ACM Polymer Simulations With Polymers Plus

Aspen Custom
Modeler 2004.1
Polymer Simulations
with Polymers Plus
Who Should Read this Guide
This guide contains reference information for Polymers Plus, a layered product
of Aspen Custom Modeler.
Polymers Plus provides additional functionality to the properties package,
Properties Plus, enabling polymers to be fully characterized in Aspen Custom
Modeler models.
Who Should Read this Guide 2

Contents
INTRODUCING ASPEN CUSTOM MODELER ....................................................... 6
1 USING POLYMERS PLUS .............................................................................. 7

Open the Polymer Library ..................................................................................... 7
Create Polymer Simulations .................................................................................. 7
Characterize Polymers ......................................................................................... 8
Build Flowsheets using Polymer Library Models ........................................................ 8
Define Polymer Flowsheet Specifications................................................................. 9
Run Polymer Simulations...................................................................................... 9
View Polymer Simulation Results ........................................................................... 9
Characterize Ziegler Natta Applications ..................................................................... 10
2 POLYMER DYNAMIC MODELING REFERENCE ............................................. 11

Polymer Characterization in Aspen Custom Modeler .................................................... 11
Characterizing Polymer Streams.......................................................................... 11
Using Polymer Sets ........................................................................................... 12
Defining Polymer Stream Types ............................................................................... 15
Using Polymer Property Procedures .......................................................................... 16
Aspen Custom Modeler Property Procedures for Polymer Systems ............................ 16
Using Polymer Reaction Kinetics Procedures............................................................... 18
pReactionp Inputs ............................................................................................. 18
pReactionp Outputs ........................................................................................... 19
pReactionpzn Inputs .......................................................................................... 19
pReactionpzn Outputs........................................................................................ 20
Developing Polymer Models ..................................................................................... 20
Using PolymerPort for Polymer Streams................................................................ 21
Calling Polymer Property Procedures .................................................................... 21
Using Polymer Attribute Conservation Equations .................................................... 21
Calling Polymer Kinetic Procedures ...................................................................... 22
3 DYNAMIC POLYMER APPLICATIONS .......................................................... 23

Controllers ............................................................................................................ 23
PIController...................................................................................................... 23
Heaters ................................................................................................................ 25
HeaterP ........................................................................................................... 25
Contents 3
Heater ............................................................................................................. 26
Mixers and Splitters................................................................................................ 26
MixerP ............................................................................................................. 26
MixerSS ........................................................................................................... 28
FSplitP............................................................................................................. 28
FSplit .............................................................................................................. 29
Polymer Procedure Types ........................................................................................ 29
Pact_Coeff_LiqP ................................................................................................ 30
Pcp_Mass_LiqP ................................................................................................. 30
Pdens_Mass_LiqP .............................................................................................. 31
Penth_Mass_LiqP .............................................................................................. 32
PflashP ............................................................................................................ 32
Pflash3P .......................................................................................................... 33
Pfuga_LiqP ....................................................................................................... 34
PkllValuesP....................................................................................................... 35
PkValuesP ........................................................................................................ 36
PMolWeights_Seg.............................................................................................. 36
PMolWeights_Seg Input Variable Types ................................................................ 36
Pvisc_LiqP........................................................................................................ 37
Reactors ............................................................................................................... 37
Overview of Reactors......................................................................................... 37
CSTR2P ........................................................................................................... 38
CSTRP ............................................................................................................. 39
MCSTRP........................................................................................................... 40
Polymer Library Reference....................................................................................... 42
Summary of Polymer Library Models .................................................................... 42
Separators and Flashes........................................................................................... 42
Overview of Separators and Flashes..................................................................... 42
Sep2P ............................................................................................................. 42
Sep2 ............................................................................................................... 43
FlashP ............................................................................................................. 44
FlashSSP.......................................................................................................... 45
FlashSS ........................................................................................................... 46
Stream Types ........................................................................................................ 46
PolymerStream ................................................................................................. 47
MoleToPolymer ................................................................................................. 48
PolymerToMole ................................................................................................. 49
MoleStream...................................................................................................... 49
4 POLYMERS PLUS EXAMPLES ...................................................................... 51

Overview of Examples ............................................................................................ 51
Contents 4
NYLON6 Example Description................................................................................... 51
Setting Up the Interface for the Nylon Example ..................................................... 51
Running the NYLON6 Example............................................................................. 52
Polystyrene Example Description .............................................................................. 52
Setting Up the Interface for the Polystyrene Example ............................................. 52
Running the Polystyrene Example........................................................................ 53
SAN Example Description ........................................................................................ 53
Setting Up the Interface for the SAN Example ....................................................... 53
Running the SAN Example .................................................................................. 54
Polypropylene Example Description........................................................................... 54
Setting Up the Interface for the Polypropylene Example.......................................... 54
Running the Polypropylene Example .................................................................... 55
HDPE Example Description ...................................................................................... 55
Setting Up the Interface for the HDPE Example ..................................................... 56
Running the HDPE Example ................................................................................ 56
GENERAL INFORMATION............................................................................... 57
Copyright.............................................................................................................. 57
Related Documentation........................................................................................... 59
TECHNICAL SUPPORT.................................................................................... 60
Online Technical Support Center .............................................................................. 60
Phone and E-mail................................................................................................... 61
INDEX ........................................................................................................... 62
Contents 5
Introducing Aspen Custom
Modeler
Aspen Custom Modeler (ACM) is an easy-to-use tool for creating, editing and
re-using models of process units. You build simulation applications by
combining these models on a graphical flowsheet. Models can use inheritance
and hierarchy and can be re-used directly or built into libraries for distribution
and use. Dynamic, steady-state, parameter estimation and optimization
simulations are solved in an equation-based manner which provides flexibility
and power.
ACM uses an object-oriented modeling language, editors for icons and tasks,
and Microsoft Visual Basic for scripts. ACM is customizable and has extensive
automation features, making it simple to combine with other products such as
Microsoft Excel and Visual Basic. This allows you to build complete
applications for non-experts to use.
Introducing Aspen Custom Modeler 6

1 Using Polymers Plus
Open the Polymer Library

The polymer library contains all the polymer models and streams. You must
open the library before you can build a polymer flowsheet.
To open the library:
1 From the File menu, click Open Library.
2 Navigate to the delivered library directory at C:\Program
Files\AspenTech\AMSystem 12.1\Lib and select Polymer Library.
Note: You can automatically load the polymer library each time
you start the Aspen Custom Modeler application by using the
Libraries tab on the Settings dialog.
Create Polymer Simulations

The steps for creating and running a polymer simulation are:
1 Make sure you have a complete Aspen Plus / Polymers Plus model, with
results.
2 Open the polymer library if you have not already opened it.
3 Initialize the component properties by supplying a reference to the appdf
file generated by Aspen Plus. You will be prompted to do this when you try
to edit a component list.
4 Create a Component List containing the polymer.
5 Complete the polymer property options that characterize the polymer.
6 Create the flowsheet.
7 Connect the polymer models with polymer streams.
For more information on polymer models and polymer streams, see the
Polymer Library Reference.
8 Define the flowsheet specifications by using the specification form of each
block and feed stream or using Variable Find to provide values for all the
fixed and initial variables.
9 Perform an initialization run, and then perform a steady-state or dynamic
run.
1 Using Polymers Plus 7

10 View the simulation results.
Characterize Polymers
For each component list containing a polymer, you must provide additional
information characterizing the polymer.
To do this:
1 Edit the physical properties options for the component list.
2 Specify the following physical property options:
Option Details
Polymer Name The polymer specified in Aspen Plus /
Polymers Plus file is automatically used in
Aspen Custom Modeler.
Note Only one polymer component is
supported for each flowsheet.
Polymer Attributes You are provided with the list of conserved
polymer attributes specified in the Aspen
Plus / Polymers Plus file. You can select all
of these attributes, or a subset.
Tip Select the class 2 (conserved)
attributes carefully. Minimize these
attributes where possible. For example, do
not include unnecessary higher moments,
or branching moments if they are not part
of the kinetics. This will improve the
performance and convergence of the
Aspen Custom Modeler model.
Polymer Segments You are provided with the list of polymer
segments specified in the Aspen Plus /
Polymers Plus file. You can select all of
these attributes, or a subset.
Build Flowsheets using Polymer

Library Models
To build flowsheets using polymer library models:
1 Place the blocks and streams as usual.
2 For all streams that contain polymers or catalysts (Ziegler Natta
applications) use the stream type PolymerStream.
Because the polymer library models assume vapor streams do not contain
polymer, for all streams that connect vapor products to non-polymer
models, such as those in Aspen Dynamics, use the general stream type,
Connection.
For Use this stream type
All polymer streams PolymerStream
Vapor product streams Connection

Define Polymer Flowsheet
Specifications
To define polymer flowsheet specifications:
1 After you have built the flowsheet, use Variable Find to list all variables
that have the specification Fixed and Initial. Select all of these variables
and create a table.
This provides a list of required input variables for all blocks and streams.
2 Although default values are provided for all variables, you must replace
the default values with correct specification values. These can be pasted
into the table from results cut from the Aspen Plus results tables.
You may change the specification of variables from Fixed or Initial to Free,
so that the overall number of specs for the problem is underspecified. This
enables you to choose different variables to Fixed or Initial.
Alternatively, you may use the Specification form associated with each
block and feed stream to provide the values to the variables or to change
their specs.
Run Polymer Simulations

To run polymer simulations:
1 Specify all of the initial specification values.
2 Perform an initialization run.
3 Perform a steady-state or dynamic run.
Note: Whether your goal is to perform a dynamic simulation

starting from non-steady-state conditions, or to perform a
steady-state run from which you intend to disturb the process,
always specify all of the initial specification values and perform
an initialization run first.
The values you enter for the initial specifications can be steady-state values
taken from the Aspen Plus / Polymers Plus simulation, or non-steady-state
values from the plant or at the start of a batch.
Setting values for all the Initial variables and performing an Initialization run
first is the best convergence strategy to use with Aspen Custom Modeler
because it breaks the equations down into the smallest blocks. For more
information, see How to Access Decomposition Information.
View Polymer Simulation Results

You can view results in two ways:
• View results for blocks and streams.
• View results as flowsheet plots.

Set PolymerStream parameter DerivedAttributes to Yes and PolymerStream
calculates all the derived (class 0) polymer attributes.
Tip: Every block and stream in the Flowsheet has a Results form
for viewing the results.
Characterize Ziegler Natta

Applications
For Ziegler Natta applications, in addition to the standard polymer
characterizations, specify:
Option Details
Catalyst Name The catalyst specified in Aspen Plus / Polymers Plus
file is automatically used in Aspen Custom Modeler.
Note: Only one catalyst component is supported for
each flowsheet.
Catalyst You are provided with the list of conserved catalyst
Attributes attributes specified in the Aspen Plus / Polymers Plus
file. You can select all of these attributes, or a subset.
The number of catalyst sites that were specified for the catalyst in the Aspen
Plus model are automatically used in Aspen Custom Modeler.
To open the Specification form:
1 In the Flowsheet window, click a block or feed stream you would like to
specify and then click the right mouse button.
2 Point to Forms, then click Specification.
3 Use the table to provide your specification.

2 Polymer Dynamic
Modeling Reference
Polymers Plus is a layered product of Aspen Custom Modeler. It provides

additional functionality to the properties package, Properties Plus, enabling
polymers to be fully characterized in Aspen Custom Modeler models.
Polymers Plus functionality is provided through additional procedures that
may be called from models. The polymer components are characterized by
additional stream attributes that are the moments of the polymer distribution.
These attributes are conserved in the Aspen Custom Modeler models using
additional polymer conservation equations in the model.
The additional features that support dynamic polymer modeling are
procedures to:
• Calculate physical properties of polymer solutions.
• Perform flash calculations for polymer systems.
• Determine rates of polymerization reactions.
Polymer characterization is handled locally using additional stream attributes
and conservation equations in the model.
When using Polymers Plus with Aspen Custom Modeler, you also have access
to all of the features of Properties Plus for Aspen Custom Modeler.
Polymer Characterization in
Aspen Custom Modeler
To use polymer characterization in Aspen Custom Modeler, you need to
understand
• Characterizing polymer streams.
• Using polymer sets.
Characterizing Polymer Streams

The component list in a polymer stream includes one or more components
that are polymer components. Aspen Custom Modeler supports only one
polymer component. The molecular weight distribution of the polymer is
2 Polymer Dynamic Modeling Reference 11

described by additional attributes carried in the stream. These attributes are
the moment averages of the molecular weight distribution.
The polymer attributes depend on the polymer application involved. For
example, step growth applications (polyester, nylon) do not support second or
higher moments, and Ziegler Natta applications (HDPE, PP) have multiple
catalyst sites with different polymer growing at different sites. Therefore, it is
necessary to use a polymer stream structure that will serve these different
applications.
The polymer stream structure consists of the usual stream variables (flow,
temperature, pressure, composition, and enthalpy) plus four vectors for
Ziegler-Natta (ZN) applications and two vectors for non-ZN applications.
These six vectors range from one dimension to three dimensions, with each
dimension indexed by a set. For more information on sets, see Using Polymer
Sets.
For non-ZN applications, the four ZN vectors will exist, but the sets and
therefore the vectors will be empty.
Polymer models and streams all use mass basis for their flows, compositions,
holdups, and specific enthalpies. In Aspen Custom Modeler, stream variables
are defined by port types. You can view the port type defining the polymer
stream, PolymerPort, from the explorer.
Using Polymer Sets

As described in Characterizing Polymer Streams, the conserved polymer
attributes are carried in the polymer streams by six vectors. These vectors
are:
Vector Name Description

PolScalar(Atts) Polymer scalar attributes
PolSeg(Segments,SegAtts) Polymer segment attributes
PolSite(Sites,SiteAtts) Polymer site attributes
PolSiteSeg(Segments,Sites, Polymer site segment attributes
SiteSegAtts)
CatScalar(CatAtts) Catalyst scalar attributes
CatSite(Sites,CatSiteAtts) Catalyst site attributes
These are single or multi-dimensional arrays indexed over the sets defining
the attributes, (Atts, SegAtts, SiteAtts, SiteSegAtts, CatAtts and CatSiteAtts)
the set of segments (Segments) and the set of sites (Sites).
Atts Attribute Set

The Atts attribute set is a list of composite polymer conserved attributes that
are scalars, that is, they are not for segments or sites.
The complete list of possible Atts, with the corresponding Aspen Custom
Modeler scaled unit of measurement is:
Attribute Description Units

zmom Zeroth moment mol/kg

smom Second moment kmol/kg
tmom Third moment Mmol/kg
lcb Long chain branches mol/kg
scb Short chain branches mol/kg
lsmom Second moment of live polymer mol/kg
This set of all possible Atts is defined in the polymer library as a global
stringset, AttSet. The set Atts is derived by intersecting the set of attributes
selected on the Properties Options menu, POLY-ATT, with the global set
AttSet. You can find examples of this intersection and how to access POLY-
ATT in all polymer models.
Note: The Atts attribute set is used for free radical and step
growth polymers only . It is not used for Ziegler Natta polymers,
which always require site vectors, in which case Atts is empty.
SegAtts Attribute Set

The SegAtts attribute set is a list of composite polymer conserved attributes
that require a segment identifier, but not a site identifier.
The complete list of all possible SegAtts, with the corresponding Aspen
Custom Modeler scaled unit of measurement is:

sflow Segment flow (first moment) mol/kg
leflow Live end segment flow (zeroth moment) mmol/kg
lsflow Live segment flow (first moment) mmol/kg
This set of all possible SegAtts is defined in the polymer library as a global
stringset, SegAttSet. The set SegAtts is derived by intersecting the set of
attributes selected by the user on the Properties Options menu, POLY-ATT,
with the global set SegAttSet. You can find examples of this intersection and
how to access POLY-ATT in all polymer models.
Note: The SegAtts attribute set is only used for free radical and
step growth polymers. It is not used for Ziegler Natta polymers,
which always require site vectors, in which case SegAtts is
empty.
SiteAtts Attribute Set

The SiteAtts attribute set is a list of site-based polymer
conserved attributes which require a site identifier, but not a segment
identifier. The complete list of possible SiteAtts, with
the corresponding Aspen Custom Modeler scaled unit of measurement is:

Szmom Site-based zeroth moment mol/kg
Ssmom Site-based second moment kmol/kg

Stmom Site-based third moment Mmol/kg
Slcb Site-based long chain branches mol/kg
Sscb Site-based short chain branches mol/kg
Lssmom Site-based second moment of live mol/kg
polymer
This set of all possible SiteAtts is defined in the polymer library as a global
stringset, SiteAttSet. The set SiteAtts is derived by intersecting the set of
attributes selected on the Properties Options menu, POLY-ATT, with the global
set SiteAttSet. You can find examples of this intersection and how to access
POLY-ATT in all polymer models.
Note: The SiteAtts attribute set is used only for Ziegler Natta
polymers, which always require site vectors. It is not used for
free radical and step growth polymers, which cause the SiteAtts
attribute set to be empty.
SiteSegAtts Attribute Set

The SiteSegAtts attribute set is a list of site-based polymer conserved
attributes that require a segment identifier. The complete list of possible
SiteSegAtts, with the corresponding Aspen Custom Modeler scaled unit of
measurement is:

ssflow Site-based segment flow (first moment) mol/kg
lseflow Site-based live end segment flow mmol/kg
(zeroth moment)
lssflow Site-based live segment flow (first mmol/kg
moment)
This set of all possible SiteSegAtts is defined in the polymer library as a global
stringset, SiteSegAttSet. The set SiteSegAtts is derived by intersecting the set
of attributes selected on the Properties Options menu, POLY-ATT, with the
global set SiteSegAttSet. You can find examples of this intersection and how
to access POLY-ATT in all polymer models.
Note: SiteSegAtts is used only for Ziegler Natta polymers, which

always require site vectors. It is not used for free radical and
step growth polymers, which cause the SiteSegAtts attribute set
to be empty.
CatAtts Attribute Set

The CatAtts attribute set is a list of catalyst conserved attributes which are
scalars, that is, they are not for sites. The complete list of all possible CatAtts,
with the corresponding Aspen Custom Modeler scaled unit of measurement is:

cpsflow Flow of catalyst potential sites mmol/kg

cdsflow Flow of catalyst dead sites mmol/kg
This set of all possible CatAtts is defined in the polymer library as a global
stringset, CatAttSet. The set CatAtts is derived by intersecting the set of
catalyst attributes selected on the Properties Options menu, CATA-ATT, with
the global set CatAttSet.
You can find examples of this intersection and how to access CATA-ATT in all
polymer models.
Note: CatAtts is used only for Ziegler Natta polymers, which

always require catalyst state attributes if reactions are occurring.
It is not used for free radical and step growth polymers, which
cause the CatAtts attribute list to be empty.
CatSiteAtts Attribute Set

The CatSiteAtts attribute set is a list of catalyst conserved attributes which
are for sites. The complete list of all possible CatSiteAtts, with the
corresponding Aspen Custom Modeler scaled unit of measurement is:

cvsflow Flow of catalyst vacant sites mmol/kg
cisflow Flow of catalyst inhibited sites mmol/kg
This set of all possible CatSiteAtts is defined in the polymer library as a global
stringset, CatSiteAttSet. The set CatSiteAtts is derived by intersecting the set
of catalyst attributes selected on the Properties Options menu, CATA-ATT,
with the global set CatSiteAttSet. You can find examples of this intersection
and how to access CATA-ATT in all polymer models.
Note: The CatSiteAtts attribute set is used only for Ziegler Natta
polymers, which always require catalyst state attributes if
reactions are occurring. It is not used for free radical and step
growth polymers, which cause the CatSiteAtts attribute set to be
empty.
Defining Polymer Stream Types

Polymer stream variables are created when you place a block on a flowsheet.
(The block is a polymer model instance, and the polymer models contain the
polymer port, PolymerPort, which creates the variables.) When you connect
blocks with streams using the generic stream type, Connection, the stream
variables in each connecting port become equivalenced.
The polymer library stream type, PolymerStream, is a model that provides
alternative specifications and results, without which you would only see the
polymer stream conserved attributes. PolymerStream provides fixed variables
for feed streams, such as ZMOM, SFLOW, SMOM, TMOM, and so on.

PolymerStream also provides polymer result variables when Parameter
DerivedAttributed is set to Yes.
Using Polymer Property

Procedures
This section describes additional features that are provided by Polymers Plus
to support physical property and flash calculations for mixtures containing
polymers. For mixtures that do not contain polymers, you can use Properties
Plus to calculate properties and perform flash calculations.
Polymers Plus contains special property models for calculating the following
properties of polymer solutions:
• Activity coefficients
• Molar volume
• Enthalpy
• Viscosity
Polymers Plus also contains additional procedures to enable phase equilibrium
calculations:
• Kvalues (VLE and LLE)
• Flash (two- and three-phase)
For each existing Properties Plus (non-polymer) procedure, an additional
procedure is provided to calculate the same property or flash for polymer
systems. The name of the polymer procedure is the same as the non-polymer
procedure, but with a "p" at the end.
Aspen Custom Modeler Property

Procedures for Polymer Systems
The procedures available for Polymers Plus are listed in the following table.
For more detailed information on each procedure type, click the following
links.
Procedure Description
Pact_coeff_liqp Liquid molar component activity coefficients
Pcp_mass_liqp Liquid mass specific heat capacity
Pdens_mass_liqp Liquid mass density
Penth_mass_liqp Liquid mass specific enthalpy
Pflashp 2-phase flash
Pflash3p 3-phase flash
Pfuga_liqp Liquid molar component fugacity coefficients
Pkllvaluesp Liquid/liquid mass equilibrium k values
Pkvaluesp Vapor/liquid mass equilibrium k values
Pmolweights_seg Segment molar weights

Pvisc_liqp Liquid viscosity
The main differences between polymer and non-polymer property procedures,

are:
• The polymer characterization information is passed to the polymer
procedure.
• The compositions passed are mass fractions, instead of mole fractions.
(This is for consistency with the polymer characterization methods).
Polymer Characterization Information

The characterization information passed to the polymer procedure, along with
the Aspen Custom Modeler scaled units of measurement, is:
Polymer Characterization Units

Information
Composite polymer zeroth moment mol/(kg of polymer)
Composite polymer segments mol/(kg of polymer)
Composite polymer second moment Kmol/(kg of polymer)
Composite polymer third moment Mmol/( kg of polymer)
You do not need any special polymer procedures for vapor phase properties
because the polymer is assumed to be non-volatile, and therefore will not
exist in the vapor phase. You can use the standard property procedures for
vapor phase properties.
Conversion of Mole Based Properties

Molar properties are based on an apparent molecular weight for polymer
defined in the Aspen Plus input file, not on the true MW of the polymer.
To convert molar properties to a mass basis, the average molecular weight of
the mixture using the constant reference MW for polymer must be used. This
average MW is easily determined by calling the standard non-polymer
molweight procedure, with the liquid mole fraction vector as input. The liquid
mole fractions can be calculated using the following equation:
Where:
Xm = Mass fractions vector
Av = Average MW using constant reference for polymer.
MW This can be calculated using procedure "pmolweight"
X = Mole fractions vector
Mwc = Molecular weights vector with constant reference
value for polymer from procedure PMolWeights
For more detailed information on each polymer procedure type, see Polymer
Procedure Types.

Using Polymer Reaction
Kinetics Procedures
Two reaction procedures are provided:
• pReactionp (for free radical and step growth applications).
• pReactionpzn (for Ziegler Natta applications).
pReactionp Example
call (Ri, RPolScalar, RPolSeg) = pReactionp
(Out_L.T, Out_L.P, Out_L.zm, Out_L.PolScalar, Out_L.Polseg,
reactions)
pReactionpzn Example
call (Ri, RPolSite, RPolSiteSeg, RCatScalar, RCatSite) =
pReactionpzn
(Out_L.T, Out_L.P, Out_L.zm, Out_L.Polsite,
Out_L.PolSiteSeg, Out_L.CatScalar, Out_L.CatSite,
reactions)
The inputs to both procedures are the polymer stream variables and a set of
reaction paragraph identifiers stored in the vector "reactions". The outputs
are the component mass rates and the attribute rates. Click the following
links to display tables that provide details of inputs and outputs, including
units of measurement.
pReactionp Inputs
The inputs for the pReactionp reaction procedure are:
Input Description Attribute Units

T Temperature C
P Pressure bar
Xm(componentlist) Component mass fraction –

array
PolScalar(Atts) Array of scalar attributes "zmom" mol/kg
indexed over the set, Atts, "smom" kmol/kg
which lists the conserved "tmom" Mmol/kg
scalar attributes in your "lcb" mol/kg
application "scb" mol/kg
"lsmom" mol/kg
PolSeg(Segments, Two-dimensional array of "sflow" mol/kg
SegAtts) the segment based "lsflow" mmol/kg
attributes indexed over the "leflow" mmol/kg
list of "Segments" and the
list of segment attributes
conserved in the user's
application.
Reactions([1:NRP]) Array of reaction IDs
indexed over integerset
[1:NRP], where NRP is the

total number of polymer
reactions
pReactionp Outputs
The outputs for the pReactionp reaction procedure are:
Output Description Attribute Units

Ri(componentlist) Rate of reaction of kg/m3/hr
components (-ve means
component is consumed in
reaction)
RPolScalar(Atts) Rate of change of the scalar "zmom" mol/m3/hr
attributes "smom" kmol/m3/hr
"tmom" Mmol/m3/hr
"lcb" mol/m3/hr
"scb" mol/m3/hr
"lsmom" mol/m3/hr
RPolSeg(Segments, Rate of change of the "sflow" mol/m3/hr
SegAtts) segment based attributes "lsflow" mmol/m3/hr
"leflow" mmol/m3/hr
pReactionpzn Inputs
The inputs for the pReactionpzn reaction procedure are:
Input Description Attribute Units

T Temperature C
P Pressure bar
Xm(componentlist) Component mass fraction -

array
PolSite(Sites, SiteAtts) ZN polymer site attributes, "szmom" mol/kg
not including segment based "ssmom" kmol/kg
attributes. The array of "stmom" Mmol/kg
attributes is indexed over two "slcb" mol/kg
sets: the integer set of sites "sscb" mol/kg
[1:nsites] and "SiteAtts", "lssmom" mol/kg
which lists the conserved site
attributes in the user's
application
PolSiteseg(Segments, ZN segment based site "ssflow" mol/kg
Sites,SiteSegAtts) attributes. The array is "lssflow" mmol/kg
indexed over three sets: the "lseflow" mmol/kg
integer set of sites [1:nsites],
the list of "Segments" and the
"SiteSegAtts", which lists the
conserved site segment
attributes in the user's
application
Catscalar(CatAtts) ZN catalyst scalar attributes, "cpsflow" mmol/kg
i.e. those which relate to all "cdsflow" mmol/kg
sites. Indexed over the set
"CatAtts" which is the user's
list of conserved catalyst
scalar attributes.
Catsite(Sites, ZN catalyst site based "cvsflow" mmol/kg

CatSiteAtts) attributes. This is a two- "cisflow" mmlbmol/
dimensional array indexed lb
over the integerset of catalyst
sites, [1:nsites] and
"CatSiteAtts", which is the
user's list of conserved
catalyst site attributes.
Reactions([1:NRP]) Array of reaction IDs indexed
over integerset [1:NRP]
where NRP is the total
number of polymer reactions
pReactionpzn Outputs
The outputs for the pReactionp reaction procedure are:
Output Description Attribut Units

e
Ri(componentlist) Rate of reaction of kg/m3/hr
components (-ve means
component is consumed in
reaction)
RPolSite(Sites,SiteAtt Rate of change of the site "szmom" mol/m3/hr
s) attributes "ssmom" kmol/m3/hr
"stmom" Mmol/m3/hr
"slcb" mol/m3/hr
"sscb" mol/m3/hr
"lssmom" mol/m3/hr
RPolSiteSeg(Segment Rate of change of the "ssflow" mol/m3/hr
s, Sites, SiteSegAtts) segment based attributes "lssflow" mmol/m3/hr
"lseflow" mmol/m3/hr
RCatScalar(CatAtts) Rate of change of the "cpsflow" mmol/m3/hr
catalyst scalar attributes. "cdsflow" mmol/m3/hr
RCatSite(Sites, Rate of change of the "cvsflow" mmol/m3/hr
CatSiteAtts) catalyst site based "cisflow" mmol/m3/hr
attributes.
Developing Polymer Models

The differences between polymer models and non-polymer models are that in
polymer models:
• PolymerPort type is used for polymer streams.
• Polymer property procedures are called for polymer phase mixture.
• Polymer attribute conservation equations are used.
• For reactors, polymer kinetic procedures are called.
This section describes each of these characteristics in detail, enabling you to
develop new polymer models.

Using PolymerPort for Polymer
Streams
For each port in the model which may contain polymer, the port type called
PolymerPort must be used. Ports which will never contain polymer must use
MaterialPort.
PolymerPort contains the polymer attribute vectors and stream variables that
are on a mass basis. This provides meaningful values for polymer mixtures
and input arguments to polymer property and reaction procedures, which are
also mass basis.
MaterialPort contains only the stream variables on a mole basis, consistent
with the non-polymer Properties Plus procedures, which all use mole basis
stream variables for their input arguments.
Calling Polymer Property Procedures

For the polymer phase only, all procedure calls for rigorous physical
properties must use the Polymers Plus version of the property procedure. For
more information on using polymer property procedures, see Using
PolymerPort for Polymer Streams. For details of individual procedures, see the
Polymer Library Reference, Polymer Procedure Types.
The polymer characterization information is passed to the polymer procedure
using the composite moments of the polymer. These input arguments to the
property procedures are fixed, and do not depend upon your choice of
polymer attributes. The polymer attribute stream vectors, which are
dimensioned by sets that depend upon the attributes selected are NOT used
by property procedures. The models must therefore extract these fixed
arguments from the stream vectors. For Ziegler Natta applications, the
models must also sum the site-based moments to give the composite
moments.
To see an example of summing site-based moments, look at the library model
MixerP after the comment:
//
//Calculate composite polymer moments for property calls:
//
Using Polymer Attribute Conservation

Equations
For instantaneous models (for example, valves, heaters, and mixers when
mode is Instantaneous), if there is more than one polymer feed stream, the
polymer feed stream attributes are mixed, and the mixed attributes are
simply equated to the product attributes.
For dynamic models, dynamic equations are written for each polymer
conserved attribute. All the conserved polymer attributes carried in the
polymer streams are per unit mass of polymer or catalyst. The units of

measurement are also scaled to provide numerical stability in Aspen Custom
Modeler. For more information on units of measurement, see Using Polymer
Sets.
For each of the six vectors carrying the polymer attributes in the stream,
there are six dynamic conservation equation loops. The For loops repeat the
equations for each member of the sets dimensioning the vectors. For
example, the Ziegler Natta stream vector, PolSiteSeg(Segments, Sites,
SiteSegAtts), has loops for each of the three dimensions.
If the sets are undefined for some applications, then the equations will not be
created.
To see examples of the conservation and mixing equations, look at the library
model, MixerP. The mixing equations are labeled:
//
// Mix polymer feed stream attributes
//
The dynamic conservation equations are labeled:
//
//Polymer attribute conservations
//
Calling Polymer Kinetic Procedures

The conservation equations for the polymer attributes, and for the component
holdups, each have a reaction rate term. These rates are the output
arguments from the Polymers Plus reaction kinetics procedures. The inputs
are the polymer mixture product stream variables and a vector of reaction
paragraph IDs corresponding to the Aspen Plus input file referenced by the
component list.
To see examples of calls to the kinetic procedures, look at the Polymer library
reactor models, CSTR2P and CSTRP.

3 Dynamic Polymer
Applications
Controllers
PIController
PIController simulates a simple proportional integral controller. It only
performs in Auto mode.
Configuring PIController
Use the Configure form to enter parameters for PIController. The form has
two tabs on which you can configure different aspects of the controller. Each
of these is explained in this topic.
To help you configure the controller, you should ensure that you have
connected the Process Variable (PV) and output (OP) connections, and then
use the Initialize Values button on the Configure form. When you click the
button the current values of the measured variable and manipulated variable
are used to initialize controller parameters as follows:
Parameter Initialized to
Set point Measured Variable
PV range If Measured Variable > 0
minimum 0 If Measured Variable < 0
2 x Measured Variable
PV range If Measured Variable > 0
maximum 2 x Measured variable
If Measured Variable < 0 0
OP range If Manipulated Variable > 0
maximum 0 If Manipulated Variable < 0
2 x Manipulated Variable
OP range If Manipulated Variable > 0
minimum 2 x Manipulated Variable
If Manipulated Variable < 0 0
3 Dynamic Polymer Applications 23

PIController Tuning Tab
The PIController Tuning tab has these configuration parameters:
Parameter Description Units Valid Default

Values Value
SP Operator set – -1E9 -> 50
point 1E9
Gain Gain – -1E9 -> 1
1E9
IntegralTime Integral time hour 1E-9 -> 20
1E9
The sign of Gain determines whether the controller is direct or reverse acting.
This table shows the effects of direct or reverse action:
When the And the Then the The sign of

action is measured manipulated Gain should
variable variable is be
Direct Increases Increased Negative
Direct Decreases Decreased Negative
Reverse Increases Decreased Positive
Reverse Decreases Increased Positive
PIController Ranges Tab

The PIController Ranges tab has these configuration parameters:
Parameter Description Units Valid values Default

Value
Pvmin PV range – -1E9 -> 1E9 0
minimum
Pvmax PV range – -1E9 -> 1E9 100
maximum
Opmin OP range – -1E9 -> 1E9 0
minimum
OPmax OP range – -1E9 -> 1E9 100
maximum
Note: The PIController does not clip PV between PVmin and

PVmax. Its output (OP), however, is always clipped between
OPmin and OPmax.
PIController Algorithm
The equation used to determine the PIController output (OP) is :
Where:
E = set point - process variable

The PIController FacePlate
The PIController includes a faceplate that you can use to interact with the
controller during a simulation. It is similar to that of PID controller in the
Modeler library.
Heaters
This section contains information on the polymer and non-polymer models for
heaters in the polymer library:
• HeaterP
• Heater
HeaterP
HeaterP has no dynamic features and can be used to represent polymer
heaters (positive Q) or coolers (negative Q). Pumps and valves can also be
modeled with HeaterP by specifying a positive or negative Delta_P,
respectively.. The duty is specified directly. Controller connections are
provided for a temperature controller. If the HeaterP product is known to be
single-phase, use parameter ValidPhases to improve convergence and
performance.
HeaterP Usage Notes

Connect all feed and products using stream type PolymerStream and provide
appropriate stream specifications if it is a feed stream.
Provide appropriate values for all the model parameters:
Parameter Description Default value

ValidPhases "Liquid" or "Vapor-Liquid" "Vapor-Liquid"
Replace the default values for all the fixed variables:
Variable Description Units

Delta_P Specified pressure change bar
Q Heating (+) or cooling (-) GJ/hr
duty
Perform the run in any mode.

Two forms are available to enable you to specify the operating conditions and
view the results.
• Specification - where you can specify the fixed variables and the
parameters.
• Results - where you can view heater variables such as temperature,
pressure drop, heat duty, and mass specific enthalpy.

Heater
This section contains details of the polymer library heater model Heater.
Heater has no dynamic features and can be used to represent heaters
(positive Q) or coolers (negative Q) for a non-polymer stream. Pumps and
valves can also be modeled by specifying a positive or negative Delta_P,
respectively. The duty is specified directly. Controller connections are
provided for a temperature controller. If the Heater product is known to be
single-phase, use parameter ValidPhases to improve convergence and
performance.
Heater Usage Notes

Connect all feed and products using stream type MoleStream and provide

ValidPhases "Vapor", "Liquid" or "Vapor- "Vapor-Liquid"
Liquid"

Delta_P Specified pressure change Bar
Q Heating (+) or cooling (-) GJ/hr
duty

view the results.
• Specification - where you can specify the fixed variables and the
parameters.
• Results - where you can view the heater variables such as temperature,
pressure drop, heat duty, and molar specific enthalpy.
Mixers and Splitters

Click the following links to display information on the dynamic polymer
models for mixers and splitters:
• MixerP
• MixerSS
• FsplitP
• Fsplit
MixerP
Use MixerP to represent:

• An instantaneous polymer mixer, such as a mixing tee.
• A dynamic polymer mixer, such as a mixing tank.
MixerP can have any number of feed streams and one product stream. The
mode can be Instantaneous or Dynamic. The dynamic mode assumes a
vertical vessel with flat ends and liquid only. To model a two-phase tank,
couple the Instantaneous mixer to a polymer FlashP model.
If only a single material inlet is connected and the mode is dynamic, MixerP
can represent either a polymer buffer tank or a polymer surge tank. A
connection is provided for a level controller.
The parameter Pdriven sets all feed stream pressures equal and related to the
outlet pressure through variable Delta_P. If the mixer product is known to be
single-phase, use the parameter ValidPhases to improve convergence and
performance.
appropriate stream specifications for feed streams.

Mode Instantaneous or dynamic Instantaneous
Mixer model
Pdriven Model is pressure driven False

If mode is Instantaneous:

Delta_P Specified pressure change bar(abs)
If mode is Dynamic:

Area_ Cross sectional area m2
Lm_out Liquid stream product rate kg/hr
You can manipulate these variables using a controller. If a controller is used,

the variables are automatically set to Free.
In steady state, no special initialization strategy is required. To initialize the
reactor in dynamic mode, whether the initial conditions are steady-state or
dynamic, always provide reasonable values for the initial variables:

Level Liquid level m
T Mixer temperature C
Out_P.zm Massfractions of all kg/kg
(componentlist- components except the
polymer) polymer
zmom, sflow, etc. Polymer extensive moments kmol/hr

from Aspen Plus results
Perform an initialization run first, followed by a steady-state or dynamic run.

view the results.
• Specification - where you can specify the fixed and initial variables for the
mixer and the parameters.
• Results - where you can view the mixer variables such as outlet stream
temperature, pressure, mass total flow rate, and mass specific enthalpy.
MixerSS
Use MixerSS to represent an instantaneous non-polymer mixer. MixerSS can
have any number of feed streams and one product stream.
MixerSS Usage Notes


Pdriven Model is pressure driven False
ValidPhases "Liquid", "Vapor-Liquid", or "Vapor-Liquid"
vapor-only

view the results.
• Specification - where you can specify the fixed and initial variables and the
parameters.
• Results - where you can view the mixer variables such as outlet stream
temperature, pressure, total mole flow rate, and molar specific enthalpy.
FSplitP
FSplitP divides a single polymer feed stream into two or more polymer
product streams. All outlets have the same composition and properties as the
inlet.
FSplitP is used to model a flow splitter such as a bleed valve.
The FSplitP model has no dynamic features.
FsplitP Usage Notes

appropriate stream specifications if it is a feed stream. For each of the

product streams, provide a split fraction. The split fractions are normalized
and may therefore represent the product stream split fractions or estimated
absolute flows.

SplitFractions Vector of split fractions, one –
for each product stream

The Specification form is available to enable you to specify the split factors.
FSplit
FSplit divides a single non-polymer feed stream into two or more non-polymer
product streams. All outlets have the same composition and properties as the
inlet.
FSplit is used to model a flow splitter such as a bleed valve.
The FSplit model has no dynamic features.
Fsplit Usage Notes

appropriate specifications if it is a feed stream. For each of the product
streams, provide a split fraction. The split fractions are normalized and may
therefore represent the product stream split fractions or estimated absolute
flows.

SplitFractions Vector of split fractions, one –
for each product stream

The Specification form is available to enable you to specify the split factors.
Polymer Procedure Types

This section describes the input and output arguments for each of the Aspen
Custom Modeler polymer property and flash procedures.
The following table display details of each procedure type:
Procedure Description
Pact_Coeff_LiqP Liquid molar component activity coefficients
Pcp_Mass_LiqP Liquid mass specific heat capacity
Pdens_Mass_LiqP Liquid mass density
Penth_Mass_LiqP Liquid mass specific enthalpy

PflashP Two-phase flash
Pflash3P Three-phase flash
Pfuga_LiqP Liquid molar component fugacity coefficients
PkllValuesP Liquid/liquid mass equilibrium k values
PkValuesP Vapor/liquid mass equilibrium k values
Pmolweights_seg Segment molar weights
Pvisc_LiqP Liquid viscosity
Pact_Coeff_LiqP
Pact_Coeff_LiqP is a procedure that calculates the polymer mixture molar
component activity coefficients.
Pact_Coeff_LiqP Input Variable Types

The input variable types for Pact_Coeff_LiqP are:
Description Variable Type Base

Units
Stream temperature Temperature C
Stream pressure Pressure bar
Component Massfraction(*) –
massfractions
Zeroth moment Zmom_mass mol/kg
Segment first Seg_mass(*) mol/kg
moments
Second moment Smom_mass kmol/kg
Third moment Tmom_mass Mmol/kg
The output variable types for Pact_Coeff_LiqP are:

Units
Component molar act act_coeff_liq(*) –
coeffs
The following is an example of using the Pact_Coeff_LiqP polymer procedure

type:
call (gamma) = Pact_coeff_liqp (Out_L.T, Out_L.P, Out_L.zm,

zmom, sflow, smom, tmom)
Pcp_Mass_LiqP
Pcp_Mass_LiqP is a procedure that calculates the polymer mixture mass
specific heat capacity.
Pcp_Mass_LiqP Input Variable Types

The input variable types for Pcp_Mass_LiqP are:

Units
Stream pressure Pressure Bar
massfractions
moments
The output variable types for Pcp_Mass_LiqP are:

Units
Liquid mass specific Cp_mass_liq KJ/kg.K
enthalpy
The following is an example of using the Pcp_Mass_LiqP polymer procedure

type:
call (Cp) = Pcp_mass_liqp (Out_L.T, Out_L.P, Out_L.zm,
Pdens_Mass_LiqP
Pdens_Mass_LiqP is a procedure that calculates the polymer mixture mass
density.
Pdens_Mass_LiqP Input Variable Types

The input variable types for Pdens_Mass_LiqP are:

Units
component Massfraction(*) –
massfractions
moments
The output variable types for Pdens_Mass_LiqP are:

Units
Liquid mass based Dens_mass_liq kg/m3
density

The following is an example of using the Pdens_Mass_LiqP polymer procedure
type:
call (Rhoml) = Pdens_mass_liqp(Out_L.T, Out_L.P, Out_L.zm,

Penth_Mass_LiqP
Penth_Mass_LiqP is a procedure that calculates the polymer mixture mass
specific enthalpy.
Penth_Mass_LiqP Input Variable Types

The input variable types for Penth_Mass_LiqP are:

Units
massfractions
moments
The output variable types for Penth_Mass_LiqP are:

Units
Liquid mass based enth_mass_liq MJ/kg
specific enthalpy
The following is an example of using the Penth_Mass_LiqP polymer procedure

type:
call (hml) = Penth_mass_liqp(Out_L.T, Out_L.P, Out_L.zm,
PflashP
PflashP is a procedure that performs a two-phase flash on the polymer
mixture.
PflashP Input Variable Types

The input variable types for PflashP are:

Units

massfractions
moments
The output variable types for PflashP are:

Units
Vapor component Massfraction(*) –
mass fractions
Liquid component Massfraction(*) –
mass fractions
Mass vapor fraction Vapmassfraction –
Vapor mass specific Enth_mass_vap MJ/kg
enthalpy
Liquid mass specific Enth_mass_liq MJ/kg
enthalpy
The following is an example of using the PflashP polymer procedure type:

call (ym, xm, vf, hmv, hml)= Pflashp
(In_F.T, In_F.P, In_F.zm, zmom, sflow,
smom, tmom)
Pflash3P
Pflash3P is a procedure that performs a three-phase flash on the polymer
mixture.
Pflash3P Input Variable Types

The input variable types for Pflash3P are:

Units
Component mass Massfraction(*) –
fractions
moments
The output variable types for Pflash3P are:

U it

Units
mass fractions
Liquid 1 component Massfraction(*) –
mass fractions
massfractions
Mass vapor fraction Vapmassfraction –
Liquid 1 mass fraction Liqmassfraction –
Vapor mass specific Enth_mass_vap MJ/kg
enthalpy
Liquid 1 mass specific Enth_mass_liq MJ/kg
enthalpy
Liquid 2 mass specific Enth_mass_liq MJ/kg
enthalpy
Note: Liquid 1 massfraction is the mass fraction of liquid phase 1

to the total mass of the vapor, liquid 1 and liquid 2, that is,
L1/(L1+L2+V).
Pflash3P Example
The following is an example of using the Pflash3P polymer procedure type:
call (ym, xm, xm2, vf, lf1, hmv, hml1, hml2)= Pflash3p
(In_F.T, In_F.P, In_F.zm, zmom, sflow, smom, tmom)
Pfuga_LiqP
Pfuga_LiqP is a procedure that calculates the polymer mixture molar
component fugacity coefficients.
The input variable types for Pfuga_LiqP are:

Units
massfractions
moments
The output variable types for Pfuga_LiqP are:

Units
Liquid molar Fuga_liq(*) –

component fugacity
coefficient
The following is an example of using the Pfuga_LiqP polymer procedure type:

call (Fi) = Pfuga_liqp(Out_L.T, Out_L.P, Out_L.zm, zmom,
sflow, smom, tmom)
PkllValuesP
PkllValuesP is a procedure that calculates the liquid/liquid mass equilibrium k
values. It can be used, together with phase equilibria equations, to perform a
liquid-liquid flash in an Aspen Custom Modeler model.
PkllValuesP Input Variable Types

The input variable types for PkllValuesP are:

Units
Liquid 1component Massfraction(*) –
massfractions
moments
massfractions
The output variable types for PkllValuesP are:

Units
Mass component liq-liq K_value(*) –
kvalues
Note: The liquid-liquid kvalues, K2 are defined as follows:

Polymers Plus calculates the distribution of polymer in the two
liquid phases, but it will not fractionate the molecular weight
distribution.
PkllValuesP Example
The following is an example of using the PkllValuesP polymer procedure type:
call (k2)= Pkllvaluesp (Out_L.T, Out_L.P, xm1, zmom, sflow,

smom, tmom, xm2)

PkValuesP
PkValuesP is a procedure that calculates the vapor/liquid mass equilibrium k
values. It can be used, together with phase equilibria equations, to perform a
vapor-liquid flash in an Aspen Custom Modeler model.
PkValuesP Input Variable Types

The input variable types for PkValuesP are:

Units
mass fractions
moments
massfractions
The output variable types for PkValuesP are:

Units
Mass component vap- K_value(*) –
liq kvalues
The following is an example of using the PkValuesP polymer procedure type:

call (k) = Pkvaluesp (Out_L.T, Out_L.P, xm, zmom, sflow,
smom, tmom, ym)
PMolWeights_Seg
PMolWeights_Seg is a procedure that accesses the segment molar weights of
all the segments defining the polymer.
PMolWeights_Seg Input Variable

Types
There are no input arguments for PMolWeights_Seg.
PMolWeights_Seg Output Variable Types

The output variable types for PMolWeights_Seg are:

U it

Units
Individual segment Molweight(*) kg/kmol
molar weights
The following is an example of using the PMolWeights_Seg procedure type:
call (Mw_segs) = PMolWeights_Seg () ;
Pvisc_LiqP
Pvisc_LiqP is a procedure that calculates the polymer mixture viscosity.
Pvisc_LiqP Input Variable Types

The input variable types for Pvisc_LiqP are:

Units
Stream pressure Pressure Bar
mass fractions
Zeroth moment Zmom_mass Mol/kg
Segment first Seg_mass(*) Mol/kg
moments
Second moment Smom_mass Kmol/kg
The output variable types for Pvisc_LiqP are:

Units
Liquid viscosity Visc_liq Cp
The following is an example of using the Pvisc_LiqP polymer procedure type:
call (mu) = Pvisc_liqp (Out_L.T, Out_L.P, xm, zmom, sflow,

smom, tmom)
Reactors
Overview of Reactors
Click the following links to display information on the dynamic polymer
models for reactors:
• CSTR2P
• CSTRP
• MCSTRP

CSTR2P
CSTR2P is a dynamic, two-phase, stirred tank reactor with one feed stream
(for multiple feeds, use MixerP with mode Instantaneous), one vapor product
stream and one liquid product stream.
Connections are provided to enable you to connect temperature, level, and
pressure controllers. The heating/cooling duty for the reactor is specified
directly.
The model assumes perfect mixing and a vertical vessel with flat ends. The
vapor phase is a simple holdup of components in the vapor and a material
balance for each component. The liquid/slurry phase is a holdup with material
and energy balances. The reactor feed is considered to be perfectly mixed
with the liquid phase.
The reaction rates are determined by calling Polymers Plus reaction kinetics
models. You can reference any number of reaction paragraphs that have
previously been defined in the Polymers Plus input. The rates from each of
these reaction models are summed to give the overall rates for the reactor.
The model comprises dynamic mass and energy balances, as well as balances
for the polymer attributes. Terms are included to account for the reaction.
CSTR2P Usage Notes

Connect the feed and liquid product using stream type PolymerStream and
connect the vapor product using MoleStream. Provide appropriate stream
specifications if it is a feed stream.
Parameter Description Default

value
NRP Number of reaction para IDs 1
reactions(NRP) Reaction paragraph IDs
If there is more than one polymer kinetics paragraph, enter the number of
paragraphs in NRP, and the name in each element of the reactions vector.

V Total vessel volume m3
Vm_out Vapor product rate kg/hr
Q Heating or cooling duty GJ/hr

To initialize the reactor, whether the initial conditions are steady state or

T Reactor temperature C
Out_V.T Vapor phase temperature C
P Reactor pressure bar
level Liquid Level m
Out_L.Zm Liquid massfractions of all components kg/kg
(componentlist- except the polymer.
polymer)
ym_out Vapor massfractions of all components kg/kg
(componentlist- except the polymer.
polymer)
zmom, sflow, etc. Polymer extensive moments from kmol/hr
Aspen Plus results

Two forms are available to enable you to specify the operating conditions or
view the results.
• Specification - where you can specify the fixed and initial variables. You
can also use this form to provide the number of reaction paragraphs and
their names.
• Results - where you can view reactor variables such as temperature,
pressure, heat duty, volumes of liquid and vapor phases, and liquid and
vapor mass flow rates.
CSTRP
CSTRP is a dynamic, liquid phase, stirred tank reactor with one feed stream
(for multiple feeds, use MixerP with mode Instantaneous), and one liquid
product stream.
Connections are provided to enable you to connect temperature and level
controllers. The heating/cooling duty for the reactor is specified directly.
The model assumes perfect mixing. The model assumes a vertical vessel with
flat ends.
The reaction rates are determined by calling Polymers Plus. You can reference
any number of reaction paragraphs that have previously been defined in the
Polymers Plus input. The rates from each of these reactions are summed to
give the overall rates for the reactor.
for the polymer attributes. Terms are included to account for the reaction.
appropriate stream specifications if it is a feed stream

value
NRP Number of reaction para IDs 1
Reactions(NRP) Reaction paragraph IDs


P Reactor pressure bar(abs)

To initialize the reactor, whether the initial conditions are steady-state or

Level Liquid Level m
Out_P.Zm Massfractions of all components except kg/kg
(componentlist- the polymer.
polymer)
zmom, sflow, etc. Polymer extensive moments from kmol/hr
Aspen Plus results
Perform an initialization run first, followed by a steady state or dynamic run.

view the results.
• Specification - allows you to specify the fixed and initial variables. You can
also use this form to provide the number of reaction paragraphs and their
names.
• Results - allows you to view the reactor variables such as temperature,
pressure, heat duty, volumes and mass flow rates.
MCSTRP
This section contains details of the polymer library reactor model MCSTRP.
MCSTRP is a dynamic multistage liquid-phase reactor with one feed stream
(for multiple feeds, use MixerP with mode Instantaneous), and one liquid
product stream. It may be used to simulate a plug flow reactor or a stirred
tank reactor with multiple mixing zones.
The temperature and liquid level in each stage are specified directly.
The model assumes perfect mixing and a vertical vessel with flat ends in each
stage.
The reaction rates are determined in each stage by calling Polymers Plus
reaction models. You can reference any number of reaction paragraphs that
have previously been defined in the Polymers Plus input. The rates from each
of these reaction models are summed to give the overall rates for the reactor.

for the polymer attributes in each stage. Terms are included to account for
the reaction in each stage.

value
NRP Number of reaction paragraph 1
IDs
Reactions(NRP) Reaction paragraph IDs
NStage Number of stages 3

Stage(I).P Reactor pressure in stage I bar(abs)
Stage(I).T Reactor temperature in stage I C
Stage(I).Level Liquid Level in stage I M
To initialize the reactor, whether the initial conditions are steady-state or


Stage(*).Q Heating or cooling duty in stage I GJ/hr
Stage(*).Lm_out Liquid stream product rate in stage I Kg/hr
Stage(I).Out_P.Z Massfractions of all components kg/kg
m(componentlist- except the polymer in stage I
polymer)
Stage(I).zmom, Polymer extensive moments from kmol/hr
Stage(I).sflow, Aspen Plus results in stage I
etc.
Perform an initialization run first, followed by a steady state or dynamic run.

view the results.
• Specification - allows you to specify the fixed and initial variables. You can
also use this form to provide the number of reaction paragraphs and their
names.
• Results - allows you to view the reactor variables such as temperature,
pressure, heat duty, volumes and mass flow rates.

Polymer Library Reference
Summary of Polymer Library Models
The polymer library for Aspen Custom Modeler 12 includes the building blocks
for most polymer processes. The library consists of CSTR reactors; mixers
and splitters; heaters; separators and flashes. The models can be used to
represent the polymer reaction and devolatilization sections of most polymer
processes. The models may be connected to other Aspen Custom Modeler
models, such as column models, to represent the entire recovery and feed
preparation sections.
The models are open and may be copied and customized to provide additional
details or to closely match plant observations.
For more information on the polymer library models, click the following links:
• Reactors
• Mixers and splitters
• Heaters
• Separators and flashes
• Controllers
The polymer library also includes:
• Streams
• Procedures
Separators and Flashes

Overview of Separators and Flashes
Click the following links to display information on the polymer and non-
polymer models for separators and flashes in the polymer library:
• Sep2P
• Sep2
• FlashP
• FlashSSP
• FlashSS
Sep2P
Sep2P is a steady-state polymer component splitter model which splits a
single polymer stream into two streams, both of type PolymerStream. The
model can be used to represent component separation operations such as
distillation and extraction when the details of the separation are unknown or
unimportant.

The bottom product will always contain polymer, and can be liquid or vapor-
liquid. The top can contain polymer, and be liquid, vapor-liquid or vapor only.
If vapor-only, there should be no polymer present, and stream type
PolymerToMole should be used as the connection.
Sep2P Usage Notes

Connect all feed and products using stream type PolymerStream. If the top
product contains no polymer, use stream type PolymerTo Mole. Provide
appropriate values for all model parameters:

value
TopPhase Valid phase in the top stream Vapor-Liquid
BotPhase Valid phase in the bottom stream Vapor-Liquid

OutTop.T Specified top stream temperature C
OutTop.P Specified top stream pressure Bar(abs)
OutBot.T Specified bottom stream C
temperature
OutBot.P Specified bottom stream pressure Bar((abs)
Split(componentlist) Specified fraction of the total inlet -
components going to the bottom
stream

view the results:
• Specification - where you can specify the fixed variables and the valid
phases in both top and bottom streams.
• Results - where you can view variables such as temperature, pressure,
and mass specific enthalpy for both top and bottom streams.
Sep2
Sep2 is a steady-state non-polymer component splitter model. It splits a
single non-polymer stream into two streams. The model should be used for
non-polymer streams only. The model can be used to represent component
separation operations such as distillation and extraction when the details of
the separation are unknown or unimportant.
The top and bottom product streams can be liquid, vapor-liquid or vapor only.
Sep2 Usage Notes


value
TopPhase Valid phase in the top stream Vapor-Liquid
BotPhase Valid phase in the bottom stream Vapor-Liquid

OutTop.T Specified top stream temperature C
OutTop.P Specified top stream pressure Bar(abs)
OutBot.T Specified bottom stream temperature C
OutBot.P Specified bottom stream pressure Bar(abs)
Split(componentli Specified fraction of the total inlet -
st) components going to the bottom
stream

Two forms are available to specify the operating conditions and view the
results.
• Specification - where you specify the fixed variables and the valid phases
in both top and bottom streams.
• Results - where you view the variables such as temperature, pressure,
and molar specific enthalpy for both top and bottom streams.
FlashP
FlashP is a dynamic, two-phase, flash vessel with one feed stream (for
multiple feeds, use MixerP with mode Instantaneous), one vapor product
stream and one liquid product stream.
Connections are provided to enable you to connect temperature, level, and
pressure controllers. The heating/cooling duty for the reactor is specified
directly.
The model assumes perfect mixing and a vertical vessel with flat ends. The
vapor phase is a simple holdup of components in the vapor and a material
balance for each component. The liquid/slurry phase is a holdup with material
and energy balances. The feed is considered to be perfectly mixed with the
liquid phase.
for the polymer attributes.
FlashP Usage Notes

Connect the feed and liquid product using stream type PolymerStream.
Connect the vapor product using MoleStream.

V Total vessel volume m3

Vm_out Vapor product rate kg/hr

they are automatically set to Free.
To initialize FlashP, whether the initial conditions are steady-state or dynamic,
always provide reasonable values for the initial variables:

Out_V.T Vapor phase temperature C
P Reactor pressure bar
Level Liquid level m
Out_L.Zm Liquid mass fractions of all kg/kg
(componentlist- components except the polymer.
polymer)
Ym_out Vapor mass fractions of all kg/kg
(componentlist- components except the polymer.
polymer)
Zmom, sflow, etc. Polymer extensive moments from kmol/hr
Aspen Plus results

view the results.
• Specification - where you can specify the fixed and initial variables for the
flash.
heat duty, liquid and vapor volumes, and liquid and vapor mass flow
rates.
FlashSSP
FlashSSP is a steady-state flash model which flashes a polymer input stream
into its liquid polymer and vapor phases. Connections are provided for
temperature control. The heating/cooling duty is specified directly.
The model contains steady-state mass and heat balance equations, and
vapor-liquid phase equilibria, as well as polymer attribute balances. All
polymer leaves in the liquid polymer stream.
Connect the feed and liquid product using stream type PolymerStream.
Connect the vapor product using MoleStream.

If a temperature controller is used, the duty specification is changed to Free

automatically.

view the results.
• Specification - where you can specify the fixed variables for the flash.
heat duty, mass-based vapor fraction and liquid and vapor specific
enthalpy.
FlashSS
FlashSS is a steady-state flash model which flashes a non-polymer input
stream into its liquid and vapor phases. Connections are provided for
temperature control. The heating/cooling duty is specified directly.
The model contains steady-state mass and heat balance equations, and
vapor-liquid phase equilibria.
FlashSS Usage Notes

Connect the feed and liquid product using stream type MoleStream.

Delta_P Specified press change Bar(abs)
If a temperature controller is used, the duty specification is automatically set

to Free.
view the results.
• Specification - where you can specify the fixed variables for the flash.
• Results - where you can view the variables such as temperature, pressure
drop, heat duty, molar-based vapor fraction, and liquid and vapor molar
enthalpy.
Stream Types
Click the following links to display information on the dynamic polymer library
stream types:
Name Purpose Notes

PolymerStream Represents all streams (except For Vapor product streams, use
vapor product streams), the MoleStream or generic stream
connecting polymer library models type, Connection.
MoleToPolymer Connects a non-polymer library Examples include connecting the
model which uses the mole-based feed section, which might use
port type, MaterialPort, to polymer mole-based models, to the first
library models which use mass- polymer reactor, or to a polymer

based streams. mixer.
PolymerToMole Connects a product stream from a Warning: Because it drops the
polymer library model to a non- polymer attributes, use with
polymer mole-based mode. Takes caution.
a polymer stream and converts it Examples include Sep2P top
to a mole-based stream, but drops product containing no polymer.
the polymer attributes.
MoleStream Represents non-polymer streams Examples include feed streams to
connecting non-polymer library non-polymer library models.
models or vapor stream from
polymer library models
PolymerStream
PolymerStream is a flexible stream type which can be used as a polymer feed
stream, or a connecting stream between polymer library models. Use
PolymerStream as a feed stream only where the polymer flow rate is
constant.
For the feed stream, when the source of the stream is unconnected,
PolymerStream sets the typical specifications of the stream to Fixed, so that
the problem is automatically square. You can either specify each component
flow rate in the feed by setting the parameter, FeedSpecOption,to Flows, or
specify the total mass flow and each component mass fraction for the feed by
setting FeedSpecOption to Fractions.
Control connections are provided to enable manipulation of
any component feed flow (Fmc), stream temperature (T), or pressure (P).
If the parameter, DerivedAttributes is set to Yes,the stream calculates all the
derived (class 0) attributes of the polymer in the stream. You can set
DerivedAttributes at a global level, or individually for each stream.
Note: Setting DerivedAttributes to Yes increases the number of

variables and equations in the simulation and can affect
performance.
PolymerStream Usage Notes

Four forms are available to enable you to specify the stream or view the
stream results.
• Specification - allows you to specify the feed conditions and adjust the
parameters ValidPhases and DerivedAttributes. For example you may
specify whether the stream phase is Liquid or Vapor-Liquid by using
parameter ValidPhases.
• AttributeValues - displays the values of derived attributes, for example,
DPN, DPW, and PDI of the polymer, when the DerivedAttributes parameter
is switched to Yes.
• Results - displays the stream variables such as temperature, pressure,
flow rate, component mass fractions, and specific enthalpy of the stream.
• AttributePlot – enables you to view the plots of attributes DPN, DPW, DPZ,
and PDI when the DerivedAttributes parameter is switched to Yes.

Provide all the fixed variables in this table:

Fmc(componentlist) Component mass flow rates kg/hr
(FeedSpecOption : Flows)
Fm Total mass flow rate kg/hr
(FeedSpecOption : Fractions)
Zm (components) Component mass fractions -
T Stream temperature C
P Stream pressure bar(abs)
Zmom Zeroth moment flow kmol/hr
Smom Second moment flow kmol/hr
Tmom Third moment flow kmol/hr
Sflow (segments) Segment mole flow kmol/hr
LCB Long chain branch flow kmol/hr
SCB Short chain branch flow kmol/hr
Lsmom Live polymer second moment kmol/hr
Leflow (Segments) Live polymer end segment flows kmol/hr
(zeroth moment)
Lsflow (Segments) Live polymer segment flows (first kmol/hr
moment)
Notes:
The polymer fixed variables that must be specified depend upon

the attributes selected for the polymer properties.
If the application is a Ziegler Natta application, all of the above

polymer attributes will be site-based attributes, and you must
also specify the catalyst attributes listed in this table.
MoleToPolymer
MoleToPolymer is used to connect a non-polymer library model that uses the
mole-based port type, MaterialPort, to polymer library models that use mass-
based streams. The stream converts the mole stream variables to mass basis.
Use MoleToPolymer when you are connecting from a mole-based model to
polymer library models. For example, you would use MoleToPolymer to
connect the feed section, which might use mole-based models, to the first
polymer reactor, or to a polymer mixer.
MoleToPolymer does not require any input variables or parameters.
Usage Notes
Use the Results form to view the stream variables such as temperature,
pressure, total mass flow rate, component mass fractions, and specific
enthalpy of the stream.

PolymerToMole
PolymerToMole converts a polymer stream to a mole-based stream, but drops
the polymer attributes. This enables you to connect a product stream from a
polymer library model to a non-polymer mole-based model.
Use PolymerToMole for Sep2P top product when it contains no polymer.
The vapor product from the polymer library models CSTRFP, FlashP, and
FlashSSP do not require the PolymerToMole stream type. These vapor
products are already mole-based, so you can use the generic stream type,
Connection, to connect them to mole-based models.
Warning: Because PolymerToMole drops the polymer attributes,

use with caution.
PolymerToMole does not require any input variables or parameters.
Usage Notes
The Results form provides you with the stream variables such as
temperature, pressure, total mass flow rate, component mass fractions, and
specific enthalpy of the stream.
MoleStream
This section contains details of the polymer library stream type MoleStream.
MoleStream can be used as a feed to a non-polymer library model, or a
connecting stream between two non-PolymerPorts that use the mole-based
port type, MaterialPort.
For the feed stream, when the source of the stream is unconnected,
MoleStream sets the typical specifications of the stream to Fixed, so that the
problem is automatically square. You can either specify each component flow
rate in the feed by setting the parameter, FeedSpecOption,to Flows, or
specify the total mass flow and each component mass fraction for the feed by
setting FeedSpecOption to Fractions.
Control connections are provided to enable manipulation of
any component feed flow (Fmc), stream temperature (T), or pressure (P).
Use MoleStream when you are connecting between two mole-based ports. For
example, you might use MoleStream to connect the vapor product of a
polymer model, two-phase polymer reactor, to a non-polymer model,
FlashSS.
Two forms are created to enable you to specify the stream or view the stream
results.
• Specification - allows you to specify the feed conditions and ValidPhases.
For example you may specify whether the stream phase is Liquid or
Vapor-Liquid by using parameter ValidPhases.

• Results - provides you the stream variables such as temperature,
pressure, molar flow rate, molar component fractions, and molar enthalpy
of the stream.
Provide all the fixed variables in the following table:

Fmc(componentlis Component mass flow rates kg/hr
t) (FeedSpecOption : Fractions)
Fm Total mass flow rate kg/hr
Zm (components) Component mass fractions -
T Stream temperature C
P Stream pressure Bar(abs)
If the application is a Ziegler Natta application, all of the polymer attributes

will be site-based attributes, and you must also specify these catalyst
attributes:

Max_SItes Moles of catalytic sites per unit mass Kmole/kg
catalyst
cpsfrac Catalyst potential site fraction -
cvsfrac(sites) Catalyst vacant site fraction -
cdsfrac Catalyst dead site fraction -
cisfrac(sites) Catalyst inhibited site fraction -

4 Polymers Plus Examples
Overview of Examples
This section describes how to run the Dynamic Polymers Plus example files
which have been delivered with Aspen Custom Modeler.
These examples illustrate all the kinetics models which may be currently used
with dynamic simulations. The examples are:
• Nylon 6,6 (Step Growth).
• Bulk Polystyrene (Free Radical).
• Styrene Acrylonitrile (SAN) (Free radical).
• Polypropylene (Ziegler Natta).
• High Density Polyethyene (HDPE) (Ziegler Natta).
NYLON6 Example Description

This example models the reactor system in a NYLON6 polymerization process.
Setting Up the Interface for the Nylon

Example
To run the NYLON6 example, you first need to set up the interface for Aspen
Custom Modeler and Aspen Plus. To do this,
1 Click Start, then point to Programs, AspenTech, Aspen Plus 12.1 and click
Aspen Plus Simulation Engine.
2 In the Aspen Plus Simulation Engine window, move to the directory where
you have installed the example files.
If you have installed Aspen Custom Modeler in the default location, this is
C:\Program Files\AspenTech\Aspen Custom Modeler
12.1\Examples\PolyPlus\Nylon6
3 Enter the command ASPEN NYLON6.
Note: You can delete all the new files created by the ASPEN run
except the .inp and .appdf file.
4 Polymers Plus Examples 51

Now you can run the NYLON6 example.
Running the NYLON6 Example

Now complete these steps to run the NYLON6 example:
1 From the File menu, click Open.
2 Open the Nylon6 folder. If you have installed Aspen Custom Modeler in
the default location, this is C:\Program Files\AspenTech\Aspen Custom
Modeler 12.1\Examples\PolyPlus\Nylon6
3 Double-click the example file Nylon6.acmf.
4 In the All Items pane of the Simulation Explorer, ensure Flowsheet is
selected.
5 In the Contents pane, click the Task named FeedDisturbance with the
right mouse button and then click Activate.
6 In the Contents pane, click the script ProblemSpecs with the right mouse
button and then click Invoke Script.
7 In the Run Mode box on the toolbar, ensure the run mode is Initialization.
8 Run the simulation.
9 In the Run Mode box on the toolbar, change the run mode to Steady-
State.
10 Run a steady-state simulation.
11 Change the run mode to Dynamic and run the simulation.
Polystyrene Example
Description
This example models a Polystyrene polymerization process.
Setting Up the Interface for the

Polystyrene Example
To run the Polystyrene example, you first need to set up the interface for
Aspen Custom Modeler and Aspen Plus. To do this,
C:\Program Files\AspenTech\Modeler\Examples\PolyPlus\
Polystyrene.
3 Enter the command ASPEN PS.

Now you can run the Polystyrene example.
Running the Polystyrene Example

Complete the following steps to run the Polystyrene example:
2 Open the Polystyrene folder. If you have installed Aspen Custom Modeler
in the default location, this is
C:\Program
Files\AspenTech\Modeler\Examples\PolyPlus\Polystyrene
3 Double-click the example file PS.acmf.
selected.
State.
SAN Example Description

This example models the reactor system in a Styrene-Acrylonitrile co-
polymerization (SAN) process.
Setting Up the Interface for the SAN

Example
To run the Styrene-Acrylonitrile (SAN) example, you first need to set up the
interface for Aspen Custom Modeler and Aspen Plus. To do this,

12.1\Examples\PolyPlus\SAN
3 Enter the command ASPEN SAN.
Note You can delete all the new files created by the ASPEN run
Now you can run the SAN example.
Running the SAN Example

2 Open the SAN folder. If you have installed Aspen Custom Modeler in the
default location, this is C:\Program Files\AspenTech\Aspen Custom
Modeler 12.1\Examples\PolyPlus\SAN
3 Double-click the example file SAN.acmf.
selected.
9 In the Run Mode box on the toolbar, ensure the run mode is steady-state.
Polypropylene Example
Description
This example models the reactor system in a slurry polypropylene
polymerization process.
Setting Up the Interface for the

Polypropylene Example
To run the Polypropylene example, you first need to set up the interface for
Aspen Custom Modeler and Aspen Plus. To do this,

12.1\Examples\PolyPlus\Polypropylene
3 Enter the command ASPEN PP.
Now you can run the Polypropylene example.
Running the Polypropylene Example

Complete the following steps to run the Polypropylene example:
2 Open the Polypropylene folder. If you have installed Aspen Custom
Modeler in the default location, this is C:\Program
Files\AspenTech\Aspen Custom Modeler
12.1\Examples\PolyPlus\Polypropylene
3 Double-click the example file PP.acmf.
selected.
9 In the Run Mode box on the toolbar, ensure the run mode is steady-state.
HDPE Example Description

This example models the reactor system in a solution high-density-
polyethylene polymerization (HDPE) process.

Setting Up the Interface for the HDPE
Example
To run the high-density-polyethylene polymerization (HDPE) example, you
first need to set up the interface for Aspen Custom Modeler and Aspen Plus.
To do this,
C:\Program Files\AspenTech \Aspen Custom Modeler
12.1\Examples\PolyPlus\HDPE
3 Enter the command ASPEN HDPE.
Now you can run the HDPE example.
Running the HDPE Example

Complete the following steps to run the HDPE example:
2 Open the HDPE folder. If you have installed Aspen Custom Modeler in the
default location, this is C:\Program Files\AspenTech\Aspen Custom
Modeler 12.1\Examples\PolyPlus\HDPE
3 Double-click the example file HDPE.acmf.
selected.
State.

General Information
Copyright
Version Number: 2004.1
April 2005
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Related Documentation
Title Content
Aspen Custom Modeler 2004.1 Getting Started Contains basic hands-on tutorials to
Guide help you become familiar with Aspen
Custom Modeler.
Aspen Custom Modeler 2004.1 User Guide Contains a general overview of ACM
functionality and more complex and
extensive examples of using Aspen
Custom Modeler.
Aspen Custom Modeler 2004.1 Library Contains reference information on

Reference control models, property procedure
types, utility routines, port types, and
variable types.
Aspen Custom Modeler 2004.1 Modeling Contains detailed reference

Language Reference information about the modeling
language, including syntax details and
examples.
Aspen Custom Modeler 2004.1 Aspen Modeler Contains information on using

Reference automation, solver options, physical
properties, the Control Design
Interface (CDI)), Simulation Access
eXtensions, online links, and using
external nonlinear algebraic solvers.
Aspen Custom Modeler 2004.1 DMCplus® Contains information on using

Controllers Interface DMCplus with Aspen Custom Modeler
or Aspen Dynamics™.
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Index
MixerSS model: 28
A MoleStream stream type: 49
Atts attribute set: 12 MoleToPolymer stream stype: 48
available 60
O
C Overview of Reactors 37
Catalysts
P
using stream type for: 8
Catalysts: 8 Pact_Coeff_LiqP procedure type: 30
CatAtts attribute set: 14 Pcp_Mass_LiqP procedure type: 30
CatSiteAtts attribute set: 15 Pdens_Mass_LiqP procedure type: 31
Component lists Penth_Mass_LiqP procedure type: 32
characterizing polymers: 8 Pflash3P procedure type: 33
Component lists: 8 PflashP procedure type: 32
CSTR2P model: 38 Pfuga_LiqP procedure type: 34
CSTRP model: 39 Physical properties
characterizing polymers: 8
F Physical properties: 8
FlashP model: 44 PkllValuesP procedure type: 35
FlashSSP model: 45 PkValuesP procedure type: 36
FSplitP model: 28 PMolWeights_Seg procedure type: 36
Polymer models
H building flowsheets: 8
HeaterP model: 25 CSTR2P: 38
Heaters CSTRP: 39
dynamic polymer models: 25 FlashP: 44

FlashSSP: 45
M FSplitP: 28
MixerP model: 26 HeaterP: 25
Mixers heaters: 25
dynamic polymer models: 26 MixerP: 26
Index 62
mixers and splitters: 26 creating polymer simulations: 7
MixerSS: 28 defining flowsheet specifications: 9
MoleStream: 49 dynamic modeling overview: 11
MoleToPolymer: 48 examples: 51
overview of developing: 20 kinetic procedures: 22
overview of dynamic library models: 42 polymer sets: 12
PolymerStream: 47 property procedures: 16
PolymerToMole: 49 reaction kinetics procedures: 18
port type: 21 running simulations: 9
Sep2: 43 SegAtts attribute set: 13
Sep2P: 42 SiteAtts attribute set: 13
streams: 46 SiteSegAtts attribute set: 14
Polymer models: 8, 20, 21, 25, 26, 28, 38, 39, specifying physical property options: 8
42, 43, 44, 45, 46, 47, 48, 49
stream types: 15
Polymer procedure types
using stream types for: 8
kinetic procedures: 22
viewing simulation results: 9
overview: 29
Polymers: 7, 8, 9, 11, 12, 13, 14, 15, 16, 18,
Pact_Coeff_LiqP: 30 21, 22, 51
Pcp_Mass_LiqP: 30 PolymerStream stream type: 47
Pdens_Mass_LiqP: 31 PolymerToMole stream type: 49
Penth_Mass_LiqP: 32 Ports
Pflash3P: 33 polymers: 21
PflashP: 32 Ports: 21
Pfuga_LiqP: 34 Procedures
PkllvaluesP: 35 dynamic polymer: 29
PkValuesP: 36 Procedures: 29
PMolWeights_Seg: 36 Pvisc_LiqP procedure type: 37
property procedures: 21
Pvisc_LiqP: 37
Polymer procedure types: 21, 22, 29, 30, 31,
32, 33, 34, 35, 36, 37
Polymers
attribute conservation equations: 21
Atts attribute set: 12
building flowsheets using library models: 8
calling property procedures: 21
CatAtts attribute set: 14
CatSiteAtts attribute set: 15
characterizing: 8, 11
Index 63
S
SegAtts attribute set: 13

Sep2 model: 43
Sep2P model: 42
SiteAtts attribute set: 13
SiteSegAtts attribute set: 14
Splitters
dynamic polymer models: 26
Streams
characterizing polymer: 11
polymer models: 46
polymer stream type: 15
Streams: 11, 15, 46
Index 64

ACM Polymer Simulations With Polymers Plus

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Who Should Read this Guide 2

1 USING POLYMERS PLUS .............................................................................. 7

2 POLYMER DYNAMIC MODELING REFERENCE ............................................. 11

3 DYNAMIC POLYMER APPLICATIONS .......................................................... 23

4 POLYMERS PLUS EXAMPLES ...................................................................... 51

Introducing Aspen Custom Modeler 6

Open the Polymer Library

Create Polymer Simulations

1 Using Polymers Plus 7

Build Flowsheets using Polymer

1 Using Polymers Plus 8

Run Polymer Simulations

Note: Whether your goal is to perform a dynamic simulation

View Polymer Simulation Results

1 Using Polymers Plus 9

Characterize Ziegler Natta

1 Using Polymers Plus 10

Polymers Plus is a layered product of Aspen Custom Modeler. It provides

Characterizing Polymer Streams

2 Polymer Dynamic Modeling Reference 11

Using Polymer Sets

Vector Name Description

Atts Attribute Set

Attribute Description Units

2 Polymer Dynamic Modeling Reference 12

SegAtts Attribute Set

Attribute Description Units

SiteAtts Attribute Set

Attribute Description Units

2 Polymer Dynamic Modeling Reference 13

SiteSegAtts Attribute Set

Attribute Description Units

Note: SiteSegAtts is used only for Ziegler Natta polymers, which

CatAtts Attribute Set

Attribute Description Units

2 Polymer Dynamic Modeling Reference 14

Note: CatAtts is used only for Ziegler Natta polymers, which

CatSiteAtts Attribute Set

Attribute Description Units

Defining Polymer Stream Types

2 Polymer Dynamic Modeling Reference 15

Using Polymer Property

Aspen Custom Modeler Property

2 Polymer Dynamic Modeling Reference 16

The main differences between polymer and non-polymer property procedures,

Polymer Characterization Information

Polymer Characterization Units

Conversion of Mole Based Properties

2 Polymer Dynamic Modeling Reference 17

Input Description Attribute Units

Xm(componentlist) Component mass fraction –

2 Polymer Dynamic Modeling Reference 18

Output Description Attribute Units

Input Description Attribute Units

Xm(componentlist) Component mass fraction -

2 Polymer Dynamic Modeling Reference 19

Output Description Attribut Units

Developing Polymer Models

2 Polymer Dynamic Modeling Reference 20

Calling Polymer Property Procedures

Using Polymer Attribute Conservation

2 Polymer Dynamic Modeling Reference 21