Brazilian Journal

of Chemical ISSN 0104-6632

Printed in Brazil
Engineering
Vol. 20, No. 04, pp. 445 - 453, October - December 2003

THE MODELLING OF A TEXTILE DYEING

PROCESS UTILIZING THE METHOD
OF VOLUME AVERAGING
A.A.UIson de Souza 1 and S.Whitaker2
1 Departamentode Engenharia Quimica e Engenharia de Alimentos,
Uni versidade Federal de Santa Catarina,
Phone: (+55) (48) 331-9448, Fax: (+55) (48) 331-9687.
Cx. P. 476, 88040-900" Florian6polis - SC, Brazil
E-mail: augusto@enq.ufsc.br
2Department of Chemical Engineering and Material Science,
Phone (+1) (916) 752-8775, Fax (+1) (916) 752-1031
University of California at Davis, CA 95616, U.S.A.
E-mail: swhitaker@ucdavis.edu

(Received: October 25, 2001; Accepted- July 3, 2003)

Abstract - In this work the modelling of a process of textile dyeing of a single cotton thread is presented. This
thread moves at a constant velocity within a homogeneous dye solution under steady state conditions. The
method of volume averaging is applied to obtain the mass transfer equations related to the diffusion and
adsorption process inside the cotton thread on a small scale. The one-equation model is developed for the
fiber and dye solution system, assuming the principle of local mass equilibrium to be valid. On a large scale.
the governing equations for the cotton thread, including the expression for effective diffusivity tensor, are
obtained. Solution of these equations permits the dye concentration profile for inside the cotton thread and in
the dyeing batch to be obtained and the best conditions for the dyeing process to be chosen.
Keywords: textile, dyeing, modeling.

INTRODUCTION cotton microfibers (Trotman, 1975; Holme, 1986),

where the adsorption process occurs.
The problem under study is illustrated in Figure
1, which shows a uniform cotton thread (co-region),
moving at a constant velocity, Un, within a homogeneous y - K SYSTEM AVERAGING
dye solution. The co-region is composed of fibers «J-
region) and the dye solution inside the thread (~­ The governing differential equations and
phase). The concentration of dye in the thread at boundary conditions for the mass transfer process in
x = 0 is CAron, and the concentration in the YJ-region both the y-phase and the K-phase, illustrated in
at y - 00is a constant value, C A ~. Figure 1, are given by
A small scale can be identified inside the (J-
region as shown in Figure 1. On this small scale, two in the y-phase (1)
phases can be characterized: liquid in the
microfibers, y-phase, and solid, K-phase (Plumb and
Whitaker, 1988a, b, 1990). The K-phase refers to the B.C.I: -n)'K.Dyv"cAy=--'
ac As at~ (2)
at
446 A.A.Ulson de Souza and S.Whitaker

B.C.2: CAy = f (r, t) at cPtye (3) A key aspect of the process of spatial smoothing is
that the boundary condition given by Eq, (2) is
I.e.: CAy = g(r) at t = 0 (4) combined with the governing equation. The area average
concentration can be replaced by the intrinsic average
It is assumed that in the interface the diffusive
flux from the 'Y-phase to the K-phase is equal to the
concentration, (c Ay r" Al
yrc
f
AYK
CAy dA when the
adsorption rate.
The K-phase is assumed to be a rigid phase and the following length-scale constraints, ly« rO' and
adsorption isotherm is a linear function expressed as

CAs = KeqCAy at ~ (5)

[~ J « 1 , arc satisfied (Ochoa-Tapia et al.,

1993; Whitaker, 1999).

Here CAy represents the molar concentration of
chemical species under study (mollm3), CAs Here avyrc represents the surface area per unit
represents the surface concentration (mollm2), and Dy volume, given by
is the 'Y-phase molecular diffusivity of species A
(Whitaker, 1992). The entrances and exits of the '1- A
phase at the boundary of the a-region are represented av =~ (9)
')'K Of/:..
0'
by variable cPtye. V ariable ~ is used to represent
the entire interfacial area within that region. The '1-
and the spatial deviation concentration can be
phase and the K-phase and the a-~ system move at the expressed as
same velocity in relation to the coordinate system; these
two scales are confined to within the cotton fibers.
The intrinsic average concentration is defined by CAy=CAy-(CAY)Y (10)

(CAY)Y = ~ f CAydV (6)

The Closure Problem

YVy At this point a representation for the spatial

deviation concentration needs to be developed.
The spatial averaging theorem (Howes and Subtracting Eq. (8) divided by Ey from Eq. (1),
Whitaker, 1985) for volume era can be expressed as one can obtain

(7) aCAy
=V.(DyVCAY).-
at~
'------.r------
accumulation diffusion
in which Ayrc represents the interfacial area 'Y-K
contained within averaging volume era . _~~IV£y.DyV (CAY/-
The integration of Eqs. (1) through (4) in volume diffusive source
era, using the spatial averaging theorem as presented (11)
by Ochoa-Tapia et al. (1993) and Whitaker (1999),
results in the volume-averaged form of Eq. (1), given by
-£11 vl~l ""tAy dA }

nonlocal term

fyDr[V(CAY), +:y Atn"CAr dA ll-

a(CA )Y
+£-lav Keq y
= V[ (8) ,y ')'K at ,
adsorpti ve source

-av Keq a (CAY)Y

')'K at Ayrc
I The interfacial boundary condition for the
deviation concentration can be expressed as

Brazilian Journal a/Chemical Engineering

 The Modelling of a Textile Dyeing Process 447

- dCAy D'l/ t *
B.C.l : -n'(K.DyVCAy - Keq - - = model is used and I is much greater than one,
dt 12y
(12)
the boundary value problem can be rewritten as

(15)
B.C.2: (13)

I.c.: at t =0 (14)
= n'(K.DyV (CAY) Y Ix + at A"(K (16)
Since the source Q/f'(r, t) only influences the CA
field over a distance on the order of ly, we can
generally replace the boundary condition imposed at
~ with a spatially periodic condition for CA
(Whitaker, 1999). So, when the spatially periodic B.C.2: CAy(r + Ii) =CAy(r), i =1, 2, 3 (17)

~
Figure 1: Averaging volumes for diffusion and adsorption within the cotton thread.

Brazilian Journal of Chemical Engineering, Vol. 20, No. 04, pp. 445 - 453, October - December 2003
448 AAUlson de Souza and S.Whitaker

Closure Variables where the effective diffusivity tensor is defined by

The boundary value problem for deviation

concentration is solved by the method of
superposition, where a proposed solution is given by
DejJ = Dy [I + ~ AYKf nYK bdA]
y
(26)

and vector u is defined by

(18)

Whitaker (1999) proves that \jI = constant is the
only solution. Since this additive constant will not
pass through the filter, the value of \jI plays no role
in the closed form of the volume averaged diffusion
equation.
Here b and the scalar s are the closure variables
and \jI is an arbitrary function (Whitaker, 1999). The
two closure variables can be determined according to
the following two boundary value problems:
Problem I
u (27)
Here the diffusive tensor, Deff, depends only on
the geometry of the porous medium (Whitaker,
1999).
One can use Eq. (23) and Eq. (27) for estimating
the order of sand u. Using these results in Eq. (25),
Whitaker (1999) demonstrated that the advective
term can be neglected for the case of diffusion in
porous solids. The final form of the local average
diffusion and transport equation is given by

(19)
(28)
B.C.1: -nYK.Y'b = nYK at Ay>: (20)

B.C.2: b(r + Ii) = b(r), i =1, 2, 3 (21)

a-J3 SYSTEM AVERAGING
Problem II
In this section we will develop the spatially
smoothed equations associated with volume "P.;,
(22) shown in Figure 1. The length scales related to this
averaging volume are identified in Figure 1. The
boundary value problem associated with the local
Keq volume averaging procedure is given by
B.C.1: -nYK.Y's = - - at Ay>: (23)
Dy

B.C.2: s(r + Ii) = s(r), i = 1,2,3 (24)

Closed Fonn (29)

in the a-region
The closed form of the governing equation for the
intrinsic average concentration, <CAr >r, can be B.C.1: - ncr~.£yDeffY' (CAY? =
obtained by substitution ofEq. (18) into Eq. (8). The
at ~~ (30)
resulting equation can be expressed as - ncr~.D~ Y'CA~

B.C.2: (CAY? =CA~ at ~~ (31)

(25)
B.C.3 : CA~=~(r,t) at ~e (32a)

B.C.4: (CAY)Y =~(r,t) at (Ie (32b)

Brazilian Journal a/Chemical Engineering

 The Modelling of a Textile Dyeing Process 449

aCA~
at __ D.(DRDCAR)·
Y f' Y f'
r:l.
III the ...,-phase (33)
The spatial deviation concentration equation can be
obtained by subtracting Eq. (36) divided by <Pcr from
Eq. (29), and the resulting equation can be simplified
The a-Region when the following restrictions are satisfied:
r (1m £y <Pcr )
Integration of Eq. (29) over ~, illustrated in ...!!!... «1 and »1. Under these
Figure 1, results in 1m lcr
circumstances Eq. (36) can be rewritten as

(34)
£ 1+ aVYKKeq Jaccr
--=
y( £y at

in which the nomenclature for the a-region has been (38)

simplified by using the relationship (CAY) Y= Ccr ,
where

at ~~ (39)
(35)
-ncr~.D~ VCA~ + ncr~.£yDeff.V (Ccr)cr

By using the averaging theorem and following the B.C.2: (40)

same procedure as that adopted previously and
assuming that the restriction lcr« rm is satisfied,
Eq. (34) can be expressed as
The f3-Phase
The volume averaging formofEq. (33) in volume
qz;, using the averaging theorem, is given by

a(CA~)~ _
<P~ at -
~
accumulation

= 1'[~BDB[ (CAB)B +*LflBoCAJl 11+

I' dA (41)

diffusive transport

Here <Po represents the volume fraction of the +_1_

~
f n~cr.D~VCA~ dA
a-region contained in the volume qz; . , A~()' ,

boundary flux
The Closure Problem
The deviation concentration for the ~-phase is given
Analogously to the previous procedure, here a
representation for the spatial deviation concentration by CA~ = CA~ -(CA~?'
is required. The use of the spatial deviation
concentration defined by Gray (1975) and applied to The Closure Problem
the a-region results in
One can see that the subtraction of Eq. (41)
(37) divided by <P~ fromEq. (33) results in the governing

Brazilian Journal of Chemical Engineering. Vol. 20. No. 04, pp. 445 - 453, October - December 2003
450 AAUlsoll de Souza and S.Whitaker

equation for the deviation concentration, which is One-Equation Model

given by
Making the assumption that the principle of local
aCA~
- - = V. ( -)
D~VCA~ -
mass equilibrium (Quintard and Whitaker, 1993;
Whitaker, 1986 a, b) is valid, we can write
at '--v-----'
accu~tion diffusive term
(44)

-~~lvl~ At n~oC~ J- dA Here <C A>' is the spatial average concentration

defined as
nonloc"al term

_~~lV<p~.(D~V (CA~)~ )-
(42)
f
(CA)* =1- CA dV =1- Ccr dV +
~ 0/(;, ~ Vcr
f
diffusiv~ source (45)
+_1_ f CA~ dV
_<p~1 ~
ill
f n~cr.D~VCA~dA ~
VI)
,Aj3cr .
bounruiry flux The following definitions

(46)
By analysis of the order of the terms in Eq. (42), and
assuming the length-scale constraints given by
D t* (47)
l~ «1'rn and -~-2-» 1, one can conclude that
l~
the nonlocal term can be considered negligible can be used with Eqs. (36) and (41) to give
compared to the diffusion term and the closure
process can be considered quasi-steady. Under these
circumstances, Eq. (42) can be rewritten as (48)

(43) Here we have defined the overall effective

diffusivityas

Closure Variables The following boundary value problem needs to

be solved:
Considering that the local closure problem has a
unique nonhomogeneous term proportional to the
(52)
gradient of the spatial average concentration
evaluated on the centroid, one can write

CA~ = b~.V (CA)* + 'I' (50) B.C.1: (53)

Ccr = bcr'V (CA)* + S (51)

where bj3 and bcr are the closure variables. (54)

Brazilian Jaurnal a/Chemical Engineering

 The Modelling of a Textile Dyeing Process 451

indicates the velocity of the observer who is

measuring the concentration. On the basis ofEq. (60)
the governing equation for the co-region can be
b(J(r)=b(J(r+li), b~(r)=
written as
P~o~d~: ~~
=b~(r+li) , i=1,2,3

One can show that \jI = S= constant. This

({€) +(K}) [a{~;}' + Uo . v(cA}' = 1
constant will not pass through the filter represented (61)
by area integrals in Eq. (49), as suggested by
Whitaker (1999). So the value of this constant plays
= v.(<p~~ .V (CA)*)
no role in the closed-form equation.
The TJ-Phase
The Closed Form
The governing equation for the ll-phase is given
Substituting the expressions given by Eq. (50) by
and Eq. (51) for the spatial deviation concentrations
in Eq. (49), taking into consideration solution of the
boundary value problem, one can obtain (62)

One can assume that the boundary layer solution

(57) for the hydrodynamic problem in ,the ll-phase is
acceptable, and in this circumstance the velocity
where profiles obtained by Sakiadis (1961a, b, c) can be
used in Eq. (62).

ON LV ION

The model of a single cylinder cotton thread,

developed using the method of volume averaging for
the adsorption dyeing process, represents a
fundamental approach in this area. Two scales were
THE 0) -TJ SYSTEM considered in order to formulate this problem The K-
phase, inside the a-region, is composed of
The 0)- Region microfibers where the adsorption process occurs.
The co-region, containing the a-~ system, moves at a
At this point we need to consider the co-region
constant velocity. The method of volume averaging
motion related to the ll-phase and for this is applied to obtain the mass transfer equations
circumstance the time derivative of average related to the adsorption process on the small and the
concentration of species A in the co-region can be large scale. The one-equation model is developed for
expressed as the ~- a system, assuming the local mass
equilibrium The simulation results and validation of
d(CA)*
dt
IUo
= d(CA)*
dt
Iv= 0 + U
0
.V(CA)* (59)
this model as well as the effective mass diffusivity
obtained by solution of closure problems will be
presented in a subsequent paper.
By simplification Eq. (59), we can write
A KNOWL G N

This work was done when Antonio Augusto

Ulson de Souza was a postdoctoral student at
The subscript on the left side of Eq. (60) does not University of California, Davis, with financial
indicate what is being held constant, but instead support from the Fundar;:ao Coordenar;:ao de
Brazilian Journal alChemical Engineering, Vol, 20, No. 04, pp. 445 - 453, October - December 2003
452 AAUlson de Souza and S.Whitaker
Aperfei~oamento de Pessoal de Nfvel Superior,
CAPES, Brazil.
NOMENCLATURE Dj3
Dll
Interfacial area of the y-K system, m2
Area of entrances and exits for the 'Weff
y-phase, m2
Interfacial area of the a-~ system, m2 I Unit tensor
<K>
Area of entrances and exits for the
, 2
a-regIOn, m
~e Area of entrances and exits for the
~-phase, m
2
The y-K interfacial area contained
within the averaging volume, OfYcr , m2
Area of entrances and exits for the
y-phase contained within the averaging
volume, OfYcr , m2
The a-~ interfacial area contained
within the averaging volume, 0fY(f), m2
The y-K interfacial area per unit
volume, mol
Concentration in the YI-phase outside
the boundary layer, kgmoll m3
Point concentration in the y-phase,
kgmoll nf
Intrinsic averaged concentration in the
y-phase, kgmol/ m3
Spatial deviation concentration in the
y-phase, kgmol/ m3
Point concentration in the ~-phase,
kgmol/ nf
Point concentration in the YI-phase,
3
kgmoll m
Intrinsic regional averaged
concentration for the ~-phase, kgmol/
m3
Superficial regional averaged
concentration for the a-region, kgmol/
m3
Intrinsic regional averaged
concentration for the a-region, kgmol/
m3
Spatial deviation concentration in the
a-region, kgmol/ m3
Spatial deviation concentration in the
~-phase, kgmol/ m3
Intrinsic spatial averaged concentration
for the a-~ system, kgmol/ m3
Brazilian Jaurnal afChemical Engineering
The y-phase molecular diffusivity, m2/s
The y-phase effective diffusivity tensor,
m 2 /s
The ~-phase molecular diffusivity, m2 /s
The YI-region molecular diffusivity,
m2/s
Effective diffusivity tensor for the a-~
2
system, m Is
The averaged adsorption equilibrium
constant, m
Adsorption equilibrium constant, m
Characteristic length of the ro--region, m
Characteristic length of the a-region, m
Characteristic length of the ~-phase, m
Characteristic length of the y-phase, m
Lattice vectors describing a spatially
periodic porous medium, m
Long length for volume averaged
quantities associated with the co-YI
system, m
Outwardly directed unit normal vector
pointing from the y-phase toward the
K-phase
Outwardly directed unit normal vector
pointing from the a-region toward the
~-phase
Radius of the y-K system averaging
volume, OfYcr, m
Radius of the a-~ system averaging
volume, up;,;, m
Time, s
t* Characteristic time, s
OfYcr , vo1ume, m3
Small-scale averagmg
up;,; , vo1ume, m3
Large-scale averagmg
The co-region velocity vector, m/s
The YI-phase velocity vector, m/s
Volume of the y-phase contained
within OfYcr , m3
Volume of the a-region contained
within 0fY(f), m3
Mass boundary layer
Hydrodynamic boundary layer
The y-phase volume fraction in the
y-K system
The a-region volume fraction in the
a-~ system
The ~-phase volume fraction in the
a-~ system
<£> The averaged porosity
•
The Modelling of a Textile Dyeing Process
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