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Article history: A state-of-the-art sequential modular approach towards the modeling of a complex three-phase uidized
Received 28 April 2011 bed bioreactor has been introduced. The aim was to simulate the fermentation process of glucose for
Received in revised form 26 October 2011 ethanol production using immobilized yeast in a gasliquidsolid three-phase bioreactor. According to
Accepted 26 November 2011
the newly-introduced dimensionless number (ASh number), a uidized bed bioreactor was divided into
Available online 4 December 2011
several sections in which the three phases of emulsion, wake, and bubble were modeled parallel to each
other. In the proposed model, two sub-models, namely, hydrodynamic and chemical reaction sub-models,
Keywords:
were integrated to take the governing physical and chemical phenomena into account. Emulsion, wake,
Three-phase uidized bed
Sequential modular simulation
and bubble phases were considered as CSTR (continuous stirred-tank reactor), PFR (plug ow reactor),
Bioreactors and bypass ow, respectively. Afterwards, mass transfer was taken into account right at the outlet of each
Ethanol production section. The simulation results were compared with the experimental data derived from the literature in a
Glucose wide range of gas velocity, liquid ow rate, biocatalyst particle size, and the concentration of glucose in the
feed stream, which showed a great consistency. The simulation approach proposed in this study proved
to be applicable in predicting the behavior of industrial three-phase uidized bed reactors successfully.
2011 Elsevier B.V. All rights reserved.
2. Reactor model
Corresponding author. Tel.: +98 21 6697 6863; fax: +98 21 6646 1024.
E-mail addresses: amir.sheikhi@mail.mcgill.ca (A. Sheikhi), sotudeh@ut.ac.ir
(R. Sotudeh-Gharebagh).
Farag et al. [2] used the dispersion model to obtain mass and
1
Present address: Department of Chemical Engineering, 3610 University Street, energy balance equations for a three-phase uidized bed reac-
McGill University, Montreal, Quebec H3A 2B2, Canada. tor considering three phases of emulsion, wake, and bubble. Their
1369-703X/$ see front matter 2011 Elsevier B.V. All rights reserved.
doi:10.1016/j.bej.2011.11.010
96 A. Sheikhi et al. / Biochemical Engineering Journal 63 (2012) 95103
Nomenclature
Uw wake velocity (m/s)
A cross-sectional area of bioreactors (m2 ) V(i) volume of ith stage (m3 )
Ab bubble cross-sectional area (m2 ) WB mass of solid in the bed (kg)
Ae emulsion cross-sectional area (m2 ) Xi experimental values
Aw wake cross-sectional area (m2 ) X mean value of experimental data
Ar Archimedes number (gdp3 l (s l )/2l ) Yi predicted values
AR aspect ratio (h/DB ) Y mean value of predicted data
ASh newly-introduced dimensionless number to obtain YEG stoichiometric yield coefcient of ethanol over glu-
the optimum number of stages cose (g-ethanol/g-glucose)
BIAS bias between the model predictions and experimen-
tal data Greek letters
Cab ethanol concentration in bubble phase (kg/m3 ) b volume fraction of bubbles
Cae ethanol concentration in emulsion phase (kg/m3 ) w volume fraction of wake
Caw ethanol concentration in wake phase (kg/m3 ) g volume fraction of gas
CC correlation coefcient l volume fraction of liquid in emulsion
Cce critical concentration of ethanol (kg/m3 ) mf volume fraction of liquid in emulsion at minimum
Cgb glucose concentration in bubble phase (kg/m3 ) uidization
Cge glucose concentration in emulsion phase (kg/m3 ) s volume fraction of solids
Cgf glucose concentration in feed (kg/m3 ) w volume fraction of liquid in wake
Cgw glucose concentration in wake phase (kg/m3 ) l viscosity of liquid phase (Pa s)
Cy yeast concentration (kg/m3 ) l kinematic viscosity of liquid (m2 /s)
D diffusivity of glucose in liquid phase (m2 /s) g gas density (kg/m3 )
DB bed diameter (m) s solid density (kg/m3 )
Fb mole ow of bubble phase (mol/s) l liquid density (kg/m3 )
Fe mole ow of emulsion phase (mol/s) sphericity of particles
Fw mole ow of wake phase (mol/s)
dp particle diameter (m)
Frp,g particle Froud number (Ug / gdp ) mathematical approach led to several coupled differential equa-
h bed height (m) tions. El-Halwagi et al. [16] presented a three-phase model for the
HB loaded-solid height (m) simulation of a two-phase uidized bed reactor. In their approach,
Kbe bubble-to-emulsion mass transfer coefcient (1/s) emulsion, cloud, and bubble phases were considered as ideal
Kbw bubble-to-wake mass transfer coefcient (1/s) reactors. Kobayashi and Nakamura [17] proposed a mathematical
Ks Monod constant (kg/m3 ) model to predict the process of direct starch-to-ethanol production
Kwe wake to emulsion mass transfer coefcient (1/s) by immobilized yeast and concluded that by using immobilized
n number of stages biocatalysts, rather than free cells, an order-of-magnitude-higher
N number of observations production could be achieved. From the kinetic point of view,
N1 mass ow rate of glucose from wake to emulsion starch-to-ethanol direct conversion was studied by Kroumov et al.
phase (1/s) [18]. They introduced a mathematical model to determine the
N2 mass ow rate of ethanol from wake to emulsion kinetics of this bioconversion based on two-hierarchic-level mod-
phase (1/s) eling, which described starch-to-glucose enzymatic conversion
N3 mass ow rate of ethanol from bubble to emulsion (using bifunctional protein) and glucose-to-ethanol bioconver-
phase (1/s) sion (using yeasts). Although the rst step is not the case of
N4 mass ow rate of ethanol from bubble to wake phase present study, lots of interesting literature can be found on the
(1/s) starch-to-ethanol simultaneous saccharication and fermentation
P reactor operating pressure (Pa) [1927].
Rae rate of ethanol production in emulsion phase Three-phase bioreactors, evidently, include three phases: liquid
(kg/(m3 s)) phase, which is usually a reactant, solid phase, which consists of
Raw rate of ethanol production in wake phase (kg/(m3 s)) (bio-)catalyst or sorbent, and gas phase, that can be applied as a
Rge rate of glucose consumption in emulsion phase reactant or just as an inert gas to provide better mixing patterns. In
(kg/(m3 s)) the present work, glucose, in liquid form, is injected to the bottom
Rgw rate of glucose consumption in wake phase of a bioreactor, and yeast particles, which are fed from the top of the
(kg/(m3 s)) reactor, play the role of biocatalyst and exist in the whole bed. Feed
Rep,l particle Reynolds number (l Ul dp /l ) gas enters the bioreactor from bottom-side along with the liquid
Sc Schmidt number phase in order to uidize the solid particles and ease up reaction
SI scatter index between the liquid and the solid. The conversion reaction of glucose
T reactor operating temperature (K) into ethanol is as follows:
Ub bubble velocity (m/s) yeast
Ue emulsion velocity (m/s) C6 H12 O6 2C2 H5 OH + 2CO2 (1)
Ug supercial gas velocity (m/s) A schematic of a typical uidized bed bioreactor is shown in
Ul supercial liquid velocity (m/s) Fig. 1. Glucose and air pass through a distributor to ensure uniform
Umax maximum specic ethanol production rate velocity and temperature proles. Possible interactions among the
(kg/(kg s)) three phases of emulsion, wake, and bubble are shown in Fig. 2. Due
umf minimum uidization velocity (m/s) to the non-ideal behavior of a uidized bed bioreactor, it cannot
be considered as either a plug ow reactor (PFR) or a continuous
A. Sheikhi et al. / Biochemical Engineering Journal 63 (2012) 95103 97
(1) The reaction takes place isothermally due to the high mixing
Column liquid recycle
rate of the phases within the emulsion and wake.
Gas bubbles: Ub, g (2) The bubble phase is free from glucose and yeast [28].
(3) The velocity of bubble and wake phase is the same [29].
(4) Produced ethanol is distributed among the three phases due to
h its high volatility.
(5) Bubble phase (mixing enhancer) participates only in mass
transfer among the present phases.
Liquid phase: l, l
In the modular simulation of uidized bed bioreactors, emul-
sion phase was considered as a CSTR since it undergoes a vigorous
mixing. Also, because of the movement of gas through the emul-
sion phase in the uidized bed reactor, this phase can be considered
as plug ow [30,31]. According to the third assumption, wake and
bubble phase velocities are equal because the wake is formed by
DB bubble phase displacement carrying some amount of solids behind
itself [32]. So, glucose conversion can be considerable in the wake
phase due to the presence of both solid catalyst and liquid sub-
Solid strate. Therefore, the wake phase was assumed to be in the form of
dp, s,
phase: plug ow reactor in this work.
In contrast to two-phase uidized beds in which the bubble
HB
phase is usually considered as a plug ow reactor [33,34], it is
Gas-liquid treated as a bypass ow in three-phase uidized beds [28]. Such
assumption was based on the fact that the gas phase, in ethanol pro-
distributor
duction three-phase bioreactor, does not participate in the reaction
Air: Ug and plays the role of phase-mixer. In addition, according to the sec-
Liquid substrate: Ul, Cgf ond assumption, bubble phase is free of solids and liquid. However,
mass transfer among the bypass ow and the other phases affects
the performance of the reactor. This will be discussed in details later
Engagement as a part of hydrodynamic sub-model.
section
2.1. Governing equations
Fig. 1. Schematic diagram of a three-phase uidized bed bioreactor.
Governing equations were derived using mass balance in each
reactor phase. The molar balance in the emulsion phase is described
for glucose and ethanol, respectively, as follows:
Fb,out Fw,out Fe,out Cge(i1) Ue Ae + Rge(i) l [1 (b + w )]V(i) Cge(i) Ue Ae = 0 (2)
Also, the molar balance for ethanol and glucose, respectively, in the
wake phase is described as:
zi
Caw(i1) Uw Aw Aw w Raw(i) dz Caw(i) Uw Aw = 0 (4)
zi1
Bubble Wake Emulsion
zi
phase phase phase Cgw(i1) Uw Aw Aw w Rgw(i) dz Cgw(i) Uw Aw = 0 (5)
zi1
Table 1
The required hydrodynamic parameters.
Mass
transfer
Mass
transfer
ith Stage
Mass
transfer
Flow distributor
subroutine
Mass
transfer
Wake Emulsion
Bubble
(PFR) (Completely-mixed)
(Bypass
flow)
According to assumption 4, ethanol can be transferred among emulsion and wake phases, Rae and Raw , were calculated from the
all phases. Therefore, ethanol concentrations in the three phases following expressions:
are as follows:
Cge(i) Cae(i)
Cae(i+1) = Cae(i) + (N2 N3 )Ue Ae (8) Rae(i) = Umax + Cge(i) 1 Cy (15)
Ks Cce
Caw(i+1) = Caw(i) + (N2 N4 )Uw Aw (9)
Cab(i+1) = Cab(i) + (N3 + N4 )Ub Ab (10) Cgw(i) Caw(i)
Raw(i) = Umax + Cgw(i) 1 Cy (16)
Ks Cce
The rate of glucose mass transfer between the emulation and wake
phases can be described as:
In Eqs. (15) and (16), Cy is yeast concentration which is the same
N1 = Kwe (Cgwi Cgei )V(i) w (11) in both emulsion and wake phases. Using high concentration of
glucose, ethanol production rate turns to a zero-order rate with
Moreover, ethanol mass transfer rates among the phases are: respect to glucose concentration. Glucose consumption rates were
N2 = Kwe (Cawi Caei )V(i) w (12) obtained from Eqs. (17) and (18) [2]:
The mass transfer among the phases was calculated as illustrated Raw(i)
Rgw(i) = (18)
in Fig. 4. As soon as the mass transfer was calculated, the corre- YEG
sponding ow distribution in each section was evaluated and the
computation was moved to the next section (i + 1). The calculations in which, Rge and Rgw are glucose consumption rates in the emul-
were continued upward until the top of the bed was reached. sion and wake phases, respectively, and YEG is stoichiometric yield
coefcient of ethanol over glucose, which was measured experi-
2.3. Kinetic sub-model mentally and reported to be 0.511 [2]. Ks expresses Monod constant
(0.59 kg/m3 ), and critical ethanol concentration, Cce , is the max-
Ethanol production from glucose is a reversible reaction that imum allowable ethanol concentration above which cells do not
obeys Monod kinetics [39]. Ethanol production rates in the grow, which is reported to be 0.76 kg/m3 [2,40].
100 A. Sheikhi et al. / Biochemical Engineering Journal 63 (2012) 95103
Table 2
The experimental operating conditions.
Table 3 Table 4
Number of stages dened by ASh dimensionless number. BIAS, scatter index (SI), and correlation coefcient (CC) of model results and different
experiments.
Range n
Reactor results BIAS SI CC
13.6 ASh 1
7.4 ASh < 13.6 2 Conversion [41] 0.06 0.07 0.99
4.8 ASh < 7.4 3 Conversion [9] 0.03 0.015 0.87
ASh < 4.8 4 Ethanol yield [41] 0.01 0.05 0.95
Ethanol yield [9] 0.02 0.04 0.89
optimum number of stages required to simulate the uidized bed
bioreactors:
Measured errors, presented in Table 4, are small and acceptable
0.4 1.5
Rep,l Cce so that they conrm the validity of the model.
ASh = 3 103 AR2 (19) Fig. 8 illustrates efuent ethanol concentration as a function of
Arl Frp,g 2 Cgf
glucose concentration in the feed. As can be seen, by increasing
in which, Rep,l is particle Reynolds number, Arl denotes Archemedes glucose concentration in the feed, ethanol concentration increases
number of particles in the liquid, Frp,g represents Froud number of in the efuent. However, at high glucose concentrations, reaction
particles with respect to gas ow, and AR shows the aspect ratio of rate turns into zero-order with respect to glucose concentration.
bed. The relationship between the number of stages and the dimen- Therefore, ethanol concentration remains constant. It should also
sionless number, ASh, in various operating conditions of uidized be noted that high ethanol concentration in efuent may result
bed bioreactors is presented in Table 3. In each case, all affecting in low productivities [47]. Moreover, this kind of inhibition, espe-
parameters, except one, for example glucose concentration in the cially at high product rates, is usually damaging free cells more
feed, considered to be constant, and then, a desired parameter was than immobilized ones [47], thus particulate biocatalysts in bio-
manipulated to calculate the proper effect of it on the dimension- uidized beds seems to be a promising solution. Fig. 9 illustrates
less number. parity plot of calculated against experimental ethanol yields. In
The parity plot of predicted against experimental conversions general, the predicted values by the model are satisfactory, e.g.,
[9,41] is also presented in Fig. 7. It can be seen in this gure that the
model predictions are in a close agreement with the experimental
results. In addition, the performance of the model was evaluated 80
quantitatively using error statistics such as BIAS and Scatter Index
(SI), dened as Eqs. (20) and (21), respectively:
[Effluent ethanol] (kg/m3)
70
N
1
BIAS = (Yi Xi ) (20)
N
i=1 60
N
(1/N) i=1
(Yi Xi )2
SI = (21) 50
X i
where Xi and Yi denote the experimental and predicted values, 40 experiment [9]
respectively, and N is the number of observations. X is the mean
Model
value of the experimental data. Also, correlation coefcient (CC) is
calculated for each case based on Eq. (22); 30
N 75 100 125 150 175 200 225 250
(Xi X)(Y
i Y)
CC = i=1
(22) C gf (kg/m3)
N
N
2
(X X) (Y Y )
2
i=1 i i=1 i Fig. 8. Efuent ethanol concentration as a function of glucose concentration in the
feed.
in which, Y is the mean value of the predicted data.
100 52
Experiment [9]
Ethanol production yield (%) (model)
Experiment [9]
Glucose conversion (%) (model)
96 46
44
94
42
40
92
38
90 36
90 92 94 96 98 100 36 38 40 42 44 46 48 50 52
Glucose conversion (%) (experiment) Ethanol production yield (%) (experiment)
Fig. 7. Comparison of experimental data with model prediction in the term of glu- Fig. 9. Comparison of experiment data with model prediction in the term of ethanol
cose conversion. production yield.
102 A. Sheikhi et al. / Biochemical Engineering Journal 63 (2012) 95103
23 59
Experiment [9]
22 Model
57
55
20
53
19
51
18
49 experiment [42]
17
Model
16 47
0.895 0.905 0.915 0.925 0.935 0.945 0.955 0.965 0.15 0.18 0.21 0.24 0.27 0.3
l/s
(U g /U l ) 0.5
Fig. 10. Ethanol concentration as a function of liquid-to-solid density ratio.
Fig. 12. Efuent ethanol concentration as a function of gas-to-liquid ow rate ratio.
Acknowledgement
90
We would like to thank Professor Navid Mostou for his kind
help and valuable comments.
85
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