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Mathematical Modeling and Simulation of Reactive Distillation Column using

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 ISSN: 2055-530X
International Journal of Latest Trends in Engineering, Science and Technology.Volume 1, Issue 6

Mathematical Modeling and Simulation of Reactive Distillation Column

using MATLAB and Aspen Plus®

Kiran D. Patil a, , Bhaskar D. Kulkarni b

a
Department of Petrochemical and Petroleum Engineering,
MAEER’s, Maharashtra Institute of Technology, Paud Road, Kothrud, Pune-411 038, India, E-mail: E-Mail E-E-mail:
[email protected], Tel. No.: +91-20-30273512
b
Chemical Engineering and Process Development Division, National Chemical Laboratory,
Dr. Homi Bhabha Road, Pune-411 008, India

Abstract
and the avoidance of azeotropes are a few of the
Reactive Distillation (RD) is a combination of reaction advantages that are offered by RD. The introduction of an
and distillation in a single vessel owing to which it enjoys in situ separation process in the reaction zone or vice
a number of specific advantages over conventional versa leads to complex interactions between vapour–
sequential approach of reaction followed by distillation. liquid equilibrium, mass transfer rates, diffusion and
Improved selectivity, increased conversion, better heat chemical kinetics, which poses a great challenge for
control, effective utilization of reaction heat, scope for design and synthesis of these systems [2]. RD being a
difficult separations and the avoidance of azeotropes are relatively new field, research on various aspects such as
the few of the advantages offered by RD. Compared with modelling and simulation, process synthesis, column
the conventional process of carrying out reaction and hardware design, non-linear dynamics and control is in
separation sequentially, RD column can favourably progress. The suitability of RD for a particular reaction
influence conversion and selectivity, especially of depends on various factors such as volatilities of reactants
equilibrium reactions. However, there are feasibility and products along with the feasible reaction and
constraints resulting both from thermodynamics and distillation temperature. [3] Hence, the use of RD for
chemistry. The process intensification leads to higher every reaction may not be feasible. Exploring the
complexity and this is especially true for heterogeneously candidate reactions for RD, itself is an area that needs
catalyzed RD with its complex interaction between considerable attention to expand the domain of RD
vapors, liquid and immobilized solid catalyst phase. This processes.
work mainly deals with synthesis of iso-amyl acetate in
RD column. This paper comprehensively reports on both Esterification (e.g. synthesis of iso- amyl acetate/ n-hexyl
simulation work using Aspen Plus® and MATLAB(TM). acetate) has been the model reaction for the research
The simulations were based on the equilibrium-stage studies in reactive distillation. Reaction of acetic acid
approach and, for comparison; a rate-based model is also with higher alcohols falls in a category of typical class of
used. In this paper, the equilibrium model for synthesis of reacting systems. The alcohol is sparingly soluble in water
iso-amyl acetate was developed. The simulation studies and esters and water are almost immiscible. An additional
were performed in Aspen Plus® and MATLAB(TM). The feature is that the ester-water-alcohol forms a ternary
Published experimental data on phase equilibrium and heterogeneous azeotrope, which is minimum boiling.
reaction studies was used to verify the model predictions. Hence, the vapors at the top condense to form two liquid
The experimental results from literature were compared phases of which aqueous phase is almost pure water. One
with model predictions and were found to be close to can conveniently separate water and enhance the
those available in the literature. conversion [4]. The esterification of acetic acid with
Key words: Reactive distillation, reaction kinetics, alcohols like n-butanol, ethanol, isobutyl alcohol, amyl
MATLAB, Aspen plus, model prediction alcohol and hexyl alcohol fall in a typical class of reacting
systems. In the present paper, simulation studies for
esterification reaction of acetic acid with iso amyl alcohol
1. Introduction were studied using MATLAB(TM) and Aspen Plus®.
Reactive Distillation (RD) is a combination of reaction
2. Previous Studies
and distillation in a single vessel owing to which it enjoys
a number of specific advantages over conventional
The recovery of dilute acetic acid from wastewater
sequential approach of reaction followed by distillation or
streams is a major problem in the petrochemical and
other separation techniques. Improved selectivity,
chemical industries [5]. This includes the manufacture of
increased conversion, better heat control, effective
cellulose esters, terphthalic acid, dimethyl terphthalate
utilization of reaction heat, scope for difficult separations
and reactions involving acetic anhydride. Among these

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processes, the process for the manufacture of cellulose acetate. [2] That’s why reactions (1) are well suited for
acetate from acetylation of cellulose by acetic acid, acetic reactive distillation. However, the large boiling
anhydride and sulphuric acid, is typically associated with temperature difference between the reactants can be
a 35% w/w aqueous solution of acetic acid as a waste unfavourable from the reactions point of view.
stream. Terphthalic acid process involves the
concentration even up to 65% w/w if acetic acid in water RD is promising and cost-effective method of separation
([9]. The wood distillation contains much lower for the recovery of dilutes acetic acid from its aqueous
concentrations (1-8 % w/w) of acetic acid. Saha et al., streams. Moreover, a value added product in the form of
presented experimental studies on reactive distillation for Iso-amyl acetate is produced during recovery of acetic
esterification of iso-amyl alcohol with acetic acid on acid by esterification with iso-amyl alcohol. An additional
laboratory RD column [5]. In literature the kinetic studies column will be required for the complete separation of
for heterogeneous catalysed esterification of acetic acid iso-amyl alcohol and iso-amyl acetate. The column would
with Isoamyl alcohol was reported. [7] Chiang et al. not involve water since it has the highest latent heat and
studied the two design alternatives for the amyl acetate hence the energy costs would be minimized. Chiang et al
process, a coupled reactor column and reactive (2002) reported this process is four times more efficient
distillation. [1] Lee et al studied the kinetics of catalytic than conventional process based on Total Annual Cost
esterification of acetic acid with amyl alcohol over (TAC). [1]
Amberlyst 15 and Dowex. [6]
3. Mathematical Modelling
Amyl acetate has been used in the industry as a solvent,
and extractants, and polishing agent. It is used as artificial The esterification of acetic acid (with iso-amyl alcohol) is
flavoring in banana-flavored bubble gums, as preservative considered inside a RD column. The column has a total
in sodas and soft drinks as well as artificial scent for condenser and a reboiler. The theoretical stages are
covering unpleasant odors [5]. It is also used in large numbered from top to bottom. The condenser is
quantities in artificially pear- flavored food articles as represented by stage 1 and reboiler is represented by stage
additive in cigarettes, and as a solvent for tannins, 27. The equilibrium reaction is given by Eq [1] as above.
nitrocellulose, lacquers, celluloid, and camphor. It is also
used to manufacture celluloid cements, water proof 3.1 Model Assumptions:
varnishes, artificial silk, leather or pearls, photographic
The various assumptions made during the development of
films, bronzing liquids and metallic paints, perfuming
model were as follows:
shoe polishes and dyeing and finishing textiles. [7, 8]
1. The vapour and liquid on each plate and leaving on
2.1 Test System: Synthesis of Iso amyl Acetate each plate are perfectly mixed. Moreover, the liquid on
the plate has the same compositions as the liquid
It can be synthesized from acetic acid and amyl alcohol leaving the plate.
via esterification reaction as follows 2. Constant molar liquid holdup is assumed for each stage.
k 3. Molar vapour holdup is negligible in comparison with
CH3-COOH  C5 H11-OH  C5H11-COO-CH 3  H2O (1)
(Acetic acid) (Iso amyl alcohol) (Iso amyl acetate) (Water) the molar liquid holdup.
4. Simple or complex reaction(s) proceed only in the
H2O CH3COOH C5 H11-OH C5 H11  COO-CH3 liquid phase and their rate can be described by an
o o o
appropriate kinetic expression(s). (Preferably second
(100 C) (118 C) (137.8 C) ( 148.8oC)
order reaction kinetics)
5. The liquid phase is in equilibrium with the vapour
Since the self-catalyzed reaction is rather slow, reaction
phase leaving the plate.
(1) is commonly catalyzed using strong inorganic acid,
6. Phase splitting is considered only in the decanter;
like sulphuric acid, or strongly acidic ion exchange resins.
liquid-liquid splitting inside the column is neglected.
Most of previous researcher used acidic cation exchange
7. The reactive zone is considered to be a multistage
resin, for example Amberlyst 15 [1], Purolite CT- 175 [6].
column with six theoretical stages per meter for
KATAMAX catalyst packing. [ 7]
2.2 Why Reactive Distillation?
8. The nonreactive zone is considered to be multistage
The two reactants, acetic acid and amyl alcohol, are column with 22 stages per meter for PRO-PAK
intermediate boilers, whereas the products, water and packing. [7]
amyl acetate, are low and high boilers respectively. As 9. The pressure decrease along the column height is
iso-amyl acetate and water are the heaviest and lightest assumed to be negligible.
boiling substances respectively in the quaternary system,
The third assumption about the vapour holdup is
they can be continuously removed from the reaction zone
reasonable since the column works under atmospheric
in a RD column so that high conversions can be achieved,
pressure. In such conditions, liquid density is much higher
thus RD an attractive process for producing iso-amyl
than vapour density.

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Figure 2 Single stage (j) in the column showing the

Figure 1 RD column for esterification reaction [2] corresponding streams [2]

The first assumption is reasonable for small and medium The Equilibrium equation:
diameter columns in which the liquid on the plates is well
mixed by the flowing vapour phase. However, this yi,j  K i,j xi,j (6)
assumption is not valid, in case of large diameter columns
and a more rigorous model of mixing on plates has to be Where K= equilibrium constant
applied. The assumptions above lead to a model that
consists of a set of ordinary differential and algebraic This gives following equation:
equations (DAE’s). From the mass and energy dynamic
balances on the jth plate according to figure 1, the model is d(x i,j )
derived as follows: M j  V j  1K i,j  1 xi,j  1  L j xi,j  L j  1 xi,j  1  V j K i,j xi,j  ΔRi,j 
dt
The Mass balance of component i around plate j is given (V j  1  L j  L j  1  V j  ΔR j )x i,j
by: (7)
The Energy balance equation around the plate j is given
d(x i,j M j )
 V j  1 yi,j  1  L j xi,j  L j  1 xi,j  1  V j yi,j  ΔRi,j (3) by:
dt
d(H i,j M j )
dx i,j dM j  V j  1hi,j  1  L j Hi,j  L j  1Hi,j  1  V j hi,j (8)
Mj  x  V j  1 yi,j  1  L j x i,j  L j  1 x i,j  1 (4) dt
dt dt i,j
 V j yi,j  ΔRi,j
(8)

dH i,j dM j (9)
This is combined with overall mass balance around plate Mj H i,j  V j  1hi,j  1  L j H i,j  L j  1H i,j  1  V j hi,j
dt dt
J:
This is combined with overall energy balance around
dM j plate J:
 V j 1  L j  L j 1 V j  ΔR j (5)
dt
dH i,j
The subscripts “i” range in value from 1 to the number of M j  V j  1hi,j  1  L j Hi,j  L j  1Hi,j  1  V j hi,j 
dt
components in the mixture. The subscripts j ranges in (V j  1  L j  L j  1  V j  ΔR j )  Hi,j
value from 1 to the number of plates, N.
(10)

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These equations are coupled with algebraic equations for The reaction of iso-amyl alcohol and acetic acid forms a
reaction kinetics and vapour-liquid equilibrium. highly liquid phase azeotropes have been observed
experimentally in the iso amyl acetate system and other
4. Phase Equilibria similar mixtures. [12] To account for nonideal vapour-
liquid equilibrium (VLE) and possible vapour-liquid-
The two reactants, acetic acid and 1-pentanol, are liquid equilibrium (VLLE) for these quaternary systems,
intermediate boilers, whereas the products, water and the NRTL (non random two liquid) model is used for
amyl acetate, are the low and high boilers, respectively. activity coefficients. The NRTL equation is an activity
The non-random two-liquid (NRTL) activity coefficient coefficient model that correlates the activity coefficients γi
model was used for the vapour-liquid-liquid equilibrium. of a compound i with its mole fractions xi in the
(VLLE) for the quaternary system containing acetic acid, concerning liquid phase.The NRTL model predicts the
iso-amyl alcohol, iso-amyl acetate, and water [1]. Vapour presence of these azeotropes and was found to be accurate
liquid equilibrium (VLE) data are available for all of the in estimating their compositions. A reasonable prediction
binary pairs, and liquid-liquid equilibrium (LLE) data for of LL envelope can facilitate possible use of decanter
two ternary systems (acetic acid- iso amyl alcohol, water which is often encountered in esterification reactive
and acetic acid-amyl acetate-water) [7] distillation systems. [13, 14]

Table 1 Binary Parameters of the NRTL Model for Acetic acid (1) + iso-amyl alcohol (2) + iso amyl
Acetate (3) +Water (4) Systems [1]

(j,i) ) Aij (K ) A ji (K )  ij
(1,2) -316.8 178.3 0.17
(1,3) -37.94 214.6 0.2
(1,4) -110.6 424 0.299
(2,3) -144.8 320.7 0.301
(2,4) 100.1 1448 0.298
(3,4) 254.5 2222 0.2

Table 2 Activity Coefficient Models Parameters for iso-amyl Acetate Esterification System [8]

Comp.i HOAC(1) HOAC(1) HOAC(1) ISAMOH(2) ISAMOH(2) ISAMAC(3)

Comp.j ISAMOH(2) ISAMAC(3) H2O(4) ISAMC(3) H2O(4) H2O(4)

bij (K) -316.8 -37.943 -110.57 -144.8 100.1 254.47

bji (K) 178.3 214.55 424.018 320.6521 1447.1 2221.5

cij 0.1695 0.2 0.2987 0.3009 0.298 0.2

Table 3 Azeotrope Data for Iso amyl acetate Esterification System [12]

iso-amyl alcohol iso-amyl acetate iso-amyl alcohol Acetic acid Acetic acid
iso-amyl acetate water water iso-amyl alcohol iso-amyl alcohol
water - - Iso-amyl acetate -
0
94.71 C 94.90°C 95.80°C 139.89°C 140.07°C
(0.0488, 0.1292, 0.822) (0.1696, 0.8304) (0.1512, 0.8488) (0.2225, 0.6108, 0.1667) (0.2585, 0.7415)
94.9°C 95.2°C 95.8°C
(0.046, 0.107, 0.847) (0.166, 0.834) (0.146, 0.854) This is also the reason why the NRTL and UNIQUAC
models are preferred for activity coefficients. Since

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Esterification reaction was carried out at atmospheric operating conditions and the rigorous Aspen Plus
pressure, the vapour phase nonideality considered is the equipment models, one can simulate actual plant
dimerization of acetic acid as described by the Hayden- behaviour. Implementation of model equations and all
O’Conell second virial coefficient model. [11]The NRTL- simulations were carried out using the model RADFRAC
model has been chosen for the description of the phase from the steady-state simulator Aspen Plus, which is
equilibrium data. Table 1 and 2 lists the model parameters based on a rigorous equilibrium-stage model for solving
for the present quaternary system where iso-amyl acetate the MESH equations. The model is both rigorous enough
system is described by the NRTL model. [1] The to represent the process complexity and simple enough to
Azeotrope data for iso amyl acetate esterification system ensure the feasibility of the process simulation.
is given in Table 3. Venkataraman, Chan and Boston (1990) describe the
inside-out algorithm known as RADFRAC that is part of
5. Reaction Kinetics: the commercial program Aspen Plus.[15] Inside-out
methods involve the introduction of new parameters into
Lee et al (1999) reported the kinetic expressions for amyl the model equations to be used as primary iteration
acetate synthesis over Amberlyst 15 is used for simulation variables. RADFRAC is able to handle both equilibrium
work [6]: reactions as well as kinetically limited reactions.

r  ( k f CCH3COOH .CC5H11OH  kb CC5H11COOCH3 .CH2 0 ) (11) In built RADFRAC model for reactive distillation is used
to simulate the equilibrium model in Aspen plus
environment. The simulation is begun by putting together
k f  17500e-6223 .2 /T (12) a basic flow sheet of a RADFRAC column with input
kf streams of acetic acid and iso amyl alcohol and output
K eq  13.9e 777 /T (13) streams on iso amyl acetate and water. The
kb thermodynamic properties are calculated using the NRTL
K eq 1.6 (T 363K) (14) model The Hayden–O’Connell second virial coefficient
where m = mass of catalyst (kg) model with association parameters was used to account
for the dimerization of acetic acid in the vapour
Patil et al, (2010) reported the kinetic expression for iso- phase.[11] The Aspen Plus built-in association
amyl acetate synthesis over ion exchange resin (T-63) is parameters are employed to compute fugacity
given by [2] : coefficients. Such deviations are mainly caused by the
dimerization of the acetic acid. A reaction rate for
  41.88  (15)
k1  3.54  10 3 exp   Pseudohomogenous model calculated by laboratory batch
 RT  reactor is used for simulation to yield a steady state
solution.
6. Solutions of Model Equations
6.2.1 Simulation Results for Model with Decanter:
6.1 MATLAB Simulation
In this model physical equilibrium is assumed on each
The model equations form a mixed set of set of ordinary stage and the reaction kinetics at each stage is described
differential equations (ODE’s) and algebraic equations. by a Pseudohomogenous reaction kinetic model. In this
The equations for 27 stages for the system and four- model, decanter is used for separation of two immiscible
component system can be solved in MATLAB by ODE phased that are formed in the condenser. The basic
15 S solver (which is an ordinary differential and process flow sheet for iso-amyl acetate synthesis in Aspen
algebraic equation (DAE) solver for stiff equations, plus environment for this model is as shown in Figure 3.
variable order method) and using Aspen plus simulation.

6.2 Aspen Plus® Simulation

Aspen Plus is a sequential modular simulation package,

contains an extensive model library that allows most unit
operations to be simulated easily and accurately. Despite
the fact that a column equipped with structured packing,
very good results were obtained using this model. Each
unit operation block is solved in certain sequence. The
process simulation capabilities of Aspen Plus enables us
to predict the behaviour of a process using basic
engineering relationships such as mass and energy
balances, phase and chemical equilibrium, and reaction Figure 3 RADFRAC Model for iso-amyl acetate
kinetics. With reliable thermodynamic data, realistic Synthesis with Decanter in Aspen plus Environment

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The iso-amyl acetate reactive distillation column is The figure 4 and 5 shows comparison of typical
simulated using decanter. A Pseudo-homogenous kinetics composition profiles obtained by MATLAB and Aspen
model is used to describe the rate equation. The decanter plus.
model of Aspen Plus is used for the decanter simulation.
All the simulations are performed using steady state 7. Results and Discussions
simulator.
As can be seen from the simulation results as shown in
6.2.2 Base specification in Aspen Plus Simulation figure 4 and 5, conversion of 99.5% of iso-amyl acetate,
with iso amyl acetate purities of 88.4 % was achieved.
Molar flow rates: The extremely low concentration of water in the reactive
Feed 1 (Acetic acid) : 0.03200 zone helps reaction to proceed near completion. The
kmol/hr composition at position 7 comprises of two phases viz.
Feed 2 (iso amyl alcohol) : 0.03500 organic and aqueous phase. Figure 5 shows the mole
kmol/hr fractions of acetic acid, iso amyl alcohol, iso amyl acetate
Mole ratio (Acetic acid/ Alcohol) : 0.5384 and water in the liquid phase. In the reaction zone (stages
Reboiler Duty : 1.12 kW 10 to 15), iso amyl alcohol is consumed, and as a result,
Pressure : 1 atm its mole fraction decreases. Stages 15 and 16 show the
Number of stages : 27 transition between the reaction and stripping zones in the
Reactive zone stages : 10-15 column. In the stripping zone, iso amyl acetate and iso
Stripping section stages : 16-26 amyl alcohol are being separated, resulting in the higher
Rectification section stages : 2-9 concentration of iso amyl acetate in the bottoms. High
Feed stage location: : mole fractions of iso amyl acetate are obtained in the
Feed 1 location (Acetic acid) : 15 (below liquid phase. This is desirable since iso amyl acetate is the
reactive zone) product of interest.
Feed 2 location (iso amyl alcohol) : 10 (above
reactive zone)

Acetic acid iso amyl alcohol Water iso amyl acetate

Acetic acid iso amyl alcohol Water iso amyl acetate 1
1
0.8
Mole fraction of
components(yi)

0.8
Mole fraction of
components(xi)

0.6

0.6 0.4

0.4 0.2

0.2 0
1 3 5 7 9 11 13 15 17 19 21 23 25 27
0
Stage Number
1 3 5 7 9 11 13 15 17 19 21 23 25 27
Stage Number

Figure 4 Steady State Composition Profiles(MATLAB) Figure 5Acetic

Steadyacid State
iso amyl alcohol
CompositionWater Profiles(Aspen)
iso amyl acetate
1

0.8
Mole fraction of
components(yi)

0.6 mole fraction of acetic acid by EQ Model # C mole fraction of acetic acid by Experiment
mole fraction of iso amyl alcohol by EQ Model #C mole fraction of iso amyl alcohol by Experiment
160
0.4 mole fraction of w ater by EQ Model # C mole fraction of w ater by Experiment
mole fraction of iso amyl acetate by Model # C mole fraction of iso amyl acetate by Experiment
Steady state temperature ( C )

140 1
0.2
0

Mole fraction of components (xi)

120 0.8 0

1 3 5 7 9 11 13 15 17 19 21 23 25 27
100 0.6
Stage Number
80 0.4

60 0.2
Aspen Plus
Experiment
40 0
2 4 6 8 10 12 14 16 18 20 22 24 26 28 1 3 5 7 9 11 13 15 17 19 21 23 25 27
Stage number Stage Number

[a] Steady State Temperature Profile [b] Steady State Composition Profile

Figure 6 Comparisons of Simulation and Experimental Results for Temperature and Composition Profiles

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Figure 6 (a) shows the temperature profile obtained when Q heat duty, J s-1
the equilibrium model # A is employed. The reaction zone r number of reactions, dimensionless
was located at the middle of the column and is comprised rj ratio of side stream flow to inter stage
of stages 10 to 15. The remaining stages are pure flow on stage j, dimensionless
Rm,j reaction rate, mol m-3 s-1
separation stages. A smooth temperature profile is R reflux ratio
observed in the reactive zone where the catalyst is located. t time, s
An important region is the reactive zone, where the T temperature, K
catalyst is located. In all the runs, the temperature in v reaction volume (liquid hold-up)
reactive zone is in the range of 120-130oC. Sufficiently vo volumetric flow rate entering the stage
high temperature ensure reaction to be at the chemical V vapour flow rate, mol s-1
equilibrium and driven by distillation. The temperature is x mole fraction in liquid phase,
below the limit set by the thermal stability of the catalyst dimensionless
(1350C) (TULSION MP T-63, Thermax Ltd., India). [16] y mole fraction in vapour phase,
dimensionless
The temperature and composition profiles for this system
from the equilibrium model are compared with Subscripts
experimental data under the same conditions. Comparison
of the experimental data with simulation results indicated
i component index
that an equilibrium stage model is capable of describing I referring to interface
the column profiles quantitatively. The same model j stage index
(Model with decanter) and simulator are used further to t total
predict the performance of the column. D distillate
n stage
8. Conclusion k base component (Acetic Acid)
The equilibrium model for synthesis of iso amyl acetate
was developed. The simulation studies were performed in References
Aspen Plus® and MATLAB™. The published
experimental data on phase equilibrium and reaction [1] Chiang S. F., Chien Lin Kuo, Cheng Ching Yu, D. S. H.
studies was used to verify the model predictions. The Wong,, “Design alternative for the amyl acetate process:
experimental results from literature were compared with coupled reactor/ column and reactive distillation”, Ind.
model predictions and were found to be close to those Eng. Chem. Res., 41, 2002, pp 3233-3246.
available in literature. [2] Kiran D. Patil, (2010), “Studies in Reactive Separations”,
Ph.D. Thesis, University of Pune, India, pp 293
[3] Taylor, R., R. Krishna, “Modeling reactive distillation”,
Acknowledgements Chem. Eng. Sci, 55, 2000, pp 5183-5229.
[4] Hiwale, R. S.; Bhate, N. V.; Mahajani, Y, S.; Mahajani,
The author is grateful to BCUD, University of Pune and S. M. Industrial Applications of Reactive Distillation:
Recent Trends. Ind. J. Chem. Reactor Eng., R1, 2, 2004,
AICTE, New Delhi for financial support under RPS pp 1-17.
scheme grant No. RPS 18/2007.The author acknowledge [5] M. M. Sharma and S. M. Mahajani, "Industrial
Thermax India Ltd., Pune for sponsoring the catalyst for applications of Reactive Distillation" (A review), in
this work. "Reactive Distillation: Status and Future Directions" by
Sundmacher K. and Kienle A. (Eds), Wiley VCH,
Notations Germany 2003.
[6] Sundmacher, K., Kienle, A., Eds, “Reactive Distillation-
Status and Future Trends”, Wiley-VCH: New York,
2003.
c number of components, dimensionless
[7] Teo, H. T. R., B. Saha and A. Alqahtani, “iso-Amyl
C molar conversion fraction of the
acetate synthesis by catalytic distillation”, International
reactant
Journal of Chemical Reactor Engineering, 3, 2005,
E energy flux, W m-2
Article A11, pp 1-14.
FV vapour feed stream, mol s-1
[8] Lee, M. J., Wu, H.T. and Lin, H-M, “Kinetics of
FL liquid feed stream, mol s-1
catalytic esterification of acetic acid and amyl alcohol
f component feed stream, mol s-1
over Dowex”, Industrial and Engineering Chemistry
h heat transfer coefficient, W m-2 K-1
Research, 39, 2000, pp 4094-4099.
H molar enthalpy, J mol-1
[9] Teo, H. T. R., and B. Saha, “Heterogeneously catalyzed
k1 pseudo-first-order reaction rate
esterification of acetic acid with iso-amyl alcohol: kinetic
constant, s-1
studies”, Journal of Catalysis, 228, 2004, pp 174-182.
K vapor-liquid equilibrium constant,
[10] Bianchi, C. L., Ragaini, V., Pirola, C. and Carvoli, G.,
dimensionless
“A new method to clean industrial water from acetic acid
L liquid flow rate, mol s-1
via esterification”, Applied Catalysis B: Environmental,
M molar hold-up, mol
2003, 40, pp 93-99

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