Mathematical Modelling of Fixed Bed Adsorption Column For Liquid Phase Solute Effect of Operating Variables

International Journal of Scientific & Engineering Research, Volume 4, Issue 8, August-2013 811
ISSN 2229-5518
Mathematical Modelling of Fixed Bed Adsorption Column for Liquid

Phase Solute: Effect of Operating Variables
1
Yusuff A. S., 2Popoola L. T., 3Omitola O. O., 4Adeodu A. O., 5Daniyan I. A.
1, 2
Department of Chemical and Petroleum Engineering,
3
Department of Computer Engineering
4,5
Department of Mechanical Engineering
Afe Babalola University, Ado Ekiti, Ekiti State Nigeria.
1
adeyinkayusuff@yahoo.com, 2popoolalekantaofeek@yahoo.com,
3
omitolasegun@yahoo.com, 4femi2001ng@yahoo.com, 5afolabiilesanmi@yahoo.com
Abstract
A mathematical model for pseudo one component adsorption on a fixed bed is developed.
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The model takes into account of external and internal mass transfer resistances with non ideal
plug flow behaviour. In the present study, the Langmuir equilibrium isotherm is used to
represent liquid-solid equilibrium relationship. The model consists of a set of couple partial
differential equations, and the differential equations representing the mass balances of both
fluid and pore phases are solved by the implicit backward Euler finite difference method and
compared with previous models reported in literature. The effects of various important and
influencing parameters such as flow rate, particle radius and bed porosity in breakthrough
curve are studied in detail. Hence, the proposed model is suitable and applicable to study the
fixed bed adsorption column performance under isothermal condition.
Keywords: Adsorption, Modelling, Langmuir isotherm, fixed bed, operating variables, Euler
finite difference method, liquid- solid equilibrium.
Word count: 140
INTRODUCTION
Adsorption can be defined as the typically, involved a column, packed with
preferential partitioning of substances from a suitable adsorbent, in which a fluid
the gaseous or liquid phase onto the stream containing specifically undesired
surface substrate. In an industrial adsorbates is passed in order to achieve
application, adsorption separation separation. This process is usually fixed
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bed operations, but the moving bed and breakthrough curves or mass transfer
process also exists. The fixed bed process resistances had been published. Raghavan
essentially consists of two steps. The et al [5] considered an isothermal
adsorption and desorption steps. adsorption column packed with porous
Desorption operation is usually performed spherical particles, which was subject at
either by raising the temperature or by time zero, to a small change in the
reducing the total pressure. The former concentration of an absorbable species in
characterizes the thermal swing adsorption the carrier. Several assumptions were
(TSA) process while the latter is applied in made to simplify the model which was
a pressure swing adsorption (PSA) [4, 9]. then solved by orthogonal collocation.
Fixed bed adsorption is widely used for They considered linear isotherm to
purifying liquid mixture, especially describe the liquid – solid equilibrium
industrial waste effluents. In a little over relationship. Suresh et al [1] had also
two decades, activated carbon was considered the effect of various operating
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extensively used for waste and water variables on the process of fixed – bed
treatment. In recent year it has been adsorption. They studied the kinetic using
applied increasingly to large- scale a mathematical model that takes into
separation [10]. For instance, mathematical account of both the external and internal
models can be developed and simulated to mass transfer resistance, non ideal plug-
predict breakthrough curves of adsorption flow along the column and variation of
system, which are widely employed in fluid velocity along the column.
riding industrial wastewater of organic In this research work, a study to ascertain
pollutant [4]. To design a fixed bed the extent to which many solutes from a
adsorption process, detailed analysis of the flowing liquid stream are adsorbed using a
fixed-bed dynamics and rate data are fixed bed system is considered using a
required [2]. mathematical description. The effects of
A lot of studies concerning the various operating variable such as particle
mathematical modelling and prediction of radius, fluid flow velocity and bed porosity
adsorption process, adsorption equilibrium on breakthrough curve are also considered.
MATHEMATICAL MODEL
The mathematical model is developed to are factors to describe the external film
describe some important properties of mass transfer rate, nonlinear adsorption
fixed bed adsorber. Included in the model
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equilibrium and major contribution to Considering an elemental volume of a bed

isothermal effects. in a fixed bed adsorption column.
Cbo
Z + ΔZ
Figure 1. Mass balance in element of a fixed bed

Applying the principle of conservation of [3] Intra particle mass transport is due to
mass to fluid and pore phases in the Fickian diffusion and it is characterized by
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column, we have: the pore diffusion coefficient, D p .
Rate of material in + Rate of material out = [4] Mass transfer across the boundary layer
Rate of accumulation of material + Rate of surrounding the solid particles is
loss by adsorption characterized by the external-film mass
(1) transfer coefficient, K f.
[5] The adsorbent particles are spherical
In order to develop a mathematical model
and homogeneous in size and density.
for this system, the following assumptions
[6] The flow pattern in the bed can be
were made:
described by an axial dispersion plug flow
[1] The system operates under isothermal
model.
condition.
[7] The axial velocity does not change
[2] The adsorption equilibrium
from place to place.
relationship is non linear described by
[8] A pseudo one – component adsorption
Langmuir isotherm.
is assumed.
Material Balance for Liquid Phase Solute.

Subject to equation 1 and assumptions stated above, the material balance for fluid phase in
the column is given by:
∂ 2Cb ∂C ∂C  1 − ε  ∂qt
− DL +U b + b +   p =
0 (2)
∂z 2
∂z ∂t  ε  ∂t
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Introducing appropriate dimensionless variables:

Cb z U 0t u
Cb = , X= , τ= , qp = qp , u=
Cb0 L L u0
and substitute them into equation (1)
1 ∂ 2 Cb ∂Cb ∂Cb  1 − ε   p ∂ q p
− + + +  =
0 (3)
pe ∂x 2 ∂x ∂z  ε  Cb0 ∂y
 ul 
where P e = Peclet number  .
 DL 
The interphase mass transfer rate may be expressed in term of the concentration driving force
across the bounding film to give:
∂q 3k f
=
s t ( cb − cs ) [1] (4)
∂t ap
Where  p (1 − ε p )  s
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(5)
Put equation (1) and (2) together, we have
∂q 3k f (1 − ε p )
= ( cb − cs ) (6)
∂t  pap
Introducing those appropriate dimensionless variable stated above, we have
∂q 3k f L (1 − ε p )  c 
cbo  cb − s  (7)
∂t U 0a p p  cb0 
 
The adsorption equilibrium is described by Langmuir Isotherm:
qmbc
qs = (8)
1 + bc
Where c = c s (fluid phase concentration in equilibrium with q s on the surface of the pellet).
After re-arrangement and substitution of c s for c, equation (8) becomes:
qs
cs = (9)
( qmb − qsb )
put equation (9) into equation 3, we have
1 ∂ 2 cb ∂ cb ∂ cb 3k f L (1 − ε p )  qs 
− + + +  c − =0 (10)
pe ∂x 2 ∂x ∂z εU 0 a p  b cb0 ( qmb − qsb ) 
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Initial and boundary condition

The initial and boundary condition to be employed for fluid phase model are in the following
forms:
Initial condition:
τ ≤ 0; X = 0; cb = 1 (11)
τ ≤ 0; 0 < X ≤ L; cb = 0 (12)
Boundary condition:
1 ∂ cb
1 − cb + = 0; X = 0, τ > 0 (13)
Pe ∂x
∂ cb
= 0; X = L, τ ≥ 0 (14)
∂x
Material balance for pore diffusion control phase:
Subjects to these aforementioned assumptions and equation (1), the material balance for
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diffusion into a spherical pellet is written as:
∂  ∂c  ∂c ∂q
D pε p  =  εp + (1 − ε p )  p [6,7,8] (15a)
∂r  ∂r  ∂r ∂t
or
∂  2 ∂c  ∂c ∂q
 ε p + (1 − ε p )  p
Dp
εp r = (15b)
r 2
∂r  ∂r  ∂t ∂t
Differentiating the left hand side term, we have:
 ∂ 2 c 2 ∂c  ∂c ∂
ε p + (1 − ε p )  p q
Dp
εp  + = (16)
r2  ∂r r ∂r  ∂t ∂t
2
Assuming instantaneous equilibrium

∂q ∂c ∂q
= x [1]
∂t ∂t ∂c
By substitutions and rearrangement, we have:
 ∂ 2 c 2 ∂c  ∂c  ∂q 
D pε p  2 + =  ε p + (1 − ε p )  p  (17)
 ∂r r ∂r  ∂t  ∂c 
∂c 1  ∂ 2 c 2 ∂c 
Dp  2 +  (18)
∂t   1 − ε p  ∂q   ∂r r ∂r 
1 +  p   
  ε p  ∂c 
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∂q
Where is the derivative of adsorption isotherm differentiating Langmuir isotherm
∂c
(equation 8).
∂q qmb
= (19)
∂c (1 + bc )2
put equation (19)into equation (18), we have:
∂c 1  ∂ 2 c 2 ∂c 
Dp  2 +  (20)
∂t   1 −  p  qmb   ∂r r ∂r 
1 +  p   2 
 ε ( + ) 
  p  1 bc 
Equation (19) represents the pure diffusion control phase model.
For this kind of numerical problem, initial and boundary condition were defined as follows:
Initial condition:
C=0; 0 < r < ap, t=0
Boundary condition:
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∂c
= 0 , r=0, t > 0
∂r
∂c
K f (C b - C s) = D p , r = ap, t > 0
∂r
SIMULATION TECHNIQUE nature of boundary condition which is

Since nonlinear adsorption equilibrium is Neumann. A mathematical algorithm to
considered, the preceding sets of partial solve these coupled equations was
differential equations were solved developed and implemented into a
numerically by a reduction to set of computer program using MATLAB
ordinary differential equation using the software. The same parameters reported by
implicit Backward Euler finite difference Bautista et al [2003] were used for
method. This finite difference procedure simulation in this study and are given in
was employed due to its stability and the the table 3.0 below.
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Simulation Parameter
The model parameters for simulation [1] are summarised:
Table 1. Used parameters in simulations of fixed bed adsorption column.
Parameter Unit Values
Bed porosity (ε) - 0.58
Axial dispersion coefficient (D L ) m2 / s 5.9 x 10-10
Particle porosity (ε p ) - 0.53
Particle density (  p ) kg/m3 1970
Maximum adsorption capacity (q m ) mg/g 45.4

Saturated adsorption capacity * mg/g 35.2
Langmuir Isotherm constant (b) ml/mg 0.84
2
Pore diffusivity (D ρ ) m /s 2.4 x 10-11
External mass transfer coefficient (k f) m/s 8.2 x 10-6
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Bed diameter (d) * m 0.016
Initial adsorption concentration (C b0 ) * mg/l 1.2
Column length (l) * m 1.00
Note: The values of those parameters with asterisk (*) are assumed.
Effect of fluid flow rate on simulated

SIMULATION RESULT AND
breakthrough curve.
DISCUSSION
The result for three different feed flow
The simulation of the model gives a
rates plotted. During this simulation, other
solution for the dimensionless
parameters are kept constant; figure [2]
concentration of adsorbate against time at
shows that as flow rate increases, the
different operating conditions and
breakthrough curve becomes steeper, so at
concentration of solute in the liquid phase
high flow rate the adsorbate solution
inside the pores against radial distance
leaves the column before equilibrium
and obtained results are compared with
occurs. Furthermore, a fixed saturation
previous models reported in the literature,
capacity of bed based on the same driving
which agree reasonably well with them.
force gives rise to a shorter time for
This present model is studied by varying
saturation at higher flow rate.
different important parameters such as
particle diameter, bed porosity and fluid
flow rate.
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0.9
0.8 U0 = 1.2m/s
Dimensionless Concentration
U0 = 1.3m/s
0.7
U0 = 1.4m/s
0.6
0.5
0.4
0.3
0.2
0.1
0
0 500 1000 1500 2000 2500 3000
Time(s)
Figure 2. Effect of feed flowrate on simulated breakthrough curve
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Effect of bed porosity on simulated porosity leads to a lower performance in
breakthrough curve solute removal. Meanwhile, smaller bed
Based on the figure 3, as the bed porosity porosity reduces the solute residence time
increases from 0.48 - 0.68, the steepness in the bed and consequently increases the
of the breakthrough curve decreases. It adsorption rate.
signifies that the increment of bed
0.9
0.8
0.7
E = 0.48
0.6 E = 0.58
E = 0.68
0.5
0.4
0.3
0.2
0.1
0
0 500 1000 1500 2000 2500 3000
Time(s)
Figure 3. Effect of bed porosity on simulated breakthrough curve
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Effect of particle radius on simulated the diameter of the particle increases, the
breakthrough curve. thickness of stagnant film around the
The effect of particle on effluent particles increases and the total length of
concentration is shown in figure 4. During the path inside the pore increases. Under
these simulations, other parameters such these conditions, the overall kinetics of
as flow rate, and bed porosity are kept the process is slow because the time for
constant. Figure 3 shows that as the molecules of adsorbates to reach the
particle radius increases from 0.0003 to adsorption site is more as the diffusion
0.0005m, the steepness of the path along the pores is large.
breakthrough curves decreases. Also, as
0.9
ap = 0.0003
0.8 ap = 0.0004
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ap = 0.0005
0.7
0.6
0.5
0.4
0.3
0.2
0.1
0
0 500 1000 1500 2000 2500 3000
Time(s)
Figure 4. Effect of particle radius on simulated breakthrough curve

Concentration profile of PCAS in the concentration against dimensionless radial
solid phase. distance was plotted from simulation
The model used as described above results obtained which shows an increase
determined the outlet adsorbate in concentration of solute inside the pores
concentration at different value of radial as the adsorption progresses.
distances. The graph of dimensionless
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0.9
0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1
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0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
Dimensionless Radial Distance
Figure 5. Concentration Profile of MCA in the Solid Phase of the Adsorber
CONCLUSION AND However, increase in flow rate increases

RECOMMENDATIONS the adsorbate concentration ratio more
A mathematical model for a fixed bed rapidly. Conclusively, the observations
adsorption column was developed and recorded in this study agree excellently
solved numerically by implicit backward with the general observations in the
Euler finite difference method. It was [1,3,5]. Hence, the proposal model is
simulated by using MATLAB suitable and applicable to study the fixed
programming language. Parametric study bed adsorption column performance under
carried out on the model reviewed that isothermal conditions.
smaller bed porosity reduces the solute The model developed here could be
residence time in the bed and further tested by applying it to the non
consequently increases the adsorption rate isothermal system as well as non-
and decrease in particle diameter adiabatic modelling.
decreases the breakthrough time.
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Appendix
Nomenclature
ap Radius of the adsorbent pellets m
A Area of cross section m2
b Langmuir isotherm parameter l/mg
C Solute concentration of the liquid phase inside the mg/l
pore
Cb Bulk phase concentration mg/l
Cs Liquid phase concentration in equilibrium with q s on mg/l
the surface
C in Inlet adsorbate concentration mg/l
Cb Dimensionless concentration of the adsorbate in fluid
phase
DL Axial dispersion coefficient m2/s
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Dp Pore diffusion coefficient m2/s
Kf External film mass transfer coefficient m/s
L Column length m
gp Average adsorbed solute concentration mg/g
gm Langmuir isotherm parameter mg/g
qs concentration on the surface of the pellet mg/g
r Radial distance coordinate m
u Superficial velocity m/s
uo initial superficial velocity m/s
Ū Dimensionless superficial velocity
t Time sec
Τ Dimensionless time
x Dimensionless axial distance
z Axial distance coordinate m
Pe Peclet number
Greek letters
Ε Bed porosity
εp Porosity of the adsorbent
Ρi Solution density Kg/m3
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ρp Particle density Kg/m3

Δ Delta
Subscripts
o Initial Audition
in Inlet
p Particle
S Solid phase
i, j Cell location in grid
References
[1] Suresh, G and Babu, B. V. Modelling and Simulation of Fixed Bed Adsorption Column:
Effect of operating Variables (2010).
[2] Kye, S.H., Jae, H.J., and Won, K.L. Fixed Bed Adsorption for Bulk Component system.
Non - isothermal and non- adiabatic model. Chemical Engineering science. Vol 50. No5 pp
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813-825 (1995).
[3] Nouh, S.A. Modelling and Simulation of Fixed Bed Adsorption Column using Integrated
CFD Approach. Applied Science Journal 10:3229-3235 (2010).
[4] Aribike, D.S. and Olafadehan, O. A. Modelling of Fixed Bed Adsorption of Phenols on
Granular Activated Carbon. Theoretical Foundation of Chemical Engineering, 2008, Vol 42,
No 3. Pp257-263 (2008).
[5] Raghavan, N.S. and Ruthven, D.M. Numerical Simulation of a Fixed Bed Adsorption
Column by the method of Orthogonal Collocatio. AICHE Journal, Vol. 29, No.6, pp 922
(1983).
[6] Coulson, J.T. and Richardson, J.M. Chemical Engineering, Vol 2, Pergamon press (1993).
[7] Perry J.H. and Chilton, G. Chemical Engineers’ Handbook, 5 ed. Mcgraw Hill (1978).
[8] Coulson, J.T. and Richardson J.M. Chemical Engineering Vol.1, Pergamon press (1993).
[9] Ruthven, D.M. Principles of Adsorption and Adsorption process, John Wiley & sons,
New York (1984).
[10] Babu, B.V. and Gupta, S. Modelling and Simulation for Dynamics of Packed Bed
Adsorption. Proceedings of International Symposium & 57th Annual Session of IICHE in
association with AICHE (CHEMCON-2004), Mumbai (2004).
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Mathematical Modelling of Fixed Bed Adsorption Column For Liquid Phase Solute Effect of Operating Variables

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International Journal of Scientific & Engineering Research, Volume 4, Issue 8, August-2013 811

Mathematical Modelling of Fixed Bed Adsorption Column for Liquid

equilibrium and major contribution to Considering an elemental volume of a bed

Figure 1. Mass balance in element of a fixed bed

Material Balance for Liquid Phase Solute.

Introducing appropriate dimensionless variables:

and substitute them into equation (1)

Put equation (1) and (2) together, we have

Introducing those appropriate dimensionless variable stated above, we have

Initial and boundary condition

Assuming instantaneous equilibrium

put equation (19)into equation (18), we have:

SIMULATION TECHNIQUE nature of boundary condition which is

Particle density (  p ) kg/m3 1970

Maximum adsorption capacity (q m ) mg/g 45.4

Effect of fluid flow rate on simulated

Figure 2. Effect of feed flowrate on simulated breakthrough curve

Figure 3. Effect of bed porosity on simulated breakthrough curve

Figure 4. Effect of particle radius on simulated breakthrough curve

Figure 5. Concentration Profile of MCA in the Solid Phase of the Adsorber

CONCLUSION AND However, increase in flow rate increases

ρp Particle density Kg/m3

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