the detailed descriptions are given
in the following ta#le. Three semicolons are re5uired in the end of the
commands.
Ce<ords 6escription
S$t1r$t*o $., For #u##lepoint
,., for dewpoint
The saturation ratio for the set
of #u##lepoint data.
The 6eyword is optional. If
omitted& the default value is set
to $.,.
#$* 4ormal
'pper
Lower
9efault
Betrograde
unspecified
'sed for specifying the type of
calculations. The 6eyword is
optional. If omitted& the default
setting is 9efault.
GOR @8B < 6eyword for specifying the
@8B matching option.
GOR1"%*t sm3?m3
scf?##l
'nits for @8B
GOR1?$l"! :alue of @8B The value of @8B at a given T
and %.
GORTEMP @8BT!7% < 6eyword for specifying the
temperature for the @8B.
t?$l"! :alue of the
temperature
The temperature at which the
@8B was o#tained.
05
GORPRES @8B%B!S < 6eyword for specifying the
pressure for the @8B
p?$l"! :alue of the pressure The pressure at which the @8B
was o#tained.
GORLD @8BL9 < 6eyword for specifying the
li5uid density at the specified T
and % for @8B. The 6eyword is
optional.
LD1)!%*t,1"%*
t
6g?m3
S@=,F
g?cm3
l#?ft3
'nit for the li5uid density at the
specified T and % for @8B.
l)?$l"! The value of the
li5uid density
The li5uid density at the T and
% specified for the @8B.
W$t!rc"t 3<T!BC'T (eyword to specify that the ne1t
value is a 3ater cut value
Wc"t1?$l"! The value of water
phase fraction
3ater phase fraction at @8B
conditions e1pressed as Nv?v of
li5uid
In 7ultiflash 3.2 the @8B can #e matched alone& if #u##le point data
is not provided in the #u##le point data ta#le. <dditionally water cut
data cannot #e matched without providing @8B data.
The definition of the @8B with unit sm3?m3 is)
#7R=
V
/
( sm
3
)
V
o
(m
3
)
where V
/
is the e1panded volume of the gas stream. It means that
after o#taining the gas stream at the separate condition& the gas
stream is e1panded from the separate condition to the standard
condition& $/ OC and $ #ar.
V
o
is the separated li5uid volume
o#tained at the separate condition.

The definition of the @8B with unit scf?##l is)
#7R=
V
/
( sc' )
V
o
( bbl )
where
V
/
is the e1panded volume of the gas stream. It means that
after o#taining the gas stream at the separate condition& the gas
stream is e1panded from the separate condition to the condition&
=,OF and $ atm.
V
o
is the separated li5uid volume o#tained at the
separate condition.
In 7ultiflash 3..& a command for clearing the storage of the
#u##lepoint?dewpoint is added.
The command for the #u##lepoint ta#le is)
m$tc& t$#l! #"##l!po*%t !r$!;
The command for the dewpoint ta#le is)
m$tc& t$#l! )!'po*%t !r$!;
Matchin$ <a1 data
The 7<TCA command can #e used to match the wa1 data of wa1
precipitation curve or wa1 appearance temperatures #y tuning
0@
melting temperature of petroleum fractions. The command format for
matching the amount of wa1 phase at a T and % to the total fluid is)
m$tc& t$#l! '$+pc o?!r$ll t!mp!r$t"r! +1/ +15
+18 ...;pr!"r! +1/ +15 +18 ...; mol!fr$ct*o% +1/
+15 +18;;;
If the wa1 data are in massfraction& the 6eyword mol!fr$ct*o%
should #e replaced #y m$fr$ct*o%.
(eyword mol!fr$ct*o%s& followed #y mole fractions of the wa1
phase to either the total amount of the fluid or the amount of the
li5uid plus wa1 phase. If the data of the wa1 phase are related to the
total li5uid plus wa1 phase& the 6eyword o?!r$ll should #e replaced
#y l*2"*) in the command.
The units for the temperatures and pressures in the command can #e
set #y using "%*t command shown #elow and have to #e set #efore
using the match command so that the values for the temperature and
pressure are consistent with the units specified.
U%*t t!mp!r$t"r! "%*t1%$m!1t!mp ;
U%*t pr!"r! "%*t1%$m!1pr!;
For the wa1 appearance temperature matching& the fractions for the
wa1 phase at a T and % should #e set to "ero.
Three semicolons are re5uired in the end of the commands.
In 7ultiflash 3..& a command for clearing the storage of the wa1 data
ta#le is added. The command is)
m$tc& t$#l! '$+pc !r$!;
Calculatin$ <a1 appearance temperature
< command can #e used to calculate the wa1 appearance temperature
with either "ero or finite amount of wa1 phase at a given pressure.
W$+$t Pr!"r! P?$l"! T,p!1P!rc!%t W$+l*2p!r
'$+1$mo"%t ;
The 6eyword Pr!"r! is followed #y %value& the value of pressure
at which the wa1 appearance temperature is calculated.
The 6eyword for T,p!1P!rc!%t is either m$p!rc!%t or
mol!p!rc!%t. 3a1Xamount is the percent of the wa1 phase to the
total li5uid plus wa1 phase which is specified as either massN or mole
N #y m$p!rc!%t or mol!p!rc!%t.
Calculatin$ <a1 precipitation curve
< command can #e used to calculate the wa1 precipitation curve up to
the wa1 appearance temperature at a given pressure. The command
format at a given pressure is)
W$+pc P?$l"!;
P?$l"! is the value for the pressure. If %value is omitted& the default
value +e.g. $ #ar- is used to calculate the wa1 precipitation curve.
0/
Matchin$ asphaltene deposition point
The 7<TCA command can #e used to tune asphaltene model
parameters to match the asphaltene deposition point or reservoir
condition or get the default model parameters or match asphaltene
titration. The command format is)
F*+!)p&$! $p&$lt!%! "%p!c*f*!) .6 mol!fr$ct*o%;
m$tc& $p&$lt!%! ADE;
The temperature and pressure to #e matched are ta6en from the
specified input conditions& ie they must have #een set using the
t!mp!r$t"r! and pr!"r! commands.
If the temperature and pressure are not given from the specified
input condition& the alternative way to use the 7<TCA the command
which includes temperature and pressure. The command for
matching one set of <9! is)
m$tc& $p&$lt!%! ADE t!mp!r$t"r! +1/ pr!"r! +15 ;
If two sets of <9!s are availa#le& the command for the matching is)
m$tc& $p&$lt!%! ADE t!mp!r$t"r! +1/ pr!"r! +15
!co%)t!mp!r$t"r! +18 !co%)pr!"r! +14;
The commands for matching reservoir condition or getting the
default model parameters or asphaltene titration are)
m$tc& $p&$lt!%! r!!r?o*r;
or
m$tc& $p&$lt!%! r!!r?o*r t!mp!r$t"r! +1/ pr!"r!
+15;
If neither an asphaltene <9! nor a reservoir condition is availa#le&
the following command will give the default model parameters.
M$tc& $p&$lt!%! )!f$"lt;
In this latest version of 7ultiflash& matching the mass fraction of
heptanes in asphaltene titration under stoc6 tan6 condition is
availa#le. This is an alternative way to tune the asphaltene model
parameters. The command format is)
m$tc& $p&$lt!%! t*tr$t*o% +1/;
The value +1/ is the mass fraction of heptanes re5uired to
precipitate asphaltenes from oils.
asphaltene data is added. The command is)
m$tc& $p&$lt!%! !r$!;
Matchin$ liBuid viscosit
The 7<TCA command can #e used to match the li5uid viscosity at a
given temperature and pressure #y tuning the reference viscosities of
the petroleum fractions. In 7ultiflash 3.2& matching the stoc6 tan6 oil
viscosity option is added. Therefore you can now match either the
total fluid oil viscosity or the stoc6 tan6 oil viscosity at the specified
conditions. The command format for an individual point is)
?*co*t, +1?* t!mp +1t pr! +1p;
m$tc& ?*co*t, l*2"*)/;
00
The viscosity to #e matched at a given temperature and pressure must
have #een set using the commands a#ove.
If the temperature and pressure are not given from the specified
input condition& the alternative way to use the 7<TCA the command
which includes temperature and pressure is)
m$tc& ?*co*t, l*2"*)/ t!mp!r$t"r! +1/ pr!"r! +15
?*co*t*! +18 ;
In 7ultiflash 3.3 onwards& a set of viscosity data may #e matched
simultaneously #y using the following command.
M$tc& t$#l! ?*co*t, l*2"*)/ fl"*)1t,p! t!mp!r$t"r!
+1/ +15 +18 J;pr!"r! +1/ +15 +18 J;?*co*t*! +1/
+15 +18;;;
Fl"*)1t,p! is the 6eyword for either total oil viscosity or stoc6 tan6
oil viscosity& TOTAL for total oil viscosity& STO for stoc6 tan6 oil
viscosity.
In 7ultiflash 3..& a command for clearing the storage of the viscosity
ta#le is added. The command is)
m$tc& t$#l! ?*co*t, !r$!;
Matchin$ densitEvolume
The 7<TCA command can #e used to match the density or volume of
a phase or the total fluid at a given temperature and pressure #y
tuning the volume shift parameters of the petroleum fractions. The
command format for the total fluid is)
M$tc& t$#l! ?ol"m! o?!r$ll t!mp!r$t"r! +1/ +15 +18
J;pr!"r! +1/ +15 +18 J;?ol"m! S?ol1"%*tT +1/ +15
+18;;;
The command format for a phase is)
M$tc& t$#l! ?ol"m! p&$!1%$m! t!mp!r$t"r! +1/ +15
+18 J;pr!"r! +1/ +15 +18 J;?ol"m! S?ol1"%*tT +1/
+15 +18;;;
The p&$!1%$m! * the name of the phase whose volume is to #e
matched. The name of the phase has to #e valid name used #y
7ultiflash.
;ol1"%*t is used to specify the unit for the volume.
density?volume ta#le is added. The command is)
m$tc& t$#l! ?ol"m! !r$!;
*hase envelopes
The phase envelope command generates a series of temperature?
pressure points on a line corresponding to a fi1ed fraction of a
particular phase.
02
Settin+ limits
The limits for the phase envelope calculation are entered using the
!t p&!%? command. The command format is
SET PHEN; MAOPOINTS %1po*%t TMIN t1m*% TMAO t1m$+
PMIN p1m*% PMAO p1m$+;UU
The MAOPOINTS 6eyword sets the ma1imum num#er of points to
calculate to the integer value %1po*%t. If omitted the ma1imum is
set to $,,.
The minimum and ma1imum temperature and pressure limits are set
#y the TMIN& TMAO& PMIN and PMIN 6eywords to the values t1m*%&
t1m$+& p1m*% and p1m$+ values respectively. The units are the current
output units. The limits do not have to #e specified and may #e
omitted or replaced #y a 0
Settin+ the phase boundary to trace
The phase #oundary to #e traced& its phase fraction and the type of
solution that is to #e searched for at the starting point on the phase
#oundary is set using the FIOEDPHASE command. The command is
descri#ed on p.02.
Generatin+ the phase envelope
The ta#le of temperature?pressure points on the phase envelope is
generated using the FB<CPHEN; command. The command format is
FRACPHEN; t1or1p tp?$l"! )*r!ct*o% t$rt*%-1?$l"!;
The t1or1p 6eyword may #e either t!mp!r$t"r! or pr!"r!. It
selects whether the tp?$l"! refers to the initial value of temperature
or pressure on the phase envelope. The units are the current input
units.
D*r!ct*o% may #e either "p or )o'%. It sets the initial direction of
the temperature or pressure along the phase envelope.
If entered the t$rt*%-1?$l"! is used as an initial guess of the
pressure or temperature +whichever has not #een specified- at the
initial point on the phase envelope.
Automatic phase envelope
< simple vapourDli5uid phase envelope can #e generated using the
command
PHEN; $"to;
It is not necessary to set the limits or fi1ed phase information. The
$"to option attempts to find a suita#le phase descriptor for tracing
the vapourDli5uid phase #oundary.
(ontinuin+ a phase envelope
3hen the ma1imum num#er of points has #een reached the
calculation will stop with a warning message. To continue calculating
points on a phase envelope use the command
PHEN; co%t*%"!;
2!
#hase envelope output
The output from the p&!%? command is a ta#le of
temperature?pressure values in the current output units. Critical
points are mar6ed with a C sym#ol. 9iscontinuities on the phase
envelope where phase #oundaries cross are mar6ed with a 9 sym#ol.
#hase boundaries for constant H< S< % and ;
The phase #oundary tracer is e1tended to include the plotting of
constant enthalpy& entropy& volume or internal energy #oundaries.
This will prove useful in situations where you are carrying out
processes on an isenthalpic or isentropic #asis and wish to chec6
whether the A or S #oundary crosses another phase #oundary& for
e1ample a hydrate or pure solid line& where formation of these solids
would cause operational pro#lems.
Aowever& there are some restrictions in plotting A& S& ' or :
#oundaries with the present procedure. The common e1ample is the
vapourDli5uid saturation line for a single component. In these cases it
is necessary to plot the lines in the vapour and li5uid regions
separately. 3e e1pect to enhance the procedure to handle this in the
ne1t release of 7ultiflash.
The command format for constant A)
HPHEN; t1or1p tp?$l"! )*r!ct*o% t$rt*%-1?$l"!;
The command format for constant S)
SPHEN; t1or1p tp?$l"! )*r!ct*o% t$rt*%-1?$l"!;
The command format for constant ')
UPHEN; t1or1p tp?$l"! )*r!ct*o% t$rt*%-1?$l"!;
The command format for constant :)
;PHEN; t1or1p tp?$l"! )*r!ct*o% t$rt*%-1?$l"!;
*ipesim *V" files
%ipesim is a general purpose simulator for modelling fluid flow in oil
and gas wells& flowlines and pipeline systems. It is a product of ;a6er
Hardine I <ssociates Ltd.
7ultiflash can produce a %:T data file for use #y %ipesim. The file
contains all the physical property information re5uired #y %ipesim. It
consists of a series of flash calculations on a grid of pressure and
temperature values. The information stored includes the stream
composition and for each grid point) li5uid volume fraction& watercut
volume fraction& li5uid density& gas density& gas compressi#ility
factor& gas molecular weight& li5uid viscosity& total enthalpy& total
entropy& li5uid heat capacity& gas heat capacity and li5uid surface tenD
sion. For a complete definition of %:T files see the %ipesim
documentation.
;efore generating a %:T file it is necessary to define the components&
compositions& models and phase descriptors. 4ote that models for
viscosity and surface tension must #e defined in addition to the usual
thermodynamic models.
The command to generate a %:T file is)
TA.LE PIPESIM (ile_name
PRESSURES pressure_list;
21
TEMPERATURES temperature_list;
TITLE Lt*tl!1t!+tK ;
where)
(ile_name is the name of the %:T file to #e written. The usual file
e1tension is G.p?tC. If a file name has #een entered previously then
entering 0 means that it should #e reused.
#ressure_list is a list of pressure values at which properties will #e
generated. 4ote that a F is needed to end the list.
emperature_list is a list of temperature values at which properties
will #e generated. 4ote that a F is needed to end the list.
itle_text is the title that is written to the %:T file. It is optional. If
present& it should #e enclosed in 5uotation mar6s. 4o end mar6er is
needed& #ut
< final end mar6er ; is necessary to terminate the complete TA.LE
command.
For e1ample)
TA.LE PIPESIM p*p!5.p?t
PRESSURES /!5> 5!5 /6!5;
TEMPERATURES 856 466 456;
TITLE LR*!r *m"l$t*o%K;
9L?: ta)le $enerator
8lga is a general purpose transient simulator for modelling fluid flow
in flowlines and pipeline systems. It is a product of Scandpower <?S.
7ultiflash version 3.4 onwards can produce a %:T data file for use #y
8lga. The command to generate a %:T data file is)
t$#l! Ol-$ mo)! LF*l!1%$m!K t*tl! (T*tl!1P;TD$t$(
&,)r$t!f*l! LH,)r$t!1f*l!1%$m!K '$+f*l!
LW$+1f*l!1%$m!K pr!"r! +1/ +15 +18 . . .;
t!mp!r$t"r! +1/ +15 +18 . . .;;
mo)! should #e set to either o?!r'r*t! or $pp!%). If set to
o?!r'r*t!& the %:T data file will overwrite the contents of any
e1isting file& #ut& if set to $pp!%)& the new fluid %:T ta#le will #e
added onto the end of the e1isting contents of the file. If mo)! is
omitted it is ta6en #y default to #e o?!r'r*t!.
LF*l!1%$m!K> the file name is used to save the calculated %:T data
from 7ultiflash which should #e 5uoted #y dou#le 5uotes. It can
include the full path where the file is saved.
(T*tl!1P;TD$t$( is used to specify the title of the data& can #e
omitted. If it is specified& it should #e 5uoted #y dou#le 5uotes.
&,)r$t!f*l! is an optional 6eyword to signal that 7ultiflash should
write out an 8lga hydrate file. It is followed #y
LH,)r$t!1f*l!1%$m!K& the name of the file used to save the hydrate
data. LH,)r$t!1f*l!1%$m!K should #e 5uoted #y dou#le 5uotes and
can include the full pathname where the file is saved.
'$+f*l! is an optional 6eyword to signal that 7ultiflash should
write out an 8lga wa1 file. It is followed #y LW$+1f*l!1%$m!K& the
name of the file used to save the wa1 data. LW$+1f*l!1%$m!K should
#e 5uoted #y dou#le 5uotes and can include the full pathname where
the file is saved.
22
pr!"r!& followed #y the values of pressure at which the physical
properties are calculated.
t!mp!r$t"r!& followed #y the values of temperature at which the
physical properties are calculated.
*rosper ta)le $enerator
%rosper is a well performance& design and optimisation program for
modelling the well configurations for the oil and gas industry. It is a
product of the %etroleum !1perts.
7ultiflash 3.2 can produce a %:T data file for use #y %rosper. The
command to generate a %:T data file is)
t$#l! prop!r LF*l!1%$m!K t*tl! (T*tl!1P;TD$t$(
prop!rt*! PRES GOR OF;F O;IS ODEN OCOM GF;F G;IS
EFAC GDEN CGR W;IS WCOM; "%*t t!mp!r$t"r! t!mp1"%*t
pr!"r! pr!1"%*t; t!mp!r$t"r! +1T/ pr!"r!
+1?$l"!1p//> +1?$l"!1p/5> +1?$l"!1p/8J; t!mp!r$t"r!
+1T5 pr!"r! +1?$l"!1p5/> +1?$l"!1p55> +1?$l"!1p58J;
LF*l!1%$m!K> the file name is used to save the calculated %:T data
from 7ultiflash which should #e 5uoted #y dou#le 5uotes. It can
include the full path where the file is saved.
(T*tl!1P;TD$t$( is used to specify the title of the data& can #e
omitted. If it is specified& it should #e 5uoted #y dou#le 5uotes.
prop!rt*! is a 6eyword to signal what properties are re5uired for
the output and should #e ended with a semicolon. The ma1imum
num#er of the properties in the output is $3 #ut the num#er can #e
less. For each property a uni5ue 6eyword should #e used and are
listed as follows.
Ce<ords 6escription
@8B
@8B in unit of scf?s#l
%B!S
The pressure in unit of psi.
8F:F
8il F:F in unit of B;?s#l
8:IS
8il viscosity in unit of c%oise
89!4
8il density in unit of l#?ft3
8C87
8il compressi#ility in unit of $?psi
@F:F
@as F:F in unit of ft3?scf.
@:IS
@as viscosity in unit of c%oise.
VF<C
@as V factor
@9!4
@as density in unit of l#?ft3.
C@B
Beservoir condensateDgas ratio in unit of
##l?77scf.
3:IS
3ater viscosity in unit of c%oise.
3C87
3ater compressi#ility in unit of $?psi.
U%*t are used for specifying the units for #oth temperature and
pressure& followed #y a 6eyword& t!mp!r$t"r! with a unit&
t!mp1"%*t or pr!"r! with a unit& pr!1"%*t. <nd it should #e
ended with a semicolon& F.
t!mp!r$t"r!& followed #y the values of temperature at which the
physical properties are calculated.
2%
pr!"r!& followed #y the values of pressure at which the physical
properties are calculated& should #e finished with a semicolon. For
each isotherm at a temperature& ma1imum of $/ different pressure
values can #e specified.
24
9ther commands
"he "I"L' command
The TITL! command sets a descriptive title. This would typically #e
used to record some details or #ac6ground for the pro#lem
definition stored in a 7ultiflash command file. The title command
has the following format)
t*tl! Lt*tl! t!+tK;
The title te1t up to 2/= characters is stored #y 7ultiflash and can #e
displayed using the &o' t*tl!; command. If the title te1t is split
over several lines each line of te1t must #e enclosed in 5uotation
mar6s as in the following e1ample.
t*tl! Lt*tl! t!+t l*%! /K
Lt*tl! t!+t l*%! 5K
Lt*tl! t!+t l*%! 8K;
Settin$ 'nthalp and 'ntrop )ases
The enthalpy and entropy can #e calculated on different #ases. ;y
default 7ultiflash will calculate the enthalpy and entropy on the
com"ound #asis +see #elow for definition-. For #oth properties It is
also possi#le to use the elements #asis and for the entropy the
standard #asis.
The following command can #e used to set the options re5uired)
D$t"m !%t&$lp, &1#$* !%trop, 1#$*;
where &1#$* is the identifier for the enthalpy #asis and 1#$*
is the identifier for the entropy #asis.
)asis identifier meanin$
compo"%) enthalpy or entropy is set to "ero for each
compound in its perfect gas state at 220.$/( and
$ #ar
!l!m!%t enthalpy or entropy is set to "ero for each
element in its perfect gas state at 220.$/( and $
#ar
t$%)$r) entropy is set to "ero for each compound in the
perfect crystal state at ,(
25
For e1ample& the following command sets the com"ound #asis for
enthalpy and the standard #asis for entropy)
D$t"m !%t&$lp, compo"%) !%trop, t$%)$r);
Commands for chan$in$ units
7ultiflash uses separate sets of units for entering 5uantities +input
units- and for displaying results of calculations +output units-.
The commands for setting units have the following formats)
UNITS prop!rt,1%$m! "%*t1%$m!
INPUTUNITS prop!rt,1%$m! "%*t1%$m!
OUTPUTUNITS prop!rt,1%$m! "%*t1%$m!
UNITS sets #oth input and output units for a property. The following
ta#le lists the property and unit name 6eywords. For some properties&
eg. thermal conductivity& the 6eyword recognised #y 7ultiflash is
different from the property name and is given in parentheses.
*ropert 7nits notes
t!mp!r$t"r! 3
)!-C
)!-F
)!-R
pr!"r! P$
<P$
Mp$
#$r
#$r-
$tm
$tm-
p*
p*-
mmH-
*%'-
$t
$t-
all *alues a$solute exce"t
where indicated
gauge
gauge
gauge
inches water gauge
$mo"%t mol or mol!
<mol
<-
-
l#mol
l#
?ol"m! or
)!%*t,
mol=m8
<-=m8
l#=ft8
l#mol=ft8
mol=cm8
-=cm8
<mol=m8
m8=mol
m8=<-
ft8=l#
ft8=l#mol
cm8=mol
cm8=-
m8=<mol
2@
*ropert 7nits notes
!%t&$lp,
*%t!r%$l !%!r-,
B*%t!r%$l!%!r-,C
G*## !%!r-,
B-*##C
D=mol or <D=<mol
<D=mol or MD=<mol
MD=mol or GD=<mol
<D=<- or D=-
c$l=mol
<c$l=mol
<c$l=l#mol
.TU=l#mol
c$l=- or <c$l=<-
<c$l=l#
.TU=l#
the calorie unit
is the thermoDchemical
calorie defined as 4.$04H
e1actly
!%trop,
&!$t c$p$c*t,
D=mol=3
<D=<mol=3
MD=mol=3
GD=<mol=3
D=<-=3
<D=<-=3
c$l=mol=3
<c$l=l#mol=F
.TU=l#mol=F
<c$l=l#=F
.TU=l#=F
heat capacity units are
always the same as the
entropy units
p!!) of o"%) m= unit setting cannot #e
changed
?*co*t, P$
cP centi%oise
t&!rm$l
co%)"ct*?*t,
Bt&co%)C
W=m=3
<W=m=3
<D=&r=m=3
.TU=&r=ft=F
<c$l=&r=ft=F
c$l==cm=3
<c$l=&r=cm=3
mW=cm=3
W=cm=3
mW=m=3
"rf$c! t!%*o% N=m
mN=m
),%!=cm
D*ff"*?*t,
Co!ff*c*!%t
m5=
cm5=
"he S'" command
The SET command is used to set a num#er of options that control the
operation of 7ultiflash. The command has the format)
SET opt*o%1%$m! opt*o%1!tt*%-
option name operation option settin$s
Amo"%t displays output compositions as
amounts +moles or mass-. See
fractions
Fr$ct*o% displays output compositions as
2/
option name operation option settin$s
moles fractions or mass
fractions. See amounts
D*$-%ot*c ena#les output of diagnosD
tic?de#ugging messages.
Integer in the range Q$ to /
No)*$-%ot*c turns off diagnostics
L*%! num#er of lines of output sent
to screen #efore output is
paused
positive integer +default value is 24-
Nol*%! turns off pause #etween screens
of output
P&!%? sets limits for phase envelope
calculations
see phase envelope section on p.2,
Prompt displays list of
commands?6eywords availa#le
Noprompt turns off display of prompts
P&,prop calculation and display of
physical properties of phases
following e5uili#rium
calculation
The setting may #e made up of a
numeric value followed #y the
characters <& !& F and?or T.
2 phases present& phase
compositions and amounts
$ the a#ove plus)
volume& enthalpy&
entropy& internal
energy& @i##s energy& average
molecular weight +default-
2 adds Cp& Cv& speed of sound
< adds activity coefficients
! adds A?S?@?' relative to
elements in standard states
! adds fugacity coefficients
Transport properties
C adds thermal conductivity&
: adds viscosity
S add surface?interfacial tension
Nop&,prop e5uivalent to level ,
R!pcomp allows the definition of repeated
components& ie. components
with the same name and?or C<B
num#er
Nor!pcomp disallows the definition of
repeated components
St$rt?$l"! 7ultiflash uses the defined
pressure or temperature +if any-
as a starting value for a % or T
search calculation& eg. a
dewpoint calculation
Not$rt?$l"! turns off use of starting values
Str!$mt,p! Set the current stream type for
any flash calculations.
Str!$mt,p!1*)& the stream type
identifier previous defined using
tr!$mt,p! command.
20
"he SF9; and ;RI"' commands
The SHOW command is used to display information a#out the current
pro#lem specification& eg. the components defined& or to redisplay
the results of the last calculation. The command has the format)
SHOW &o'1opt*o%
The following ta#le gives the valid options)
9ption name Information displaed
All"%*t all unit options +see #elow-
Amo"%t Component names& amounts and units +see #elow-
.*p)$t$ ;I% data source
.*p!t ;I% information +see #elow-
.l$c<o*l 9isplays information that defines the ;lac6oil analysis
in the log file.
C&$r)$t$ %etroleum fraction correlations
Compo%!%t Component names +see #elow-
Co%)*t*o% all input conditions
D!%*t, Input value of density?volume
D*$-%ot*c Current output diagnostic level
E%t&$lp, Input value of enthalpy
E%trop, Input value of entropy
F*+!)p&$! Input value of fi1ed phase& fi1ed phase fraction and
solution type
Fr$ct*o% Shows if output compositions set to amounts or
fractions
I%t!r%$l!%!r-, Input value of internal energy
L*%! Current setting of num#er of lines sent to screen #efore
output is paused
Mo)!l 7odel information +see #elow-
Noco!ff 4um#er of coefficients in pure component TDdependent
property correlation +see #elow-
P) %hase descriptor information +see #elow-
P&$!)!cr*ptor %hase descriptor information +see #elow-
P&!%? %hase envelope values) ma1imum and minimum T and
%& ma1imum num#er of points and calculated points on
phase envelope.
P&,prop Current setting of level of display of physical properties
following an e5uili#rium calculation
Pr!"r! Input value of pressure
Pro#l!m 9isplays the 7ultiflash command input corresponding
to the current state of the program
Prompt Shows current setting of prompts or no prompts
P"r!)$t$ Fluid components data#an6
P;T$%$l,* 9isplays information that defines the %:T analysis in
the log file.
P;Tplot 9isplays the e1perimental and calculated data which are
generated #y %:T analysis in the log file.
R!pcomp Shows current setting to allow or disallow repeated
components
R!"lt Besults of last calculation
S!tcompo%!%t The component names of the current stream type
S!tmo)!l The models of the current stream type
22
9ption name Information displaed
St$rt?$l"! Shows current setting whether to use starting values or
no starting values
St 4ames and num#er of stream types currently defined.
T!mp!r$t"r! Input value of temperature
T*tl! descriptive title
Tol$mo"%t Component names& amounts and units of second fluid
for tolerance calculations +see #elow-
U%*t Input and output units +see #elow-
;ol"m! Input value of volume?density
Show allunits
This command displays information a#out the availa#le units options.
It has two forms that display different levels of detail. The first
command format is)
SHOW $ll"%*t;
This command displays a list of all the availa#le units options for all
properties. 4ote that the endDofDcommand ; is re5uired.
The second format is)
SHOW $ll"%*t propert&_name ;
where propert&_name is the 5uantity for which the units options are
re5uired. The following may #e specified)
propertAname Meanin$
$mo"%t Amounts of phases or components
)!%*t, or
?ol"m!
;olume and density
!%t&$lp,
-*## or
*%t!r%$l!%!r-,
Enthalpy< Gibbs ener+y and internal
ener+y
!%trop, Entropy and heat capacity
pr!"r! #ressure
t!mp!r$t"r! Temperature
t&co%) Thermal conductivity
?*co*t, ;iscosity
D*ff"*o% The diffusivity coefficients
Show amounts
This command displays information a#out the current overall
composition. It has two forms that display different levels of detail.
The first command format is)
SHOW $mo"%t;
This command displays a list of all the currently defined components
and their defined 5uantities +moles or mass units-. 4ote that the endD
ofDcommand ; is re5uired.
SHOW $mo"%t component_id ;
1!!
where component_id is the name or num#er of a single component.
This form of the command only displays the defined 5uantity of the
named component.
Show bipsets
This command displays information a#out the ;I% datasets currently
defined. It has two forms that display different levels of detail. The
first command format is)
SHOW #*p!t;
This command displays a list of the current ;I% dataset names
previously defined using the .IPSET command. 4ote that the endDofD
command ; is re5uired.
SHOW #*p!t )ipset_id ;
where )ipset_id is the identifier of a previouslyDdefined ;I% dataset.
This form of the command displays all the ;I% values associated with
a ;I% dataset.
Show chardata
This command displays information a#out the characterisation
method currently in force. The command format is)
SHOW c&$r)$t$;
Show components
This command displays information a#out the components currently
defined. It has four forms that display different levels of detail. The
SHOW compo%!%t;
This command displays a list of the component names currently
defined for 7ultiflash. 4ote that the endDofDcommand ; is re5uired.
SHOW compo%!%t component_id;
where com"onent-id is a component name or serial num#er. This
form of the command displays the particular component name
specified.
The third format is)
SHOW compo%!%t component_id )$t$;
This form of the command displays all the data items for the
component stored #y 7ultiflash. It includes pure component
constants such as critical properties and coefficients in the
correlations for temperatureDdependent pure component properties
such as vapour pressure.
The fourth format is)
SHOW compo%!%t component_id )$t$ data_item;
where data_item is an identifier for the data item re5uired. The
identifiers are defined on pp.$. and $2. This form of the command
displays the re5uested data item for the component.
1!1
For e1ample& &o' compo%!%t / )$t$ tcr*t; will display the
critical temperature for component $.
Show setcomponents
This command displays information a#out the components of the
currently selected stream type. The command format is)
SHOW !tcompo%!%t;
This command displays a list of the component names currently
defined for the stream type selected. 4ote that the endDofDcommand ;
is re5uired.
SHOW !tcompo%!%t component_id;
where com"onent-id is a component name or serial num#er. This
form of the command displays the particular component name
specified.
The third format is)
SHOW !tcompo%!%t component_id )$t$;
This form of the command displays all the data items for the
component stored #y 7ultiflash. It includes pure component
constants such as critical properties and coefficients in the
correlations for temperatureDdependent pure component properties
such as vapour pressure.
Show #;Tanalysis
This command displays information that defines the %:T analysis in
the log file. The format of the output is as follows.
P;TANAL4SISA
METHODA t,p!
MOLECULAR WEIGHTA t&pe_id x_1
SPECIFIC GRA;IT4A t&pe_id x_1
COMPONENTS IN FLUIDA n
%isct_comp_name1 disct_comp_name2 disct_comp_name* ...
CN ... C%M
UNITS FOR TOTAL FLUID AMOUNTSA g
AMOUNTS OF TOTAL FLUID COMPONENTSA n
x_1 x_2 x_* ...
SEPARATIONA met+od
UNITS FOR LOWER .OUNDS OF CUTSA cut_unit
LOWER .OUNDS OF CUTSA n
x_1 x_2 x_* ...
MOLECULAR WEIGHTS OF CUTSA n
x_1 x_2 x_* ...
SPECIFIC GRA;ITIES OF CUTSA n
x_1 x_2 x_* ...
UNITS FOR N9PARAFFIN AMOUNTSA g
AMOUNTS OF N9PARAFFIN IN STOA n
x_1 x_2 x_* ...
UNITS FOR GAS COMPONENTSA mole
AMOUNTS FOR GAS AMOUNTSA n
x_1 x_2 x_* ...
GORA x_1 gor_unit
TOTAL AMOUNT OF RECOM.INED FLUIDA x_1 amounts_unit
NUM.ER OF PSEUDOCOMPONENTS FOR PLUS FRACTIONA n
x_1 x_2 x_* ...
1!2
NUM.ER OF N9PARAFFIN PSEUDOCOMPONENTS FOR PLUS FRACTIONA n
x_1 x_2 x_* ...
START PSEUDOCOMPONENTS AT SCNA n
START N9PARAFFIN PSEUDOCOMPONENTS AT SCNA n
SARA ANAL4SISA 'psat 'paro 'pres 'pasp
SARA ANAL4SIS ESTIMATIONA status
TOTAL WAO CONTENT BUOPCA x_1
TOTAL WAO CONTENT ESTIMATIONA status
WATERCUTA x_1
P;TANAL4SIS is $lways displayed. If no %:Tanalysis command has
#een issued undefined values are left #lan6 +see #elow-.
T4PE is a 6eyword used for specifying the %:T characterisation
method.
MOLECULAR WEIGHT t&pe_id x_1
SPECIFIC GRA;IT4 t&pe_id x_1
%ossi#le values of t&pe_id are FLUID& ST8 or FRACTION. !ach
6eyword is followed #y a real num#er or left #lan6 if undefined.
COMPONENTS IN FLUIDA n
name_x1 name_x2 name_x* ,,, name_xm C- ,,, Cn.
The num#er of the total components in fluids for which names follow
is given #y n. The component names are the discrete components
which may #e any of the components listed in the previous section
and followed #y the range of the petroleum cuts.
UNITS FOR TOTAL FLUID AMOUNTSA amountunit
The amountunit is one of the allowed amount units.
AMOUNTS OF TOTAL FLUID COMPONENTSA n
x_1 x_2 x_* ...
The num#er of the components in total fluids or separator li5uid
stream for which amounts follow is given #y n& which may #e e5ual to
"ero or #e donated #y a star R if its value is not defined. x_1 x_2
x_* etc. are the amounts in the a#ove units. The cuts start at C= and
a real numerical value is provided for each cut amount. There are no
gaps in the cut se5uence.
UNITS FOR N9PARAFFIN AMOUNTS IN STOA amountunit
The amountunit for nDparaffins percent in stoc6 tan6 oil is either
mole or g.
SEPARATIONA met+od
If met+od is given as GC=T.P the analysis has #een determined either
#y gas chromatography +@C- or from a true #oiling point +T;%-
distillation. If met+od is given as D:N& the analysis was determined
using the <ST7 90= procedure.
UNITS FOR LOWER .OUNDS OF CUTSA cut_unit
If the #oundaries are e1pressed as a car#on num#er then cut_unit is
set to c%"m#!r. If the #oundary is e1pressed as the e5uivalent true
#oiling point +T;%-& then cut_unit is set to the temperature unit
used. If the car#onDnum#er lower #ounds of the cuts is not defined&
this section is omitted.
LOWER .OUNDS OF CUTSA n
x_1 x_2 x_* ...
1!%
The num#er of cuts is given #y n& followed #y the values of the lower
car#onDnum#er #oundaries of each cut in the units specified a#ove. If
the #ounds are not defined this section is omitted.
MOLECULAR WEIGHTS OF CUTSA n
x_1 x_2 x_* ...
The num#er of cuts is given #y n& followed #y the values of the
molecular weights of each cut. If the molecular weights are not
defined this section is omitted.
SPECIFIC GRA;ITIES OF CUTSA n
x_1 x_2 x_* ...
The num#er of cuts is given #y n& followed #y the values of the
specific gravities of each cut. If the specific gravities are not defined
this section is omitted.
AMOUNTS OF N9PARAFFIN IN STOA n
x_1 x_2 x_* ...
The num#er of the normal paraffin components in the nDparaffin
distri#ution for which amounts follow is given #y n& which may #e
e5ual to "ero or #e donated #y a star R if its value is not defined. x_1
x_2 x_* etc. are the amounts in the units for the nDparaffins& mole
or g.
For the fractions of nDparaffin in each cut& the 6eywords are different
from those shown a#ove for nDparaffin amounts in ST8. They are
given as follows)
UNITS FOR N9PARAFFIN FRACTIONSA amountunit
The amountunit for nDparaffin fraction in each cut is either
mole or g.
FRACTIONS OF N9PARAFFIN COMPONENTSA n
x_1 x_2 x_* ...
The num#er of the normal paraffin components in the nD
%araffin distri#ution for which amounts follow is given #y n&
which may #e e5ual to "ero or #e donated #y a star R if its
value is not defined. x_1 x_2 x_* etc. are the amounts in
the units for the nDparaffins& mole or g.
The normalDparaffin cuts start at 4= and a real numerical value is
provided for each cut amount. There are no gaps in the cut se5uence.
UNITS FOR GAS AMOUNTSA amountunit
The amountunit is one of the allowed amount units.
AMOUNTS OF GAS COMPONENTSA n
x_1 x_2 x_* ...
The num#er of the components in gas streams for which amounts
follow is given #y n& which may #e e5ual to "ero #e donated #y a start
R if its value is not defined. x_1 x_2 x_* etc. are the amounts in
the a#ove units.
GORA x_1 gor_unit
@as?oil ratio is left #lan6 if undefined. The units can #e m3?m3
+default- or scf?st#.
Total amount +real num#er- in currently defined amount input units.
It is left #lan6 if undefined.
1!4
x_1 x_2 x_* ...
The num#er of pseudocomponets into which the plus fraction is split.
The userDdefined lower car#onDnum#er #oundaries of the
pseudocomponents are given #y . x_1 x_2 x_* etc. If the
#oundaries are not defined& x_1 x_2 x_* etc. are omitted.
x_1 x_2 x_* ...
The num#er of pseudocomponets into which the nDparaffin plus
fraction is split. The userDdefined lower car#onDnum#er #oundaries of
the nDparaffin pseudocomponents are given #y . x_1 x_2 x_* etc.
If the #oundaries are not defined& x_1 x_2 x_* etc. are omitted.
START PSEUDOCOMPONENTS AT SCN NUM.ERA n
Integer values or #lan6 if undefined.
START N9PARAFFIN PSEUDOCOMPONENTS AT SCN NUM.ERA n
3eight percent of saturates& aromatics& resins and asphaltenes.
7issing values are denoted #y R . If all values are undefined they are
left #lan6.
If status is set to !t*m$t!& the amounts of resins and asphaltenes
will #e estimated #y 7ultiflash.. If status is set to %o !t*m$t!& they
will not.
x_1 specifies the wa1 content +'8%- value which is used #y 7ultiflash
to estimate the normal paraffin distri#ution in association with the
Coutinho wa1 model.
If status is set to !t*m$t!& the wa1 content will #e estimated #y
7ultiflash.. If status is set to %o !t*m$t!& it will not.
WATERCUTA x_1
3ater cut is defined as volume fraction of total li5uid. It is left #lan6
if undefined.
Show ,lac'oil
This command displays information that defines the #lac6oil analysis
in the log file. The format of the output is as follows.
GAS ANAL4SISA x_1/ x_2/ x_*/ , . .
STO SPECIFIC GRA;IT4A x_1
GAS GRA;IT4A x_1
SOLUTION GORA x_1
WATSON 39FACTORA x_1
TOTAL AMOUNT OF RECOM.INED FLUIDA x_1
1!5
START PSEUDOCOMPONENTS AT SCNA n
x_1 x_2 x_* ...
START N9PARAFFIN PSEUDOCOMPONENTS AT SCNA n
x_1 x_2 x_* ...
SARA ANAL4SISA x_1/ x_2/ x_*/ x_0
WATERCUTA x_1
.LAC3OIL can $lways #e displayed. If no ;lac6oil analysis command
has #een issued& undefined values are left #lan6 +see #elow-.
GAS ANAL4SISA is left R if undefined.
STO SPECIFIC GRA;IT4A is left #lan6 if undefined.
GAS GRA;IT4A is left #lan6 if undefined.
SOLUTION GORA is left #lan6 if undefined.
WATSON 39FACTORA is left #lan6 if undefined.
Total amount +real num#er- in currently defined amount input units.
It is left #lan6 if undefined.
x_1 x_2 x_* ...
The num#er of pseudocomponets into which the plus fraction is split.
The userDdefined lower car#onDnum#er #oundaries of the
pseudocomponents are given #y . x_1 x_2 x_* etc. If the
#oundaries are not defined& x_1 x_2 x_* etc. are omitted.
x_1 x_2 x_* ...
The num#er of pseudocomponets into which the nDparaffin plus
fraction is split. The userDdefined lower car#onDnum#er #oundaries of
the nDparaffin pseudocomponents are given #y . x_1 x_2 x_* etc.
If the #oundaries are not defined& x_1 x_2 x_* etc. are omitted.
START PSEUDOCOMPONENTS AT SCN NUM.ERA n
START N9PARAFFIN PSEUDOCOMPONENTS AT SCN NUM.ERA n
3eight percent of saturates& aromatics& resins and asphaltenes.
7issing values are denoted #y R . If all values are undefined they are
left #lan6.
If status is set to !t*m$t!& the amounts of resins and asphaltenes
will #e estimated #y 7ultiflash.. If status is set to %o !t*m$t!& they
will not.
1!@
x_1 specifies the wa1 content +'8%- value which is used #y 7ultiflash
to estimate the normal paraffin distri#ution in association with the
Coutinho wa1 model.
If status is set to !t*m$t!& the wa1 content will #e estimated #y
7ultiflash.. If status is set to %o !t*m$t!& it will not.
WATERCUTA x_1
3ater cut is defined as volume fraction of total li5uid. It is left #lan6
if undefined.
Show models
This command displays information a#out the models currently
SHOW mo)!l;
This command displays a list of the current models previously
defined using the MODEL command. 4ote that the endDofDcommand ;
is re5uired.
SHOW mo)!l model_id ;
where model_id is a previouslyDdefined model identifier. This form of
the command displays all the 6eywords that define this particular
model.
Show setmodels
This command displays information a#out the models of the
currently selected stream type. The command format is)
SHOW !tmo)!l;
Show stream types
This command displays information a#out the stream types currently
SHOW t;
This command displays the names and num#er of stream types
previously defined #y using STREAMT4PE command. 4ote that the
endDofDcommand ; is re5uired.
SHOW t streamt&pe_id ;
where streamt&pe_id is a previouslyDdefined stream type identifier.
This form of the command displays the information a#out the stream
name& the components and the phase descriptors for the stream
streamt!"e-id.
1!/
Show nocoeffs
This command displays information a#out the correlations for pure
component temperatureDdependent properties. The command format
is)
SHOW %oco!ff prop!rt,1*) !2%1%o;
prop!rt,1*) is one of the codes for a temperatureDdependent
property defined in %ure component temperatureDdependent
properties on p.$2. The !2"%1%o is the integer e5uation num#er of
the correlating e5uation.
Eg
SHOW %oco!ff cp*)!$l /;
Show pds or show phasedescriptors
This command displays information a#out the phase descriptors
currently defined. It has two forms that display different levels of
detail. The first command format is)
SHOW p);
or)
SHOW p&$!)!cr*ptor;
This command displays a list of the current phase descriptors
previously defined using the PD or PHASEDESCRIPTOR command.
4ote that the endDofDcommand ; is re5uired.
SHOW p) pd_id ;
or)
SHOW p&$!)!cr*ptor pd_id ;
where pd_id is a previouslyDdefined phase descriptor identifier. This
form of the command displays all the 6eywords that define this
particular phase descriptor.
Show tolamounts
This command displays information a#out the current overall
composition for the second fluid used in tolerance calculations. It has
two forms that display different levels of detail. The first command
format is)
SHOW tol$mo"%t;
This command displays a list of all the currently defined components
and their defined 5uantities +moles or mass units-. 4ote that the endD
ofDcommand ; is re5uired.
SHOW tol$mo"%t component_id ;
where component_id is the name or num#er of a single component.
This form of the command only displays the defined 5uantity of the
named component.
1!0
Show units
This command displays information a#out the currently selected
input and output units. It has two forms that display different levels
of detail. The first command format is)
SHOW "%*t;
This command displays a list of the currently selected units for all
properties. 4ote that the endDofDcommand ; is re5uired.
SHOW "%*t propert&_name ;
where propert&_name is the property for which the currently
selected units are re5uired. propert&_name is selected from the same
list as for the command SHOW $ll"%*t.
The -$ITE command
The WRITE command is similar to the SHOW command #ut instead of
displaying the information it is written to a named file. The command
has the format)
WRITE f*l!1%$m! &o'1opt*o%;
The file name must conform to the re5uirements of the computer
operating system in use. The options are the same as for the SHOW
command. The first time a file is named the information is written
starting at the #eginning of the file. 8n su#se5uent WRITE commands
the file name may #e replaced #y 0 +an asteris6- which causes the
information to #e added to the file.
"he LIS" command
The LIST command displays a list of component names from a
data#an6s. It is used to search the data#an6 for particular component
or set of components that match a particular criterion such as a
chemical formula.
The command has the format)
LIST )$t$1o"rc! l*t1opt*o% !$rc&1tr*%-;
The )$t$1o"rc! 6eyword identifies the data#an6 to #e searched. It
may #e omitted or set to one of the following values)
dataAsource Meanin$
p"r!)$t$ search data#an6 previously defined with the
puredata command& ie the data#an6 for
normal compounds.
This is the default if dataXsource is omitted.
The l*t1opt*o% controls the type of search performed as descri#ed
#elow.
1ist allnames
Lists all the compound names in a data#an6. The command format is)
LIST )$t$1o"rc! $ll%$m!;
1!2
For each compound only the main name is shown +see description of
l*t ,%o%,m #elow-. Some data#an6s contain a large num#er of
compounds and this command can produce a great deal of output. It
is not recommended as a means of finding whether a compound is on
a data#an6.
1ist formula
Lists all the compounds that have a specified chemical formula. The
command format is)
LIST )$t$1o"rc! form"l$ (ormula_string;
where (ormula_string is the formula to search for. It must #e
entered as a standard chemical formula with element sym#ols in
upperD and lowerDcase and without parentheses. It is possi#le to
search for compounds containing any +nonD"ero- num#er of atoms of
a particular element #y replacing the num#er with R +asteris6-. The
name shown for each compound is the main data#an6 name.
For e1ample& l*t form"l$ C:H/6 will produce a list of compounds
with 0 car#on atoms and $, hydrogen atoms& whereas& l*t form"l$
C0H0 will produce a list of compounds with any num#er of car#on
and hydrogen atoms.
1ist name
Searches the data#an6 for a particular compound name. The
command format is)
LIST )$t$1o"rc! %$m! name_string ;
where name_string is the name to search for. The name can #e any
of the synonyms in the data#an6 inde1& it does not have to #e a main
name. If the name is found it is displayed& if not found an error
message is displayed.
1ist substrin+
Lists all the compound names that contain a specified te1t string. The
list includes all synonyms& not Eust main names. The command
format is)
LIST )$t$1o"rc! "#tr*%- su)_string ;
where su)_string is the te1t string to search for. The way in which
the su#string is matched in compound names depends on how it is
specified. There are four possi#ilities
sub_string specification :ction
0tr*%-0 finds all names containing
string
0tr*%- finds all names ending in string
tr*%-0 finds all names starting with
string
tr*%- finds a name e1actly matching
string.
+e5uivalent to list name-
For e1ample& l*t "#tr*%- 0m!t&$%!0 finds names containing
GmethaneC& whereas& l*t "#tr*%- m!t&$%!0 finds all names that
start with GmethaneC.
11!
1ist synonyms
Lists all the synonyms for a specified compound name. 7ost of the
compounds stored on a data#an6 can #e identified #y several
alternative names or synonyms. The main name is the first synonym
for a compound and is usually the preferred or GstandardC compound
name for the data#an6. 9ifferent data#an6s may have different
synonyms for the same compound. The command format is)
LIST )$t$1o"rc! ,%o%,m s&non&m_string ;
For e1ample& l*t ,%o%,m #"t$%ol finds all the alternative
names for G#utanolC.
"he R'M9V' command
The REMO;E command is used to remove or undefine all or part of the
current pro#lem specification. The command has the format)
REMO;E r!mo?!1opt*o%;
The following ta#le gives the valid options)
option :ction
$ll removes all data#an6s& components& #ipsets&
models& phase descriptors& and input 5uantities.
The input and output units are redefined to the
initial settings they had following processing of
the mfconfig.dat file.
#*p!t removes all defined #ipsets
compo%!%t removes all components and amounts
mo)!l removes all models
p) removes all phase descriptors
tr!$mt,p! removes all stream types
8ther related commands are)
PUREDATA ERASE;
COMPONENTS comp1%o ERASE;
PETROFRACS comp1%o ERASE;
.IPDATA ERASE;
.IPSET #*p!t1*) ERASE;
MODEL mo)!l1*) ERASE;
PD p)1*) ERASE;
STREAMT4PE tr!$mt,p!1*) ERASE;
"he F'L* command
The HELP command displays information a#out a 7ultiflash error
num#er. The command has the format)
HELP !rror1%"m#!r;
"he I>CL76' command
The INCLUDE command reads in a file of 7ultiflash commands and
processes each command. The command has the format)
INCLUDE f*l!1%$m!;
111
the f*l!1%$m! must #e a valid file access string for the computer
system in use. The command may #e a##reviated to INC . The default
file e1tension is .mfl
"he &7I" command
The GUIT command ends an interactive program session. It has no
effect when the 7ultiflash command processor is used in other
modes.
112
:lpha)etical list of selected
commands
C9MM:>6 *urpose definition
on pa$e
<78'4TS specify or change composition .& 0$
;I%9<T< specify the source data#an6 for #inary interaction
parameters.
/& ./
;I%S!T set #inary interaction parameters. ./
CA<B9<T< Specify petroleum fraction correlations. 2/& $,$
C87%84!4TS specify components. 4& $4
9!4SIT> set the input volume condition for fi1ed volume
calculations.
.& 0$
9<T'7 Set the option for calculation of enthalpy and
entropy.
2/
!4TA<L%> set the input enthalpy condition ie for isenthalpic
flash.
.& 0$
!4TB8%> set the input entropy condition ie for isentropic
flash.
.& 0$
FIU!9%A<S! set phase and amount for a fi1ed phase fraction
calculation.
02
FB<CT8L!B<4C! calculate a flash at fi1ed %& T and fraction of a
specified phase. The calculation finds the amount of a
second stream +entered #y tolamounts- re5uired to
meet the specification.
03& 04
A!L% display information a#out an error num#er 0& $$$
A%A!4: traces a phase envelope line at constant enthalpy 2$
ASFL<SA calculate a flash at fi1ed enthalpy and entropy. 03
I4CL'9! read in a file of 7ultiflash commands 3& $$$
I4AI;IT8B add the content of inhi#itors +methanol& 7!@& 9!@&
T!@ and ethanol-& the salt content of a5ueous streams
to mi1tures.
3/
I4%'T'4ITS change the input units 0& 2/
I4T!B4<L!4!B@> set the input internal energy condition for
calculations at constant internal energy
.& 0$
(!> define the 6ey component for a phase descriptor .& .0
LIST display list of component names in a data#an6 that
match a search criterion
$,2
7<TCA adEusts petroleum fraction properties to match
e1perimental data
03
789!L define a model for a thermodynamic or transport
property of a mi1ture.
/& 30
11%
on pa$e
8'T%'T'4ITS change the output units 0& 2/
%;';FL<SA calculate the #u##le point at fi1ed pressure. 03
%9 set up a phase descriptor for any phase
+a##reviation for %A<S!9!SCBI%T8B-
=& .0
%9!3FL<SA calculate the dew point at fi1ed pressure. 03
%!TB8FB<CS define a petroleum fraction pseudocomponent 2=
%FB<CFL<SA calculate a fi1ed phase fraction flash at a given
pressure
03& 03
%A<S!9!SCBI%T8B set up a phase descriptor for any phase c.f. %9 .0
%A!4: generates a phase envelope at fi1ed phase fraction 02
%B!SS'B! set the pressure .& 0$
%SFL<SA calculate a flash at fi1ed pressure and entropy. 03
%TFL<SA calculate a flash at fi1ed pressure and temperature. 03
%'FL<SA calculate a flash at fi1ed pressure and internal energy. 03
%'B!9<T< specify the data source for pure component data for
components.
4& $3
%:FL<SA calculate a flash at fi1ed pressure and volume. 03
%:T<4<L>SIS <llows the entry of e1perimental %:T analysis data to
specify an input stream.
2.& $,2
'IT end the program. $$2
B!78:! removes +part of- the current pro#lem and allows the
user to specify a new pro#lem
0& $$$
S<LI4IT> converts the measured salt compositions into an
e5uivalent amount of a salt pseudocomponent or ion
ratios for free"ing point depression or hydrate
inhi#ition calculations.
3/
S!T set a configuration option for the program 2.
SA83 display results or other information on the screen. 2& 22
SA%A!4: traces a phase envelope line at constant entropy 2$
STB!<7T>%! 9efine a stream type .2
S:FL<SA Flash at fi1ed entropy and volume 03
T<;L! specify a group of calculations 2$
T;';FL<SA calculate the #u##le point at fi1ed temperature. 03
T9!3FL<SA calculate the dew point at fi1ed temperature. 03
T!7%!B<T'B! set the temperature .& 0$
TFB<CFL<SA calculate a fi1ed phase fraction flash at a given
temperature.
03& 03
TAFL<SA calculate a flash at fi1ed temperature and enthalpy. 03
TITL! store descriptive title 2/
T8L<78'4TS specifies component amounts for a second stream for
use in a tolerance calculation
02
TSFL<SA calculate a flash at fi1ed temperature and entropy. 03
T'FL<SA calculate a flash at fi1ed temperature and internal
energy.
03
T:FL<SA calculate a flash at fi1ed temperature and volume. 03
'4ITS sets #oth input and output units 0& 2/
'%A!4: traces a phase envelope line at constant internal
energy.
2$
':FL<SA calculate a flash at fi1ed internal energy and volume. 03
114
on pa$e
:8L'7! set the input volume condition for fi1ed volume
calculations.
.& 0$
:%A!4: traces a phase envelope line at constant volume. 2$
3<U%C For calculating the wa1 precipitation curve. 0.
3<U<T Calculate the wa1 appearance temperature with "ero
or finite amount of wa1 phase at a given pressure
0.
3BIT! write the most recent results to a file which can then
#e edited.
2& 22
& the comma can #e used is used to separate 6eywords
as an alternative to a space.
F the semicolon is the endDofDcommand mar6er. It
terminates a command or separates multiple
commands.
[ comment character for input files. <ny te1t following
the comments character is disregarded.
\ alternative comment character for input files +see
a#ove-.
115

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Multiflash Command

CPLIGUID li5uid Cp correlation +H?mol (-

CPSOLID solid Cp correlation +H?mol (-

PSAT saturated vapour pressure +%a-

H;AP enthalpy of vaporisation correlation +H?mol-

LDENS saturated li5uid density correlation +mol?m3-

is the mass density and :c

SDENS solid density correlation +mol?m3-

LTHCOND li5uid thermal conductivity correlation +3?m (-

;THCOND vapour thermal conductivity correlation +3?m (-

L;ISC li5uid viscosity correlation +%a s-

;;ISC vapour viscosity correlation +%a s-

STENSION surface tension correlation +4?m-

;IRIALCOEFF second virial coefficient correlation +m3?mol-

DIELECTRIC relative permittivity?dielectric constant correlation

" " "

is the acentric factor and V

is the fugacity coefficient of pure solid component &

is the and pure li5uid viscosity for component and $

are the molecular weight and pure gas viscosity for

is the num#er of moles of component i in the

are the molecular weight and pure saturated li5uid

is the num#er of moles

are the molecular weight and pure gas thermal

is the num#er of moles of

is the parachor for component

is the li5uid mole fraction

is the vapour mole fraction

is the surface tension of the pure saturated li5uid for

is the num#er of moles of component i in the

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