ADV WILEY RIGHT INTERACTIVE

Design of a Compounding
Extruder by means of the
SIGMA Simulation Software
H. POTENTE and M. BASTIAN
Institut für Kunststofftechnik, University of Paderborn, 33095 Paderborn, Germany

J. FLECKE
DSM Polyolefine GmbH, Pawikerstr. 30, 45896 Gelsenkirchen, Germany
Received: August 20, 1998
Accepted: November 10, 1998

ABSTRACT: The simulation program SIGMA, which can be used to assess

the compounding process on tightly-intermeshing, co-rotating twin screw
extruders, was developed within the framework of a joint project conducted by
the Institut für Kunststofftechnik (KTP) of the University of Paderborn and
fifteen industrial companies of several fields in the polymer industry. The
program presented here permits calculations based on physical mathematical
models of the pressure, temperature, local degree of filling, melting, residence
time, mixed substance characteristics derived therefrom, power consumption,
and degree of dispersion of the machine. These results assist the designing
process engineer in the optimization of existing equipment or in the designing
of new equipment. 䉷 1999 John Wiley & Sons, Inc. Adv Polym Techn 18: 147 –
170, 1999

be optimized as part of the design. Until now, this

Introduction was often done based on experience or by means of
the trial-and-error method, combined with experi-

T he process behavior of a compounding extru-

der at given boundary conditions is primarily
determined by the selection and arrangement of the
screw elements on the screw shanks. They have to
Correspondence to: M. Bastian
mental investigations. Apart from that, numerous
calculation models for the theoretical estimation of
the process behavior can be found in the corre-
sponding literature. But the publications1 – 5 either
only cover partial aspects of the process behavior,
or they are mathematically hard to follow, or they short
require a numerical solution of the indicated equa- standard

Advances in Polymer Technology, Vol. 18, No. 2, 147– 170, 1999

䊚 1999 by John Wiley & Sons, Inc. CCC 0730-6679/99/020147-24
ADV WILEY
DESIGN OF A COMPOUNDING EXTRUDER
tions. That is the reason why mathematical models
are so rarely accepted in industry. Figure 1 shows
the interaction of process parameters and the pro-
cess models described. Only the conversion of these
models into an easy to handle software can guar-
antee acceptance and access.
Such a program has been developed as part of a
joint project between the KTP and 14 industrial en-
terprises (Table I).
The software called SIGMA is able to generate a
comprehensive and fast evaluation of the process
behavior of co-rotating intermeshing twin screw ex-
truders.
FIGURE 1. Relationship between process models and process parameters.
148
LEFT INTERACTIVE
Process Models for Calculating
Process Parameters
FUNDAMENTALS
All calculations are based on the definition of a
channel model. For the calculation of the flow, the
screw channel and the barrel are projected onto a
plane, as proposed by Hwang.3 A kinematic rever-
sal is carried out; that is, the actual stationary barrel
is assumed to be moving, and the actual rotating
screw is assumed to be stationary.
short
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VOL. 18, NO. 2
ADV WILEY
TABLE I
List of Participating Companies in the SIGMA Project
▪ BASF AG, Ludwigshafen
▪ Bayer AG, Leverkusen
▪ Barmag AG, Remscheid
▪ Berstorf GmbH, Hannover
▪ Blach Verfahrenstechnik GmbH, Lauffen a. N.
▪ Brückner GmbH, Siegsdorf
▪ Constab Polymer-Chemie GmbH & Co., Rüthen
▪ Dow Benelux N.V., Terneuzen NL
▪ Gebr. Haake GmbH, Karlsruhe
▪ Gummiwerk Kraiburg GmbH & Co., Waldkraiburg
▪ Hostalen Polyethylen GmbH, Frankfurt
▪ Mitsubishi Chemical Corporation, Yokkaishi, Japan
▪ Reifenhaüser GmbH & Co., Troisdorf
▪ DPO Polyolefine GmbH, Gelsenkirchen
▪ Werner & Pfleiderer GmbH, Stuttgart
Figure 2 shows the resulting channel model for
the conveying elements of a co-rotating twin screw
extruder. Arising from the balance area with the
points A, B, and C, decisive for the throughput
FIGURE 2. Channel model for conveying elements.
ADVANCES IN POLYMER TECHNOLOGY
RIGHT INTERACTIVE
DESIGN OF A COMPOUNDING EXTRUDER
balance, is the number k of parallel screw
channels1,2:
␾·i
k ⫽ 2i ⫺ 1 ⫹ (1)
␲
The throughput balance for the channel model of a
co-rotating twin screw extruder, taking into account
the leakage flow over the screw flight, amounts to:
. . .
V ⫽ k · V Kanal ⫿ V Leck (2)
The negative sign applies to conveying and the pos-
itive sign to reversing conveying elements.2 The in-
termeshing zone, which for the selected planar pro-
jection is lower than the projection plane, is
included in the model by the definition of an added
channel section with adapted geometric dimensions
and without influence of the moving barrel.
The speed of the projected barrel is equal to the
circumferential velocity on the outer diameter of the
screws rotating at a screw speed n0:
v0 ⫽ DS␲ n0 (3)
This speed can be divided into one component in
the direction of the screw channel
v0z ⫽ v0 cos ␸s (4)
and one component orthogonal to the flights
v0x ⫽ v0 sin ␸s (5)
Kneading blocks can be treated analogous to con-
ventional screw elements, if based on the substitute
model2 shown in Figure 3.
A continuous geometry here displaces the ge-
ometry that is discontinuous in the axial direction.
That is permissible, because given the same number
of flights, common screw and kneading blocks have
the same transverse screw profile.
The helix angle of the substitute channel ␸S,Kn can
be determined with:
2bS
␸S,Kn ⫽ arctan (6)
␣ Ds short
standard
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FIGURE 3. Assumed geometry for kneading blocks.

bS is the width of the kneading disc and ␣ is the CALCULATION OF THE PRESSURE
staggering angle of neighboring kneading discs. PROFILE
Figure 4 shows the channel model for a convey-
The basis for the general mathematical descrip-
ing double-flighted kneading block. The planar pro-
tion of flow processes are the conservation of mass,
jection is carried out analogous to common screw
impulse, and energy.4,6 – 9 The solution of the conser-
elements at the outer diameter of the screw.37 – 39
vation laws for practical flows can occur by means
of analytical or numerical processes, depending on
the degree of nonlinearity of the system. When car-
rying out an isothermal 2 12-dimensional FE simu-
lation of the melt flow in co-rotating twin screw ex-
truders, the result is the multidimensional flow field
(Figure 5) and the pressure gradient arising in the
direction of the channel. With the introduction of
dimensionless numbers for the throughput

.
V
␲ ⫽
.
V (7)
1
v bh
2 0z

and the pressure gradient

FIGURE 4. Channel model for kneading blocks. FIGURE 5. Geometry for the FE-simulation. short
standard

150 VOL. 18, NO. 2

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FIGURE 6. Dimensionless throughput characteristic.

h1+n ⌬p changes in the operating characteristics of the extru-

␲p ⫽ n
(8)
der, such as the residence time, the shear stress, and
6Kv0z Z
the heat the melt is exposed to. If the channel model
results can be shown in a dimensionless form. Fig- is used, the filling level can be determined by means
ure 6 shows the pressure throughput characteristic of the ratio of the metered volume (fed throughput)
of a power law melt. to the maximum conveyable drag flow in the chan-
The symbols in Figure 6 represent the pair of var- nel:
iates determined by means of an FE simulation. For
a fast and comprehensive evaluation of the process ␲ V. ⫽ f · ␾1 (10)
behavior, an approximation of the interrelationship
shown in Figure 6 was carried out. The continuous with ␾1 representing the dimensionless maximum
lines show the approximated behavior. The good drag flow.
match justifies the shown procedure. Figure 8 shows an example for a comparison be-
tween experimental work and calculated pressure
FILLING LEVEL CALCULATION profiles.
In general, the co-rotating twin screw extruder is
operated in a metered mode. The result is that large
areas along the screw are partially filled. For the
characterization of the partial filling,10 a filling level
is defined as the ratio of the cross-sectional area cov-
ered by the melt (Af) to the cross-sectional area of
the whole channel (A) (Figure 7):

Af
f⫽ (9)
A

A filling level of f ⫽ 1 means that the channel is

completely filled, a filling level of f ⫽ 0 means it is
completely empty. Changing the filing level causes FIGURE 7. Definition of the filling level. short
standard

ADVANCES IN POLYMER TECHNOLOGY 151

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DESIGN OF A COMPOUNDING EXTRUDER
FIGURE 8. Comparison between experimental and
calculated pressure gradients.
CALCULATION OF THE MELTING
PROFILE
The melting characteristics are decisive for the
evaluation of a compounding process. The melting
process influences the temperature development
along the screw arrangement and also the homog-
enizing behavior.
FIGURE 9. Typical melting behavior.
152
LEFT INTERACTIVE
For the calculation of the melting profile it is nec-
essary, right at the beginning, to differ between two
different model concepts. Here, the diameter of the
particles of the material to be melted and the bound-
ary conditions in the solids conveying zone are im-
portant differentiation criteria. Usually, the solids
conveying zone of a co-rotating twin screw extruder
is relatively short. The solid matter is compacted by
reducing the lead before the actual homogenizing
section begins. The actual melting then takes place
in a completely filled screw section, in which the
flow is restricted by, for example, re-conveying el-
ements. Thus, a controlled melting in a defined zone
is achieved. For the conveying of solids it results in
a temperature increase in the particles and the be-
ginning of an outer melting due to the contact with
the heated barrel wall. Figure 9 shows a typical ho-
mogenizing section under the described boundary
conditions. The processes can be visualized by
means of microsections of the samples taken along
the melting zone. At the beginning of the melting,
the solid matter is embedded in a continuous melt
phase. This can be due to the fact that the speed
component in the axial direction in this area is much
lower than in the area conveying forced solids. At
the beginning of the melting process, the solids are
conveyed into the flow-restricted melt phase.
The described melting characteristics only apply
to solid matter with distinctive particle dimensions,
such as standard polymer pellets. If the polymer to
short
standard
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DESIGN OF A COMPOUNDING EXTRUDER

be melted is fed into the extruder in the form of be calculated assuming a face-centered cubic parti-
powder or grit, the observed melting is similar to cle layout. For the physico-mathematical descrip-
that of a single screw extruder (Figure 10). For the tion of the melting of single particles in a melting
calculation of the melting length and the solid bed matrix, interaction with neighboring particles is ne-
profile, a modified TADMOR model2 is assumed, glected. Looking at stationary conditions and pure
which takes into consideration the location-depen- thermal conduction, the energy equation in spheri-
dent thickness of the melt layer at the barrel wall cal coordinates is reduced to
including the leakage flow. The solution in channel
direction results from the energy balance in the melt
layer above the solid bed and the mass balance be-
tween melt pool and melt layer. Table II shows the
冉 冊 冋
␳sc vr
⭸t
⭸r
⫽⫺
1 ⭸ 2.
r2 ⭸r
册
(r q r) (12)

equations for the calculation of the melting profile

The heat flow in radial direction can be described
in channel direction.2
by:
For the formation of a dispersed particle distri-
bution, at the location of the first complete filling,
that is for pellets (Figure 10), a minimum content of . ⭸t
qr ⫽ ⫺ ␭ (13)
existing melt S0 is necessary.15 It results from: ⭸r

S0 ⫽ 1 ⫺ F0 (11) The mass balance between the melting particle and

the melt mass can be used to determine the radial
with F0 representing the solid content. The solid melting rate. The resulting time dependent change
content is identical to the packing density and can of the particle radius is:

short
FIGURE 10. Distinction of the melting models. standard

ADVANCES IN POLYMER TECHNOLOGY 153

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TABLE II
List of Equations for the Melting Calculation (Modified TADMOR-Model)
Dimensionless solid bed width: k1␳sv0x⌬h
冉 冊␦ 2

X ␭S(TZ ⫺ TF1)b
冉
1⫹c SR
冊
冉 冊
y⫽ ⫽ 1⫺
b 1+n
k2K(TF1)v rel ␦ ␦
2⫹ 1 ⫺ n
␭S(TZ ⫺ TF1) 1⫹c
Dimensionless melt layer thickness: ␦ ␺ ⫺ ␺S
␺⫽ ␺* ⫽ ⫽ yc
␦0 1 ⫺ ␺S
Constant for the calculation of melting:
冉
lg
␺1 ⫺ ␺S
␺2 ⫺ ␺S 冊
冉冊
c⫽
y
lg 1
y2
Function of the melt layer thickness: ␦0 ⫽ (␦1 ⫺ sR)y1⫺c ⫹ sR
Constant for the calculation of melting:
k1 ⫽ 2 冉 1
1⫺e A
⫹
1
A
冊2
k2 ⫽ 2
A
冉 A
e ⫺1
A 冊 1+n
(e A ⫺ A ⫺ 1)

␤
A ⫽ (TZ ⫺ TF1)
n
Equation for the dimensionless solid bed width: X 1
y⫽ ⫽ [1 ⫺ (1 ⫺ c)(1 ⫺ ␺S)␲1␨ ] 1⫺c
b
␳Sk1␦0v0DS z L
␲1 ⫽ ␨⫽ ⫽
2m DS DS sin (␸S)

⭸r
⭸t
r
⫽⫺ 0
r
冉冊 2 ␳f ⭸r0
v
␳s ⭸t
(14)
Here, ri is the particle radius at the beginning of the
observed channel section.12 – 14 In the case of a com-
pounding extruder, where two different polymers
Insertion12 results in the following differential equa- or one polymer in the presence of, for example, a
tion for the temperature development: mineral filler, is plasticized, the above equation can
be adapted to the problem by applying laws of
⭸2T
⭸r2
⫹ 冋 冉冊
1
as
r0
r
2 ␳f ⭸r0 2
v
␳s ⭸t
⫹
r 册 ⭸T
⭸r
⫽0 (15)
mixtures. The beginning of the melting of the sec-
ond polymer accrues in dependence of the melting
temperature. For melting of binary systems with
particles within a low viscosity fluid this melting
with
model may not adequately predict the melting.
␭s
as ⫽ (16)
␳s · cps CALCULATION OF THE MELT
TEMPERATURE
As a solution of this differential equation under
Another value, decisive for the evaluation of the
consideration of the conditions for thermal conduc-
extrusion process, is the development of the melt
tion and the melting rate resulting from this, the
temperature along the screw configuration. For a
change of the particle radius for the sections of con-
constant geometry zone, the differential equation
stant boundary conditions along the melting zone
describing this problem (adiabatic screw, isothermal
can be calculated:
barrel wall) is
ri+1 ⫽
⭸T ⭸2T

冋 册
␳c vz ⫽ ␭ 2 ⫹ (␶␥)0e⫺␤(T⫺T0 ) (18)
2 · ␭m cm · (Tm ⫺ TFl) ⭸z ⭸y
q r2i ⫺
cm · ␳S · v
· ln 1⫹
⌬h
(17)
⌬z
The energy balance describes the change of the tem-
short
standard

154 VOL. 18, NO. 2

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perature in the direction of the channel, deriving with

from the shares of the thermal conduction and the
dissipated energy. From introducing the following
dimensionless numbers: ⍜⫽
T ⫺ TZ
TZ
⫽ 冕 0
1
⍜(␨,␰)d␰ (27)

dimensionless temperature:
CALCULATION OF POWER AND TORQUE
T0 ⫺ TZ The calculation of the necessary machine driving
⍜0 ⫽ (19)
TZ power and driving torque is based on the assump-
tion that, according to the channel model (Figure 2),
dimensionless coordinate in y-direction: the power can only be converted at the boundary
surface at the barrel wall. Thus the result of the
y power calculation:
␰⫽ (20)
h

冕冕
b
Z ⫹
P⫽ ( ␶0xv0x ⫹ ␶0zv0z)dxdz
2
dimensionless coordinate in z-direction: b
(28)
0 ⫺
2

z
␨⫽ (21)
Z with the following wall shear stresses:

Brinkman number:
冋冉 冊 冉 冊 册
n⫺1
⭸vx ⭸vz ⭸vx
冨
2 2 2
␶0x ⫽ K ⫹ (29)
(␶␥)0h2 Kv1+n
0 h
1⫺n
⭸y ⭸y ⭸y y⫽h
Br ⫽ ⬇ (22)
␭TZ ␭TZ

冋冉 冊 冉 冊 册
n⫺1
⭸vx ⭸vz ⭸vz
冨
2 2 2
Graetz number:
␶0z ⫽ K ⫹ (30)
⭸y ⭸y ⭸y y⫽h
.
cp␳h V The shear gradients at the barrel wall (in the channel
Gz ⫽ (23)
␭bZ k as well as over the flights) can be calculated by
means of an approximation based on a numerical
as well as the evaluation of the energy equation in analysis (FEM). Furthermore, for the calculation of
small sections with an area-wise small temperature the power, there must be a distinction between the
difference: different functional areas (melt pool, leakage gap,
melt layer) in the screw channel and especially in
␤⌬T !: 0 (24) the melting zone (Figure 11).

follows the following differential equation. The so-

lution describes the temperature increase in the
channel:

⭸2⍜ ⭸⍜
⫺ Gz ⫽ ⫺ Br (25)
⭸␰ 2
⭸␨

The accrued solution is2

⍜(␨,␰ ) ⫽ 冋 ⍜0 ⫹
Br
Gz
␨⫹
Br 2
2
␰ 册
冉q 冊 ␰ ␨ 冋⫺ Gz4␨␰ 册 Br 2
2

⫹ Br␰ ⫺ ␰
erf
2
␨ q Gz␲
e
2
Gz FIGURE 11. Different sections for the calculation of short
(26) power. standard

ADVANCES IN POLYMER TECHNOLOGY 155

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DESIGN OF A COMPOUNDING EXTRUDER
RESIDENCE TIME AND
HOMOGENIZATION
For the evaluation of the homogenization char-
acteristics and the thermal stress of the material to
be processed, the residence time, the longitudinal
degree of mixing, as well as the axial mixing coef-
ficient and specific energy input along the screw ar-
rangement, are calculated.
The residence time inside an extruder is subject
to a distribution due to the different flow character-
istics inside the channel. Standardizing the resi-
dence time to the mean residence time results in the
dimensionless residence time distribution shown in
Figure 12. The shortest residence time (i.e., the time
between the material entrance into the extruder and
the first exit) and the mean residence time are cal-
culated as characteristic dimensionless numbers.
Under the boundary conditions of constant den-
sity, the mean residence time is defined as:
AfrLEle f
t⫽ . (31)
V The modular design of co-rotating twin screw ex-
Here, Afr.LEle. f is
. the filled volume of a pair of screw
elements and V the throughput imposed by meter-
ing. The minimum residence time can then be de-
termined as a function of the mean residence
time.2
A dimensionless number for the evaluation of the
mixing quality can be derived from the variance of
the residence time distribution:
␴2 ⫽ 冕 ⬁
⍜1
(⍜ ⫺ 1)2f(⍜)⭸⍜ (32)
Another mixing quality characteristic is the axial
mixing coefficient,10,11 which is the ratio of the leak-
FIGURE 12. Dimensionless residence time distribution.
156
LEFT INTERACTIVE
age flows over the screw flight in relation to the
channel flow:
.
VX
␴M ⫽ . (33)
VZ
The specific energy entry for the different zones, de-
rived from the wall shear stress, is still used for the
evaluation of the dispersing characteristics.
Data Base for the Simulation
The process behavior of a co-rotating twin screw
extruder is influenced by the material characteristics
of the compound to be processed and the geometry
of the screw (i.e., the configuration of the screw el-
ements and the process parameters), which can be
varied as machine settings. These values are thus
also the input data for a simulation calculation.
truders was taken into consideration during the
program development. By means of the definition
of screw and barrel elements, based on the idea of
the Erdmenger profile, any extruder can be pro-
jected as a data base for a subsequent determination
of a barrel and screw configuration.
The description of the material behavior is di-
vided into rheological characteristics, thermody-
namic quantities, and densities. The rheology of the
melt is described by the Carreau-WLF law, which
describes the behavior over a large range of shear-
ing rates. The thermodynamic quantities and the
densities are divided for the description of the ma-
terial behavior in solid and melt phase.
The generic term process parameter includes the
machine settings parameters and the material
stages, which will be further described later. The
following parameters are to be entered as machine
settings parameters for a simulation calculation:
screw speed, barrel temperatures, and the expected
pressure requirements or the definition of a die ge-
ometry.
Consideration of the Material
Behavior of Two-Phase Systems
The description of the rheological and thermo- short
dynamic material values and the densities of poly- standard
VOL. 18, NO. 2
ADV WILEY
mers and polymer compounds is the basis for any
calculation regarding the design of extruders based
on physico-mathematical models. Since the materi-
als to be processed are usually not pure polymers
but rather mixtures of different polymers or poly-
mers blended with additives, fillers, or reinforcing
materials, the material characteristics of the com-
pounds during the processing are to be used for the
calculation.
MATERIAL CHARACTERISTICS OF TWO-
PHASE SYSTEMS
The equations to be found in literature16– 30 to de-
scribe the material behavior of two-phase systems
as a function of the mixing parameters are basically
limited to the description of the viscosity. Our own
investigations of the material behavior of two-phase
systems showed that, apart from the rheological
quantities, the thermodynamic quantities of two-
phase systems cannot be determined by means of a
linear averaging of the source material data. That
applies to polymer blends as well as to filled poly-
mers.
The behavior of the melting enthalpy of a poly-
propylene filled with chalk and a polymer blend
consisting of polyamide and polyethylene, shall
serve as an example for the thermodynamic behav-
ior of two-phase systems. The courses of the en-
thalpy for both material systems in dependence of
the mass content are shown in Figures 13 and 14
Closer analysis of the compound shows that the en-
thalpy can be calculated by means of the mass con-
tent of the filler. The most striking, however, is the
profile of the melt enthalpy, that part of the enthalpy
which is necessary for the actual plasticization of
partially crystalline polymers. It decreases super-
proportionally to the pro rata polymer mass. That
FIGURE 13. Melting enthalpy of a calcium carbonate
filled polymer.
ADVANCES IN POLYMER TECHNOLOGY
RIGHT INTERACTIVE
DESIGN OF A COMPOUNDING EXTRUDER
FIGURE 14. Melting enthalpy of a polymer blend.
leads to the conclusion that the structural transfor-
mation caused by adding chalk has changed the
thermodynamic characteristics of the polymer
phase. Also, in the case of a binary polymer blend,
where it could be assumed that the thermodynamic
data could be calculated based on the linear com-
bination, the real behavior is very different (Figure
14). Confirmations of these findings can also be
found in literature.22 – 28
DESCRIPTION OF THE VISCOSITY OF
POLYMER BENDS
The compatibility of the used polymers is deci-
sive for the description of the viscosity of polymer
blends. To simplify the matter, the polymer blends
can be categorized in homogenous blends of com-
patible polymers, partial and limited compatibility
as well as heterogeneous blends of incompatible
polymers.16 –21
Existing and published description statements,
mostly based on different kinds of experimental in-
vestigations, also name miscibility and viscosity ra-
tios as decisive factors. The easiest and most com-
mon statement is the so-called logarithmic law of
mixtures according to Arrhenius (Table III) For
compatible polymers with a ratio of intransic vis-
TABLE III
Equations for the Calculation of the Viscosity for
Binary Polymer Blends
Arrhenius: log ␩b ⫽ w1 log ␩1 ⫹ w2 log ␩2
Bingham: 1 1 1
⫽ w1 ⫹ w2
␩b ␩1 ␩2
Utracki: ␩b1/3,4 ⫽ w1␩11/3,4 ⫹ w2␩21/3,4
short
Grunberg: ln␩b ⫽ w1 ln␩1 ⫹ w2 ln␩b ⫹ 2w1w2 G
standard
157
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DESIGN OF A COMPOUNDING EXTRUDER
cosity of less than 10 this statement leads to good
results.25,26 For the evaluation of the statements to
describe the viscosity of incompatible polymers, dif-
ferent blends from a mixture of a high-density poly-
ethylene of different weight contents with low-den-
sity polyethylene, a polypropylene and a polyamide
have been processed without compatibilizer on a co-
rotating twin screw extruder. The results of the sub-
sequent rheological investigation are documented
in Figure 15. It can be seen that a uniform descrip-
tion is very inaccurate due to differences in profiles.
FIGURE 15. Viscosity of different polymer blends.
158
LEFT INTERACTIVE
The incompatible polymer blend of 20/80 wt%
HDPE/PA shall be used for analyzing the quality
of the description. Statements to describe the vis-
cosity according to Arrhenius,24,25 Utracki19,21 and
Bingham27,28 (Table III) have been inserted in Figure
16 for comparison purposes. It is clear that all of the
statements do not well represent the viscosity of the
blend. Other, sometimes more lavish statements to
be found in literature27,28 have not been integrated
in the diagrams; these led to worse results in the
analysis.
Another interesting statement has been pub-
lished by Grunberg.28 This description, following
the Arrhenius statement, essentially contains as an
extension a constant G, which causes a parallel dis-
placement of the Arrhenius law. In Figure 16, this
displacement constant was modified as a function
of the shear rate, so that a more exact description
was made possible. The disadvantage of this state-
ment is the necessity to know selected measured vis-
cosity curves for the adaptation.30
An important reason for the difficulty of the cal-
culation of viscosities of binary systems is the influ-
ence of morphology of polymer blends or degree of
mixing of filled polymers.
DESCRIPTION OF THE VISCOSITY OF
FILLED POLYMERS
Filling polymers with different substances — in
most cases of mineral origin — influences not only
the characteristics of the end product but also fun-
damentally influences the processing characteris-
tics. As previously shown, the thermodynamic char-
acteristics as well as the rheological characteristics
explained later, change. Here as well, different state-
ments for the description of the rheological material
behavior, based on theoretical considerations or ex-
perimental investigations, can be found in the
literature,31– 36 some of which shall be analyzed more
closely.
Figure 17 shows an example of the rheological be-
havior of a filled polymer in dependence of the mass
content of a mineral filler at two temperatures. The
displacement of the viscosity curve to higher vis-
cosity values with increasing filler content is clearly
visible. The equations shown in Table IV were used
to calculate the viscosity curves of the filled poly-
mers detailed information about the equations and
their fields of application can be found in the cor-
responding literature.31 – 36 The equations were se-
lected according to the evaluation of the description short
quality for the used polymer filler combinations. standard
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FIGURE 16. Comparison between measured and calculated viscosity of a polymer blend.

short
FIGURE 17. Viscosity of a filled polymer. standard

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TABLE IV acteristics of the components involved, constitutes

Equations for the Calculation of the Viscosity of a problem when designing a processing extruder.
Filled Polymers Because the description of the process behavior is
Einstein: ␩S ⫽ ␴F (1 ⫹ 2,5␾) based on an as-exact-as-possible knowledge of the

冉 冊
material characteristics, all the characteristics have
2␾
Hashin: ␩S ⫽ ␩F 1 ⫹ to be determined prior to the design. Thus the de-
1⫺␾
signing engineer must have access to the com-
Maron and Pierce: 冉 冊
␩S ⫽ ␩F 1
␾
␾0
⫺2
pounds as well as the possible intermediate states
of the processing in order to determine the material

Mooney: 冉 冊
␩S ⫽ ␩F 䡠 e
2,5␾

1 ⫺ k␾
Figure 18 serves as an example to show a com-
parison between a measured viscosity profile and
the profile calculated by means of the mentioned
equations for different polymer filler combinations.
The description of the viscosity of the filled poly-
mers in the examples shown sometimes drastically
deviates from the measured results. Closer analysis
shows that the existing description equations only
insufficiently consider the influence of the temper-
ature, as well as the shear rate and the filler type.
SIMULATION PROCEDURE
The preceding analysis of the existing forms of
description for the rheological characteristics of
filled polymers and polymer blends, as well as the
lack of general forms of description for the ther-
modynamic behavior based on the material char-
characteristics. Exclusively for the estimation of the
process behavior, there are simple laws of mixing to
calculate the material data, which have been inte-
grated into the simulation software.
Figure 19 is an example of a two-stage process
for the integration of a mineral filler. For the simu-
lation, the machine is divided into zones of constant
material characteristics, so-called material stages.
Each material stage is allocated a metered through-
put and an inlet temperature. The individual ma-
terial stages for the simulation of the total process
are coupled from a mass-related energy balance.
Programming
The explained models and equations for the de-
scription of a process behavior assume constant ge-
ometries and boundary conditions. These are not
available along the screw and barrel configuration,
because different functional and temperature zones
overlap. The machine design is divided into zones

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FIGURE 18. Comparison between measured and calculated viscosity of a filled polymer. standard

160 VOL. 18, NO. 2

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FIGURE 19. Definition of material stages.
of equal geometry sizes and boundary conditions
for the simulation. That way, a subdivision with un-
equal zone lengths is achieved for the calculation
and the graphical representation of the calculated
results.
FIGURE 20. Order of events in SIGMA.
ADVANCES IN POLYMER TECHNOLOGY
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DESIGN OF A COMPOUNDING EXTRUDER
The description of the process behavior of co-ro-
tating twin screw extruders contains the coupling
between the thermodynamic and rheological mate-
rial behavior. The calculation models on the other
hand, are uncoupled due to the desired closed com-
putability. In order to consider the thermodynamic
and rheological interactions, the following iterative
procedure was chosen: For a first estimation of the
pressure and filling level along the screw configu-
ration, a starting temperature profile is given. All
other calculations, such as the temperature profile
calculation, can be carried out. With this calculated
temperature profile, a new calculation procedure
will be done. Figure 20 shows the detailed calcula-
tion procedure in the form of an order of events.
To optimize the process, a batch mode together
with multigraphics has still been implemented in
the simulation software. With this software, the pro-
cess behavior of a compounding extruder can be an-
alyzed and documented by varying the screw
speed, throughput rate, and material behavior.
Simulation Example
The following example explains the possibilities,
procedures, and use of the SIGMA simulation soft-
ware results for the design of compounding extru-
ders. The simulation example is a extrusion process
for processing filled polyolefine films.
As part of the processing of the material, a master
batch will in one step be plasticized and reinforced short
with a mineral filler and a lead back edge trim will standard
161
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FIGURE 21. First configuration of the screws and the barrel.

short
FIGURE 22. Pressure and filling level for the first configuration. standard

162 VOL. 18, NO. 2

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be added. The machine was designed as part of a
small industrial project and was imitated on labo-
ratory scale using a co-rotating twin screw extruder,
type ZSK 30.
A fixed inlet pressure of 50 bar at the melt pump
and a fixed screw speed of 300 1/min were set as
boundary conditions. Figure 21 shows the design of
a screw and barrel configuration with barrel tem-
peratures as a first solution. Prior to the calculation,
the material data of the individual components but
also of the interim states of the corresponding ma-
terial stages, were measured. A first simulation cal-
culation showed that the melting was insufficient in
the melting zone due to insufficient flow restriction
of the neutral kneading block used.
Figures 22 and 23 show the pressure and filling
level profiles as well as the melting profile as a result
of the simulation calculation with the SIGMA soft-
ware. The high amount of residual solids at the
point where the filler is added could be substanti-
ated in experiments. This resulted in problems dur-
ing the experiments as the filler material was added.
As a solution to the problem, the melting zone
was changed using a re-conveying screw element,
FIGURE 23. Melting profile for the first configuration.
ADVANCES IN POLYMER TECHNOLOGY
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as shown in Figure 24. The simulation calculation
shows a pressurized zone connected with controlled
melting in the completely filled kneading blocks
(Figure 25). The results of the temperature and
power profiles are shown in Figures 26 and 27. A
comparison with the values measured in the exper-
imental investigation displays the good correspon-
dence. For the evaluation of the homogenization,
Figure 28 shows the calculated residence time be-
havior and the profile of the axial mixing coefficient.
As an example of the additional possibilities the
simulation software offers, it can show the failure of
the edge trim in combination with single-stage me-
tering. Especially for the design of complex pro-
cessing extruders, failure of material stages or
changes to the position of metering must be consid-
ered. In such cases, the simulation calculation is a
fast and cheap alternative to expensive laboratory
investigations. The result of the simulation calcula-
tion is documented in Figures 29 and 30. It is visible
that even in this mode of operation, the melting
zone guarantees safe melting. This arises from the
longer fully filled section in the melting zone due to
the zone-related increase of the melt flow.
short
standard
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FIGURE 24. Pressure and filling level for the modified configuration.

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FIGURE 25. Melting profile for the modified configuration. standard

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FIGURE 26. Melt temperature profile for the modified configuration.

short
FIGURE 27. Power consumption for the modified configuration. standard

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FIGURE 28. Residence time and axial mixing coefficient for the modified configuration.

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FIGURE 29. Pressure and filling level for single stage metering. standard

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FIGURE 30. Melting profile for single stage metering.
Comparison between
Simulations and Experimental
Results
The following example shows a comparison be-
tween simulations with SIGMA and experimental
measured pressures and temperatures along the
screws of the extruder. The example is a extrusion
process for processing polymer blends of polypro-
pylene and polyamide 6 with a ZSK 40 from Krupp
Werner & Pfleiderer. Figure 31 shows the calculated
pressure and temperature profiles as well as the
measured values.
Conclusions
As part of the current follow-up joint project, the
following modules, among other things, will be im-
plemented into the SIGMA simulation software, in
ADVANCES IN POLYMER TECHNOLOGY
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DESIGN OF A COMPOUNDING EXTRUDER
order to get a more comprehensive evaluation of the
processing:
▪ models for the calculation of the plasticization
process of multi-phase systems,
▪ models for the estimation of the morphology
of polymer blends and
▪ models for the determination of the degree of
dispersion of compounds.
Analogous to the existing calculations, the input
of material data that is difficult to access is also op-
tional, so that the user can carry out estimating cal-
culations of the melting behavior, the morphology
or the degree of dispersion, even though the knowl-
edge of the material characteristics of the blend may
not be complete. Thus the designing or process-op-
timizing engineer can use the SIGMA software to
quickly and comprehensively evaluate the process
behavior of closely intermeshing co-rotating twin
screw extruders for typical processing tasks.
The application of the simulation software is to
be regarded as a support and not as a substitution short
for other design methods. standard
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FIGURE 31. Pressure and temperature profile and experimental results for processing of a polymer blend.

Omya, Reifenhäuser GmbH & Co, Talc de Luzenac

Expression of Thanks and Hornschuch AG, Krupp Werner & Pfleiderer,
and 3 Plus Extruder.
We want to thank the ”Deutsche Forschungs-ge-
meinschaft DFG” as well as the companies partici-
pating in the joint project SIGMA for the financial
support, that made the realization of the software References
development possible. Especially we want to thank
the following companies: BASF AG, Bayer AG, Bar- 1. Booy, M. L. Polym Eng Sci 1978, 18 (12), 973– 984.
mag AG, Berstorff GmbH, Brückner GmbH & Co. 2. Ansahl, J. Grundlage zur Auslegung dichtkämmender
KG, Dow Chemical, Hostalen Polyethylen GmbH, Gleichdrall-Doppelschnecken-extruder. Ph.D.-Thesis, Univ- short
DPO GmbH, Mitsubishi Chemical Corporation, ersität-GH Paderborn, 1993. standard

168 VOL. 18, NO. 2

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DESIGN OF A COMPOUNDING EXTRUDER

3. Hwang, B. K. Fluid Flow Studies in Twin Screw Extruders. 31. Sun, L.; Aklonis, J. J.; Salovey, R. Polym Eng Sci 1993, 33,
Ph.D.-Thesis, Universität Delaware, USA, 1982. 1308– 1319.
4. Bird, R. B.; Steward, W. E.; Lightfoot, E. N. Transport Phe- 32. Maron, S. H.; Pierce, P. E. J Colloid Sci 1956, 11, 80– 95.
nomena; John Wiley & Sons: London, 1960. 33. Mooney, M. J Colloid Sci 1951, 6, 162– 170.
5. Chung, T. J. Finite Elemente in der Strömungsmechanik; Carl 34. Kataoka, T.; Kitano, T.; Oyanagi, Y.; Sasahara, M. Rheol Acta
Hanser Verlag: München, Wien, 1982. 1979, 18, 635– 629.
6. Bird, R. B.; Armstrong, R. C.; Hassanger, O. Dynamics of 35. Einstein, A. Ann. Phys 1906, 19, 289ff.
Polymer Liquids; Fluid Mechanics: New York, 1977; Vol. 1. 36. Verein Deutscher Ingenieure. VDI-Kunststofftechnik: Prak-
7. Böhme, G. Strömungsmechanik nicht-newtonscher Fluide; tische Rheologie der Kunststoffe und Elastomere, VDI-Verlag
Teubner: Stuttgart, 1981. GmbH, Düsseldorf 1991, 382– 383.
8. Jischa, M. Konvektiver Impuls-, Wärme- und Stoffaustausch; 37. Potente, H.; Ansahl, J.; Klarholz, B. Int Polym Process 1990,
Vieweg: Braunschweig, 1982. 3, 208– 216.
9. Tucker III, C. L. Computer Modelling for Polymer Process- 38. Potente, H. Rechnergestützte Extruderauslegung; Kunststoff-
ing; Hanser Publishers: München, Wien, New York, 1989. technisches Seminar, Universität-GH Paderborn, 1992.
10. Werner, H. Das Betriebsverhalten der zweiwelligen Knet- 39. Potente, H.; Melisch, U.; Flecke, J. SIGMA-Rechnergestütze
scheiben Schneckenpresse vom Typ ZSK bei der Verarbei- Prozeßsimulation dichtkämmender Gleichdrall-Doppel-
tung hochviskoser Flüssigkeiten. Ph.D.-Thesis, Universität schnecken-extruder, Teil 1 und 2. Plastics No. 1, Nov./Dec.
München, 1976. 1995; Jan./Feb., 1996.
11. Bigio, D.; Cassidy, K. Int Polym Process 1992, VII(2), 111–
115.
12. Potente, H.; Melisch, U. Aufschmelzprozeß in Gleichdrall-
Doppelschneckenextrudern. Abschlußbericht zum DFG-Vor-
haben Po 171/31-1, 1995.
13. Potente, H.; Melisch, U. Int Polym Process 1996, 11(2), 101–
List of Symbols
108.
14. Potente, H.; Melisch, U. Melting in Co-Rotating Twin Screw LATIN SYMBOLS
Extruders. Presented at the Polymer Processing Society, 11th
Annual Meeting, Seoul, Korea, 1995.
15. Rauwendaal, C. Dispersed Solid Melting Theory, ANTEC A Entire cross-sectional area of channel
1993, 2232– 2237. Af Filled cross-sectional area of channel
16. VDI-Kunststofftechnik. Aufbereiten von Polymerblends; Afr Free cross-section
VDI-Verlag GmbH, Düsseldorf, 1989. Ds Outside screw diameter
17. Gächter, R.; Müller, H. Kunststoff-Additive; Hanser Verlag, F0 Initial solid content
München, Wien, New York, 1989. K Coefficient of power flow law
18. Flory, P. J. Discuss Faraday Soc 1970, 49(1), 101– 108. K0T Flow law coefficient
19. Utracki, L. A. Polymer Alloys and Blends; Hanser Verlag, KKanal Coefficient of the power flow law for the
München, Wien, New York, 1983.
free channel section
20. Olabisi, O.; Robeson, M.; Shaw, T. Polymer-Miscibility; Ac-
ademic Press: New York, 1979.
KSpalt Coefficient of power flow law for the
21. Utracki, L. A.; Kamal, M. R. Polym Eng Sci 1982, 22(2), 96–
(corrected) radial gap
114. LEle Length of an element
22. Christov, S. F.; Skorokhodov, I. I.; Shuraleva, Z. V. Vysoko- P Power
mol-Soed 1978, A20, 1705– 1911. S0 Minimum of melt content
23. Kim, Y. W.; Han, C. D. J Appl Polym Sci 1976, 20, 2905– 2912. T Temperature
24. Menges, G. Werkstoffkunde der Kunststoffe; Hanser Verlag, T0 Reference temperature
München, Wien, 1990. Tm Melt temperature
25. Montfort, J. P.; Marin, G.; Armand, J.; Monge, P. Rheol Acta TZ Barrel temperature
1979, 18, 623– 628. TFl Flow temperature
26. Schuch, H. Rheol Acta 1988, 27, 384– 396. T. Mean temperature
27. Irving, J. B. Viscosity of Binary Liquid Mixtures: A Survey of V. Volume flow
Mixture Equations; Report No. 630. National Engineering
V. Kanal Volume flow in channel direction
Laboratory, 1977.
V Spalt Leakage flow
28. Irving, J. B. Viscosity of Binary Liquid Mixtures: The Efficit-
veness of Mixture Equations; Report No. 631. National En- Y1 Constant of characteristic curve of
gineering Laboratory, 1977. throughput
29. Varama, D. S.; Dhar, V. K. J Appl Polym Sci 1987, 33, 1103– Y2 Gradient of characteristic curve of
1124. throughput short
30. Potente, H.; Flecke, J. Kunststoffberater 1997, 14 (Mai). Z Zone length standard

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Zfr Length of free channel cross-section v Mean velocity

when laid out flat x,y,z Cartesian coordinates
Zei Length of intermeshing channel when
laid out flat
aS Thermal divusivity GREEK SYMBOLS
b Screw channel width
b Screw channel width ␣ Staggering angle
bmax Maximium channel width ␤ Temperature shift factor in power flow
bS Flight width for leakage flow model law
c radient constant for the melting profile ␦, ␦1 Melt layer thickness
cp Heat capacitiy ␦0 Starting melt layer thickness
cpF Heat capacitiy of solid ␸s Helix angle at outside screw diameter
e Flight width ␸s,Kn Helix angle for kneading blocks
f Filling level ␩ Melt viscosity
f1 Dimensionless variable for the leakage ␩B Melt viscosity of polymer blend
flow model ␩s Melt viscosity of filled polymers
f Mean filling level ␭ Thermal conductivity
.
h Depth of screw channel ␥ Shear rate
h Mean effective channel depth ␾ Flight angle, Content of filler
⌬h Difference of enthalpy ␾1, ␾2 Constants for the linearised
⌬ha Enthalpy for melting throughput equations
i Screw section ␲p Dimensionless pressure gradient
k Number of parallel channels ␲PKanal Dimensionless pressure gradient in
k1,k2 Constants screw channel
.
m Mass flow ␲PSpalt Dimensionless pressure gradient over
n Flow law exponent the (corrected) radial gap
nSpalt Flow law exponent for the (corrected) ␲v Dimensionless volume flow
radial gap ␲VSpalt Dimensionless volume flow over the
nKanal Flow law exponent for the free channel (corrected) radial gap
section ␲VKanal Dimensionless volume flow in screw
n0 Screw speed channel
p Pressure ␲geo Dimensionless geometry variable for
⌬p Difference of pressure the leakage flow model
.
q Heat flow ␳ Density
r Radius ␳0 Density at temperature T0
r0 Initial radius ␳F Solid Density
sR Radial gap ␳S Bulk density
t1 Minimum residence time ␶0x Wall shear stress in x direction
t Mean residence time ␶0z Wall shear stress in z direction
v0 Circumferential velocity of screws ␰ Dimensionless channel depth
vr Radial velocity of melting ␺ Standardized melt film thickness
vx Velocity in x direction ␺1, ␺2 Standardized melt layer thickness
v0x x component of circumferential velocity ␨ Dimensionless barrel length coordinate
vz Velocity in z direction ␪0 Dimensionless temperature
v0z z component of circumferential velocity ⍀ Intermeshing angle

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standard

170 VOL. 18, NO. 2