Applied Thermal Engineering 150 (2019) 1273–1296

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Applied Thermal Engineering

journal homepage: www.elsevier.com/locate/apthermeng

Research Paper

Multi-objective optimization of vapor recompressed distillation column in T

batch processing: Improving energy and cost savings
Sidharth Sankar Parhia, Gade Pandu Rangaiahb, Amiya K. Janaa,
⁎

a
Energy and Process Engineering Laboratory, Department of Chemical Engineering, Indian Institute of Technology – Kharagpur, 721302, India
b
Department of Chemical and Biomolecular Engineering, National University of Singapore, 117585, Singapore

HIGHLIGHTS

• Heat integration in batch distillation through vapor recompression.

• Multi-objective optimization to improve energy and cost savings.
• Elitist non-dominated sorting genetic algorithm.
• Illustrated by a nonreactive and a reactive example system.

ARTICLE INFO ABSTRACT

Keywords: This works aims at formulating a multi-objective optimization (MOO) strategy to improve the energetic and
Vapor recompressed batch distillation economic potential of a batch distillation through vapor recompression. The optimization strategy is developed
Factorial design methodology based on elitist non-dominated sorting genetic algorithm along with the selection of an optimal point im-
Elitist non-dominated sorting genetic algorithm plementing the technique for order of preference by similarity to ideal solution method by using entropy in-
Energy savings
formation for weighting. The factorial design methodology is incorporated to find the dominating variables,
Total annual cost savings
which are further utilized for the formulation of MOO problem. Process optimization involves two or more
objectives, which are often conflicting in nature that leads to many equally-good optimal solutions from the
perspective of the given objectives. Here, two conflicting performance criteria, i.e., total annual cost and total
annual production are proposed as two objective functions. With this, we first optimize a conventional batch
distillation (CBD) followed by its retrofitted scheme with vapor recompression. Then, we propose an optimal
vapor recompressed batch distillation keeping in mind the case of setting up a new plant. Finally, the energetic
and economic potential of the vapor recompression based schemes are evaluated with reference to the CBD by
simulating and optimizing a nonreactive and a reactive example system.

1. Introduction
There is an exponential rise of energy demand mainly due to rapid
industrialization and infrastructure development, especially in devel-
oping countries. This, in turn, leads to a potential threat to humanity in
the form of global warming as the majority of the world’s energy de-
mand is still accomplished by combustion of fossil fuels. The stringent
environmental policies and fluctuating crude oil prices pose numerous
obstacles for the energy-intensive chemical industries [1,2]. The in-
evitability to reduce the harmful consequences of climate change has
compelled to make further advancement in process technology in terms
of energy efficiency and eco-friendliness [1].
Distillation has embarked as the breakthrough for industrial
revolution ever since it has been used as a method for separating binary
and multicomponent liquid mixtures into pure components. Currently,
it consumes around half of the total energy used in petroleum and
chemical industries worldwide. Distillation accounts for around 50% of
the total capital and operating cost in chemical processes [3]. The in-
take of energy and CO2 liberation rate are directly proportional to each
other. This is because the energy requirement is mostly fulfilled by
combustion of fossil fuels. Hence, an attempt has been made to in-
vestigate the energy and cost minimization in batch distillation [4].
Various heat integration concepts for continuous flow distillation
column have been proposed, such as vapour recompressed column
(VRC) [5–7], bottom flashing [5,8,9], internally heat integrated dis-
tillation column (HIDiC) [10–12] and dividing-wall column (DWC)

⁎
Corresponding author.
E-mail address: akjana@che.iitkgp.ernet.in (A.K. Jana).

https://doi.org/10.1016/j.applthermaleng.2019.01.073
Received 4 October 2018; Received in revised form 21 January 2019; Accepted 23 January 2019
Available online 25 January 2019
1359-4311/ © 2019 Elsevier Ltd. All rights reserved.
S.S. Parhi et al. Applied Thermal Engineering 150 (2019) 1273–1296

Nomenclature n var no. of variables

no no. of objectives
Abbreviation P total pressure (mm Hg)
P sat vapor pressure (mmHg)
CBD conventional batch distillation QR reboiler heat duty (kJ/min)
CI capital investment ($) R universal gas constant (J/mol·K)
DWC dividing-wall column T temperature (K)
HIDiC internally heat integrated distillation column TLMTD logarithmic mean temperature difference of a heat ex-
M&S Marshall and Swift cost index changer (K)
MOO multi-objective optimization U overall heat transfer coefficient (W/m2·K)
NSGA II elitist non-dominated sorting genetic algorithm V vapor flow rate (mol/min)
OC operating cost ($/year) wc coolant flow rate (kg/min)
RR reflux ratio (mole basis) ws steam flow rate (kg/min)
SOO single-objective optimization x liquid phase composition (mole fraction)
TAC total annual cost ($/year) y vapor phase composition (mole fraction)
TAP total annual production (kmol/year) liquid phase activity coefficient
TOPSIS technique for order of preference by similarity to ideal Murphree tray efficiency
solution latent heat (J/mol)
VRBD vapor recompressed batch distillation
Subscript
Symbol
con condenser
A area of heat exchanger (m2) i component index
Cp heat capacity (kJ/kg·K) n tray index
D distillate flow rate (mol/min) reb reboiler
Dc column diameter (m) s steam
hT tray stack height (m)
k thermal conductivity (W/m·K) Superscript
L liquid flow rate (mol/min)
LC height of column (m) L liquid phase
m liquid holdup on tray (mol) V vapor phase

[13,14]. But very few works have reported the thermal integration of
batch distillation [15,16]. For example, Babu and co-authors [15] have
proposed the heat pump assisted VRC system, and Jana and co-workers
[17,18] have suggested the concept of concentric reboiler in a column.
Recently, bottom flashing [19,20] and dividing wall [21,22] in batch
processing have also been investigated. Clearly, there is a research gap
in optimizing the heat integrated batch distillation for improving en-
ergetic and economic potential.
Over the years, intuition and experience based heuristic approach
has been used for the development and operation of batch distillation
column. It is true that an optimal operating condition of a batch dis-
tillation may lead to running the column efficiently in terms of both
utility consumption and cost. Moreover, optimizing the operation and
design variables will have a substantial impact on product quality and
productivity.
To meet this objective, optimization problems are formulated using
typically either the rigorous or shortcut model. The accuracy involved
with the rigorous model is usually more compared to that with the
shortcut model [23]. However, the major drawback of the former
model is its complex nature and high computational effort. Numerous
analyses have been reported to reduce the computational cost with the
use of advanced solving techniques based on approximate model
[24–28]. In this light, predominantly, the shortcut models are solved by
decomposing the mixed-integer dynamic optimization (MIDO) problem
into nonlinear programming problem (NLP) [29–32]. Sequential
quadratic programming (SQP) has been employed to solve the sub-
optimization problems by presenting two-loop algorithm approaches
[33,34]. An outer approximation/augmented penalty technique has
been applied to address a finite dimensional mixed integer nonlinear
programming (MINLP) design problem [35]. With this, Kim [36] has
employed the NLP technique to optimize the operational variables for
different column sizes.
Considering of multiple objectives is inevitable for a separation
process to simultaneously achieve desired product quality with higher
productivity, energy efficiency and profitability. With this, it is noticed
that although numerous applications of multi-objective optimization
(MOO) have been reported for continuous chemical processes [37,38],
very few studies [39,40] have reported MOO in batch distillation.
An effective optimization strategy needs to be formulated for easier
and faster convergence along with an efficient decision-making ability.
In this light, employing the entropy weighting method along with the
technique for order of preference by similarity to ideal solution
(TOPSIS) for the selection of an optimal point fastens the decision-
making process. Further, the use of non-dominated sorting genetic al-
gorithm (NSGA-II) is likely to give us the global optimal solutions for
the conflicting objectives [41]. It is thus recommended for the transient
processes, like batch distillation. Among various advanced optimization
algorithms, NSGA-II outperforms the other existing approaches, such as
Pareto-archived evolution strategy (PAES) and strength-Pareto evolu-
tionary algorithms (SPEA) [41], in terms of finding a diverse set of
solutions and the convergence near the true Pareto-optimal front. Based
on our knowledge, there is no optimization study reported so far em-
ploying NSGA-II to optimize cost and production related objective
functions through MOO for the transient batch distillation (CBD) and its
heat integrated counterpart to find the best operating and design con-
ditions. It is with this intention that the present work has been under-
taken.
In this contribution, we propose an optimal vapor recompression
scheme for batch processing in a distillation column. The aim is to have
the flexibility of either retrofitting the existing CBD with VRC or setting
up a new plant with vapor recompressed batch distillation (VRBD). For
both these schemes, we formulate a MOO strategy based on NSGA-II
algorithm aiming to improve the performance from energy efficiency
and economic perspective. Considering two performance criteria,

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namely total annual cost (TAC) and total annual production (TAP), in dmn xn, i
= Ln + 1 xn + 1, i + Vn 1 yn Ln x n , i Vn yn, i + Rf i rn
the first step, the MOO strategy is framed to select the dominating dt 1, i n
(2)
parameters by full-factorial analysis and formulate the optimization
problem by using those dominating variables. In the second step, the Energy balance
multi-objective optimizer (NSGA-II) performs the optimization to gen-
dmn HnL, i
erate non-dominated solutions or Pareto-optimal front. Finally, one = Ln + 1 HnL+ 1, i + Vn L
1 Hn 1, i Ln HnL Vn HnV, i + Rf i rn n Hnr
dt (3)
optimal point is selected from the generated Pareto-optimal front using
the TOPSIS method along with entropy information for weights. The Equilibrium
performance of the optimized VRBD schemes (retrofitted and new one)
is finally quantified in terms of operating cost/kg of product/year and yn, i = Kn, i x n, i (4)
TAC. To illustrate the proposed strategy, one nonreactive and one re-
active batch column are simulated. Summation
Nc
x n, i = 1
2. Conventional batch distillation (CBD) column (5)
i=1

CBD column shown in Fig. 1a comprises of a rectifier, reboiler at the Nc

bottom and a condenser at the top. The numbering of trays is started yn, i = 1
from the bottom; the bottom tray is designated as first tray and topmost i=1 (6)
tray as NT th stage (excluding reboiler and condenser). The batch dis-
tillation column is an unsteady process, which operates in two succes- In the afore-mentioned modeling equations, Nc is the total number
sive phases, namely startup and production phase. The fresh feed is of species present in the mixture, x n, i the mole fraction of component i
distributed in the reboiler, on the trays, and in the reflux drum initially in the liquid stream leaving nth tray, yn, i the mole fraction of compo-
for the process simulation. Then, the process is run at total reflux mode nent i in the vapor stream leaving nth tray, Ln the liquid flow rate
to attain the steady state. The production phase is subsequently started leaving nth tray, Kn, i the vapor-liquid equilibrium coefficient with re-
with the product withdrawal that is continued until one reaches the pre- spect to nth tray and component i, Vn the vapor flow rate leaving nth
specified composition. tray, mn the liquid holdup on nth tray, HnL the enthalpy of liquid leaving
nth tray, HnV the enthalpy of vapor leaving nth tray, H r the heat of the
reaction, r the reaction rate, the volume of tray liquid, the stoi-
2.1. Process modeling chiometric coefficient and Rf the multiplication factor, which takes
value of one for reactive and zero for nonreactive stage. From the en-
For a typical nth tray of a batch column shown in Fig. 1a, we derive ergy balance equation, heat of formation is taken while calculating the
the following model. enthalpies of streams by means of which the heat of reaction term can
Total mole balance be removed. The Murphree correlation is used to calculate the actual
vapor phase composition. It is true that the dynamics of internal energy
Nc
dmn change is much faster than the composition or total holdup changes.
= Ln + 1 + Vn 1 Ln Vn + Rf ( i rn n)
dt i=1 (1) Hence, the differential energy equations (Eq. (3)) are transformed to the
algebraic form by setting zero on their left-hand sides to compute the
Species (i) mole balance vapor flow rate.

Fig. 1. Schematics of (a) CBD and (b) VRBD.

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3. Vapor recompressed batch distillation (VRBD)
The optimal utilization of usable internal source of energy is at-
tempted to achieve with the development of vapor recompressed
column (VRC) that has the potential to reduce the capital and operating
costs. In the following, the basic structure of VRBD is highlighted.
3.1. Operating principle and basic configuration
The heat pump assisted vapor recompression scheme runs with in-
creasing pressure of a vapor stream. Fig. 1b demonstrates the schematic
diagram of VRC scheme in batch processing. The vapor leaving from the
top of the batch column is compressed and then condensed against
reboiler liquid. This leads to reboil the still content and yields vapor for
the rectifying tower. As shown, the high-pressure condensate is de-
pressurized by a pressure relieve valve before entering into the reflux
drum. This scheme provides a decrease in operating cost of the con-
denser and reboiler. Nevertheless, the compressor in VRBD scheme
requires electrical energy, which is generally expensive than the
thermal utility. Thus, we need a detailed comparative analysis to find
the performance improvement likely to achieve through the proposed
heat integration. For this, we use two performance indicators, namely,
energy saving and TAC [15]. The VRBD scheme is modeled with the
following assumptions: (i) no flashing in the valve, and (ii) compressed
vapor releases only latent heat in the still.
It is evident that the pressure of departing vapor from the top of the
column is enhanced by the employment of a compressor in such a way
that the thermal driving force, TT (=TNTC TB ) is maintained at 15 °C.
Here TNTC refers to the temperature of compressed overhead vapor and
TB the reboiler temperature. A variable speed compressor is required to
maintain this TT for the transient batch processing. With this, the
compressor ratio is controlled with:
µ around each stage of the distillation process yield ODEs. The thermo-
TB + TT (µ 1)
CR =
TNT (7)
where µ denotes the polytropic coefficient, which for any species i
(=µ = ) is dependent on temperature. The µ is computed as:
i
CPi
CVi
µ
Nc
yj
=
µ 1 µj 1 (8)
j=1
In order to make the comparison between a heat integrated scheme
and its conventional counterpart meaningful, they are attempted to
operate with close dynamics, if not same. In this light, the input con-
ditions (e.g. feed specification and heat input (QR )) are kept same be-
tween them to get the same product specification (i.e., quality and
quantity). For the CBD, the total external heat input is QR , while in case
of VRBD, we aim to reduce the utility consumption by utilizing the
latent heat ( ) of overhead vapor (i.e., QOCV = VNT , where VNT is the
top vapor flow rate). Accordingly, the external heat input to the VRBD
(QE ) gets reduced as
QE = QR QOCV (9)
Due to the unsteady nature of batch processing, QOCV varies at every
time step. Accordingly, there exist two cases: (QOCV > QR ) (First sce-
nario) and (QOCV < QR ) (Second scenario). The manipulation me-
chanism involved in these two scenarios can be drawn up as follows.
3.2. First scenario (QOCV > QR )
Here, the internal energy associated with top vapor (i.e., QOCV ) is
more than the heat required for the reboiling of liquid in the still. The
consumption of additional heat (i.e., QOCV QR ) does not make the
batch processing faster, especially when the column runs at optimal QR.
Due to the reboiling of heavier fractions by that extra heat, the startup
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Applied Thermal Engineering 150 (2019) 1273–1296
operation gets prolonged. With this, it is necessary to split the overhead
vapor (VNT ) into two fractions: one fraction (VNTC ) meets the heat de-
mand of the still, and the other fraction (VNTO ) can be channelled to the
overhead condenser (without compression). Consequently, the VNTC can
be computed as:
QR
VNTC =
(at TNTC ) (10)
and
VNTO = VNT VNTC (11)
Note that in this scenario, there is no need of any heating medium
for liquid reboiling in the still. But it requires a condenser with reduced
capacity compared to the CBD.
3.3. Second scenario (QOCV < QR )
In this scheme, the available heat from the top vapor is inadequate
to maintain the constant QR . Hence, it requires an external heating
medium to the still, which is supplied by steam that meets the heat
demand (i.e., QR QOCV ) of the column. Required steam flow rate (ms )
is:
ms = QE = QR = QOCV (12)
s
Obviously, this scenario requires no overhead condenser and a re-
duced quantity of steam.
4. Simulation algorithm
A set of ordinary differential equations (ODEs) coupled with alge-
braic equations/correlations constitute the equilibrium stage model of
the batch distillation column. The mass (or mole) and energy balances
dynamic and physical properties, tray hydraulics and actual vapor-
phase compositions are predicted using algebraic equations/correla-
tions. The computational routines [42] have been sequentially executed
to solve these coupled differential algebraic equations (DAE) system.
With this, the distillation column simulator is developed in MATLAB
environment.
5. Performance indices
The performance of the heat integrated VRBD is quantified in terms
of the energy savings, total annual production (TAP) and total annual
cost (TAC). The last two criteria are selected based on the production
rate and cost, which are also opted as the objective functions for the
multi-objective optimization.
5.1. Total annual cost (TAC)
The TAC of CBD correlates the operating cost (OC) and capital in-
vestment (CI) as:
CI
TAC ($/year) = OC +
payback time( ) (13)
Here, CI is the installation cost of distillation column and its trays,
heat exchangers (e.g., reboiler and condenser) and compressor. The
payback period is taken as five years. The OC, which sums up the cost of
steam, coolant (water) and electricity, is computed on yearly basis. The
TAC is calculated using the available correlations [43].
The Marshall and Swift (M&S) index adopted here is 1704.9, which
is in abidance to CEPCI (chemical engineering plant cost index) [44].
The required equations [43] for estimating the cost of the column, tray,
heat exchangers and compressor are listed below.
S.S. Parhi et al. Applied Thermal Engineering 150 (2019) 1273–1296

Distillation column 5.3. Energy savings

M&S
Installed cost ($) = 937.636DC1.066 LC0.802 (cin + cm cp) The estimation of total consumed heat is quite straightforward for
280 (14)
constant reboiler duty operation in CBD (QRCBD ) throughout the entire
Here, DC is the column diameter (m), and the coefficients, batch time. For VRBD structure, there are basically two sources of
cin = 2.18, cm = 3.67 and cp = 1.0 (up to 3.4 atm pressure). To calcu- thermal energy involved; they include the internal source of heat ob-
late the column height (LC ), the tray spacing of 0.4572 m and a 10% tained through overhead vapor condensation (QOCV ) and externally
allowance are used. The column diameter is computed from the avail- provided steam (QE ). A compressor is generally installed for elevating
able correlation [45]. The allowance corresponds to the space required the pressure of the entire top vapor (i.e., second scenario) or a fraction
for the disengagement of vapor and liquid at both ends of the column. of it (first scenario). It requires electrical energy in the form of com-
The height of the column (LC ) is estimated from: pressor duty (QCom ). It is supposed that 3 kW of thermal energy is re-
LC = 0.4572 × (NT 1) × 1.1 (15) quired to produce 1 kW of electrical power [49]. This multiplying factor
of 3 is obtained by considering electricity cost, fuel quality, operational
where NT denotes the total number of trays. issues, etc. Later, a sensitivity test is performed to observe the effect of
this factor on energy savings.
Distillation tray Consequently, the total heat consumption in a VRBD is computed as
M&S follows:
Installed Cost ($) = 97.243DC1.55 LT (cs + ct + cm )
280 (16) QRVRBD = QE + 3QCom (23)
Here, cs = 1.0, ct = 0.0 (for sieve tray) and cm = 1.7. The stack Here, QCom is estimated from the following correlation:
height of the tray (LT ) is obtained from: µ 1
µ Po µ
LT = 0.4572 × (NT 1) (17) QCom = 3.03 × 10 5 VNT Pi 1
µ 1 Pi
Heat exchanger (HE) (24)
2
M&S In the above equation, the inlet and outlet pressures (lbf/ft ) are
Installed cost ($) = 474.668 A0.65 (cin + (cd + cp) cm) denoted by Pi and Po , respectively, and VNT (ft3/min) is the vapor inflow
280 (18)
rate to the compressor. The above correlation applies to the systems
Here, cin = 2.29, cm = 3.75, cp = 0.0 (up to 10.2 atm pressure), and with both static and dynamic compression. Moreover, for the two sce-
cd = 0.8 for condenser and 1.35 for reboiler. The heat transfer area of narios detailed before, we have
reboiler and condenser is given as: Scenario 1
Q QE = 0
A=
UHE TLMTD (19)
Scenario 2
in which, the overall heat transfer coefficient (UHE ) is adopted as
QE = QR QOCV
1418.617 W/(m2·K) for reboiler and 851.1699 W/(m2·K) for condenser
[46]. For CBD,
QE = QRCBD
Compressor
QCom = 0
M &S
Installed cost ($) = 517.5(BHP )0.82 (cin + ct )
280 (20) With this, the following expression is used for computing the per-
cent energy savings as:
Here, cin = 2.11 and ct = 1.0. This expression is valid for the range
of 30 < BHP < 10,000. Energy savings (%) =
QRCBD QRVRBD
× 100
The operating cost of the column is estimated for the yearly working QRCBSD (25)
time of 8000 h. It is computed by summing the costs of steam ($17 per
ton), cooling water ($0.06 per ton) and electricity ($0.084 per kW·h)
5.4. Payback period
[47]. For the calculation of operating cost of the compressor, the motor
efficiency of 80% is adopted [43]. The steam (ms ) and coolant (wc )
The fourth economic index used is the payback period. It is defined
flows are calculated (kg/min) as:
in years as:
QR
ms = (Capital investment) VRBD (Capital investment)CBD
s (21) Payback period =
(Operating cost)CBD - (Operating cost) VRBD
Qcon (26)
wc =
Cp Tw (22)
Here, Cp refers to the heat capacity of water, Tw the increment in 6. Optimization layout
temperature of water (i.e., 15 °C) and s the latent heat of steam at
steam temperature (TS ), which is obtained by adding 15 °C with the As indicted, this work first aims at developing an optimal config-
maximum value of TB . uration for the CBD column. Then an attempt is made to retrofit this
batch column with the introduction of vapor recompression that yields
5.2. Total annual production (TAP) retrofitted VRBD. Finally, we propose an optimal VRBD scheme that is
different from the retrofitted VRBD and is recommended for the case of
The TAP is estimated by multiplying total product recovered per starting up a new plant.
batch with the total number of batch cycles performed in a year. The The dynamic behavior of the batch process makes its design and
total number of batch cycles is calculated by dividing 8000 production operation challenging. The optimal design problem is articulated based
hours per year by total batch time per cycle plus 30 min as batch setup on various modes of operation in batch distillation. As stated earlier,
time between each cycle [48]. the optimization problem is formulated using either the rigorous model

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or shortcut model. The involved accuracy with the rigorous model is Table 1
usually better compared to the shortcut model. Therefore, here the Ranges for the full factorial study of conventional batch distillation in constant
batch simulator is designed using rigorous model of CBD for constant reflux mode of operation.
reflux mode operation. Variable Levels
The whole optimization layout is presented in Fig. 2. As shown, the
optimization of batch distillation process is subdivided into three steps. Number of trays 4 13 22 31 40
Reboiler duty, kJ/min 2000 9000 16,000 23,000 30,000
The first step involves the selection of design variables and the opti-
Reflux ratio, mole basis 0.01 0.43 1 2.33 9
mization problem formulation. The dominated design variables are
Weir height, cm 2.54 5.08 7.62 10.16
chosen through the full factorial design. In the second step, the required
objective functions, population size and generations are provided to
MOO optimizer developed using NSGA-II technique [50], which sup-
Table 2
plies the value of design variables to the batch distillation simulator
NSGA parameters used in the present study.
needed to find objective function (i.e., TAC and TAP). The process is
continued for the required number of population size and generations. Parameter Approach/Value

The non-dominated solutions produced after the second stage constitute Population size 50
a Pareto-optimal front. In the final step, the selection of one optimal Maximum number of generations 70
solution from the ‘true’ Pareto-optimal front is performed by the tech- No. of variables (nvar ) 3/4
nique for order of preference by similarity to ideal solution (TOPSIS)- No. of objectives (no ) 2
Crossover type Intermediate
with entropy weighting method [51].
Crossover ratio 0.8
Crossover fraction no /n var
6.1. Full-factorial design methodology Mutation type Gaussian
Shrink 0.5
In the first step, the impact of all the parameters, which include the Scale 0.1
Mutation fraction no /n var
logical, design and operational variables, is considered. The ranges of
these parameters are selected based on available information and
standard industrial practices. For a distillation column, the weir height
of the tray is regarded as a logical parameter due to its availability in • Prior articulated “trade-off” (simultaneous approach).
industrial standard. The number of trays is considered here as a design NSGA-II is nothing but an example of generating techniques or a
variable. The reboiler heat duty and reflux ratio are taken as opera- posteriori preference articulation methods, which search for many
tional variable. The steady state distillate purity ( xD ), TAC and TAP are Pareto-optimal solutions. Then, the “trade-off” is analyzed from the
regarded as output responses. These responses are chosen in such a way Pareto-optimal front. NSGA-II is formulated by mimicking the natural
that leads to achieve the maximum purity at steady state with minimum hereditary (genetic) process of crossover and mutation followed by
startup period, which eventually increases the TAP. Subsequently, the selection. It is also referred as elitist NSGA, where the non-dominated
main effects and interaction plots are prepared to get a visual con- solutions are protected for the next generation of the population. NSGA-
firmation of dominating variables. A total of 500 simulated experiments II parameters for the optimization studies in this work are given in
are performed according to a full factorial design with four factors Table 2.
along with various levels of each factor. The simulations are performed
in randomized run order to determine three characteristic responses in
terms of steady state purity, TAC and TAP. The various factors with 6.3. TOPSIS-entropy method
their levels and ranges are presented in Table 1.
Over the years, the selection of an optimal solution from non-
6.2. Multi-objective optimization (MOO) dominated solutions has been extensively examined in the management
and economics sector. From the last decade, there is an exponential rise
The MOO studies are usually conducted in two steps, which can be in the use of MOO in chemical engineering [38]. Recently, Wang and
sequential, simultaneous or in iterative manner. In the first step, gen- Rangaiah [51] have assessed many selection techniques for choosing
eration of one or more non-dominated solutions is performed. In the one of the Pareto-optimal solutions for chemical engineering applica-
later/second step, the selection of an optimal solution in proper “trade- tions. One of the recommended techniques is the technique for order of
off” of the Pareto-optimal solutions has been determined. The MOO preference by similarity to ideal solution (TOPSIS). To enhance the
techniques are broadly classified into three groups [52] as: probability of selecting the optimal solution closer to the positive ideal
point by TOPSIS, an objective weighting method (i.e., entropy method)

• Generating technique (sequential approach) is adopted. It gives more weightage to the criteria, which have larger

• Interactive technique changes.

Out of numerous multi-criteria decision-making (MCDM) methods,

Fig. 2. Optimization layout of batch distillation design.

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TOPSIS is one of the simple and practical techniques for ranking and V = Nm × c . wc × c = (vig )m × c ; (i = 1, , m; g = 1, , c) (36)
selecting possible alternatives (such as Pareto-optimal solutions) by
Step 6: Calculate the positive ideal solution (PIS) A+ and the nega-
evaluating the Euclidean distances to positive and negative ideal solu-
tive ideal solution (NIS) A of the ‘alternatives’:
tions. The term ‘alternatives’ refers to all process design choices, and
‘criteria’ refer to objectives. The criteria can be classified into positive A+ = {(max vig |g G ); (min vig |g G )} = (v1+, v2+, ...,vc+) (37)
criteria and negative criteria. Among them, the former criteria should
be maximized, and the later one be minimized. By employing the ob- A = {(min vig |g G ); (max vig |g G )} = (v1 , v2 , ...,vc ) (38)
jective weighting method, i.e., entropy method, the best compromised where G and G are the subsets of positive and negative criteria.
solution is found by TOPSIS. Step 7: Calculate the distance of each alternative from PIS (di+) and
According to TOPSIS, the chosen optimal/non-dominated solution NIS (di ):
should be at the farthest distance from the determined negative ideal
solution (A–) and closest to the determined positive ideal solution ( A+ ).
c
di+ = (vig vg+)2
This approach along with entropy weighting method can be carried out
g=1 (39)
by the following algorithm [53,54].
Step 1: Specify the ‘alternatives’ and ‘criteria’ for the batch dis- c
tillation design to be optimized. There are ‘m’ possible alternatives, di = (vig vg ) 2
A = {A1 , …, Am } that are to be measured against ‘c’ criteria, g=1 (40)
C = {C1, …, Cc} Step 8: Calculate the closeness coefficient (CC ) of each alternative:
Step 2: Constitute an evaluation matrix of ‘alternatives’ and ‘criteria’
using matrix X presented below, where x ig denotes the value of alter- di
CCi+ = ; (i = 1, …, m )
native Ai for criterion Cg : (di + di+) (41)

A x11 x12 … x1c Step 9: Rank the ‘alternatives’:

A · · x ig ·
v = {vi | max (CCi+)}
Xm × c =
… 1 i m (42)
A x m1 xm2 … xmc (27)
After ranking the ‘alternatives’, the alternative having the maximum
Step 3: Compute weight of criteria by entropy technique to nor- value of closeness coefficient is chosen as the optimum solution due to
malize the decision matrix using the following relation: its’ highest importance and priority.
x ig
qig = ; g {1, …, c} 7. Case study 1: non-reactive system
x1g + + xmg (28)
Entropy information is found as: 7.1. Optimizing CBD
m

g = k qig ·ln qig ; g {1, …, c} 7.1.1. Example system

i=1 (29) To demonstrate the proposed optimization strategy, a CBD column
where 0 1 can be checked with the coefficient k , though separating a mixture of benzene (boiling point = 80.1 °C) and toluene
g
k = 1/ln(m) . (boiling point = 110.6 °C) is considered first [16,56,33]. This non-
The objective weights of the criteria are determined by statistical reactive binary system is a wide boiling mixture. Hildebrand regular
data properties in the entropy technique, which was explicated ex- solution model is employed for vapor liquid equilibrium (VLE) calcu-
tensively by Shannon [55]. Usually, the variation is higher for the index lations and the relevant binary interaction parameters are provided
having larger entropy information. The weight by deviation degree dg is elsewhere [42]. To use as a reference process for the heat integrated
calculated as: scheme, we design it by the use of the proposed optimization strategy.
More information regarding the example system is given in Table 3.
dg = 1 g, g {1, …, c} (30)
Ultimately, the objective weight for criteria by the entropy tech- 7.1.2. Optimization outcome
nique is calculated by the following relation: 7.1.2.1. Factorial design approach. The output responses upon altering
the variables for CBD are plotted in Fig. 3. From the main effects (and
dg interaction plots, not shown), number of trays, reboiler heat duty and
wg =
d1+ + dc (31) reflux ratio, and the interaction between them are the significant
Eqs. (30) and (31) are employed simultaneously with that of process parameters in determining the values of response variables such as
manager’s weight vector g , to find the aggregated weight wg : steady state purity, TAC and TAP. The vital parameters are decided
from the deviation of the mean line of each plot. The more the deviation
g. wg from the horizontal line the more is the variable perceived as dominant.
wg =
( 1. w1+ + c . wc (32) For main effects on steady state purity, TAC and TAP, number of trays,
reboiler heat duty and reflux ratio are found to be the dominating
w = {w1 , w2, …, wc } (33) variables. While for the interaction study, the interaction between the
Step 4: Employing the vector normalization method, construct a number of trays and reboiler heat duty is found to have more effect over
normalized decision matrix. For this, normalized rig and construct ma-
trix Nmc as: Table 3
Model and system characteristics.
x ig
rig = Total fresh feed (kmol) 100.0
(x12g + 2
+x mg ) (34) Feed composition (benzene/toluene) (mol frac) 0.5/0.5
Liquid holdup in each tray (startup) (kmol) 0.5
Nm × c = [rig ]m × c ; (i = 1, …, m ; g = 1, …, c ) (35) Condenser holdup (kmol) 10.0
Tray efficiency (%) 80
Step 5: Building the diagonal matrix wc × c with elements wg in Eq. Integration time interval (min) 0.005
(32), construct the weighted normalized decision matrix, V:

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(a) (b)
Main Effects Plot for XD (mole fraction) Main Effects Plot for TAC ($/yr)
Data Means Data Means
NT QR (kJ/min) NT QR (kJ/min)
1.00 250000

200000

0.75 150000
Mean (mole fraction)

100000

Mean ($/yr)
0.50 50000

4 13 22 31 40 2000 9000 16000 23000 30000 4 13 22 31 40 2000 9000 16000 23000 30000
WH (cm) Reflux ratio (mole basis) WH (cm) Reflux ratio (mole basis)
1.00 250000

200000
0.75 150000

100000

0.50 50000
2.54 5.08 7.62 10.16 0.01010 0.42857 1.00000 2.33333 9.00000
2.54 5.08 7.62 10.16 0.01010 0.42857 1.00000 2.33333 9.00000

(c)
Main Effects Plot for TAP (kmol/yr)
Data Means
NT QR (kJ/min)
40000

30000

20000
Mean (kmol/yr)

10000

0
4 13 22 31 40 2000 9000 16000 23000 30000
WH (cm) Reflux ratio (mole basis)
40000

30000

20000

10000

0
2.54 5.08 7.62 10.16 0.01010 0.42857 1.00000 2.33333 9.00000

Fig. 3. Main effects plots for the decision variables on Steady state purity under total reflux (plot a), TAC (plot b) and, TAP (plot c) (Abscissa is mentioned at the top
of each plot with unit).

other interactions for the aforementioned responses. Ultimately, it is formulation. The ranges for the optimization study are taken from the
concluded that the optimization problem can be formulated by the factorial analysis studies, which gave a brief idea about the outcome of
dominating variables without incorporating the insignificant parameter the system over the entire range.
(i.e., weir height) for CBD. Apart from finding the dominating variables A multi-objective optimization (MOO) problem for batch distillation
for optimization studies, this analysis also helped in finding the range of design is described in the following manner.
our optimization studies.
Minimize f1 = total annual cost (TAC) (43)

7.1.2.2. Optimization problem formulation. As stated earlier, the Maximize f2 = total annual production (TAP) (44)
dynamic behavior of the batch process makes its design and
Subject to:
operation a challenging task. Here, the optimal design problem is
formulated based on constant reflux mode of operation, and the batch 4 NT 40 (45)
simulator is using a rigorous model of the conventional distillation 2000 QR 30, 000 (46)
column. Ultimately, a multi-objective mixed-integer dynamic
optimization (MO-MIDO) problem for CBD is formulated 0.01 RR 10 (47)
incorporating all the dominating design and operational variables.
purity (avg.) = 99% (48)
The primary intention of batch distillation design is to minimize the
TAC ($/year) and utility consumption while maximizing the TAP where NT , QR and RR refer to the number of trays, reboiler heat duty
(kmol/year) simultaneously. It should be noted that unlike continuous (kJ/min) and reflux ratio, respectively.
column, batch distillation is a transient process and thus, the total an-
nual production (or number of batch cycles per year) is a crucial issue 7.1.2.3. Analysis of MOO results. The MOO problem for the CBD is
to quantify its performance. Due to its transient nature, the batch solved five times using NSGA-II optimizer. The ‘true’ Pareto-optimal
column design problem can be established by a discrete-continuous front at the maximum number of generations (MNG) is found after
optimization problem. The complexity involved in the configuration unifying and sorting the optimization results from these five runs. This
design problem increases due to the concurrent determination of design procedure is given elsewhere [50]. A total of 267 non-dominated points
(number of trays) and operation variables (reboiler heat duty and reflux are generated from sorting the total of 350 solutions found in five runs.
ratio), which give the optimal trade-off between the TAC and TAP. This The trade-off between the two objectives and variation of design
leads to an exploration of the configurational variables in an attempt to variables with objectives, all based on the ‘true’ Pareto-optimal front
optimize energy savings and profit. Fig. 3a and b depict the maximum for CBD are illustrated in Figs. 4 and 5. The optimal solution
purity achieved during the entire range of study, which helps in the recommended by TOPSIS with entropy weighting is identified with
formulation of production related constraints in optimization problem filled red circle in these two figures.

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Fig. 4. Objective space showing the trade-off between the two objectives (plot a), operating cost (OC) with total annual production (TAP) (plot b), capital cost (CC)
with TAP (plot c), and CC with OC (plot d) of the non-dominated solutions obtained from MOO by NSGA-II. The filled circle corresponds to the chosen solution.
From Fig. 4a, it is evident that TAP increases with the increment of
TAC. Similarly, OC (Fig. 4b) and CC (Fig. 4c and d) show an increasing
trend with TAC and TAP. Fig. 5 depicts the design space of decision
variables with that of objectives. Almost all the fronts appear to be
smooth apart from the Pareto-optimal front for NT with that of objective
functions. The disjointed segment occurs in the case of the number of
trays (Fig. 5a and b) because NT is an integer variable while all other
variables are continuous. For the same value of NT with the variation in
other decision variables lead to different TAC and TAP values. It is
observed from Fig. 5a and b that, with the increment of NT , the value of
TAC and TAP also increases. Fig. 5c and d show that the non-dominated
solutions having higher QR are having higher TAC and TAP values. It
can be observed from Fig. 5d and e that larger the reflux ratio value of
the non-dominated solution is the lower the values of TAC and TAP.
7.1.3. Development of optimal CBD
Optimal CBD is developed using the optimum conditions obtained
from the optimization study as described in the previous section. From
the TOPSIS studies, the following optimal conditions are retrieved from
the optimization study: total 21 trays (excluding the reboiler and total
condenser), constant reboiler heat duty of 29872 kJ/min and a reflux
ratio of 1.635 (mole basis) during the production phase. The following
assumptions are considered for the development of optimal CBD: stage
efficiency of 80%, atmospheric pressure, stage pressure drop of 0.3 kPa,
Hildebrand model for nonideality in the liquid phase and the Francis-
weir equation for tray hydraulics. With this, the composition profile is
obtained and shown in Fig. 6a. The steady state of CBD under total
reflux is achieved with a startup period of 2.61 h (=157.11 min) con-
ceding 99.98% benzene in the distillate. The production phase begins
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afterward by dispatching the distillate stream having a flow rate of
424.77 mol/min, which runs up to the pre-specified product composi-
tion of 99%. This corresponds to a production period of 1.36 h (total
batch time = 238.64 min, excluding setup time).
7.1.4. Development of retrofitted VRBD
This section develops the retrofitted VRBD by introducing heat
pump in the CBD developed before. The VRBD column is formulated by
fixing the two operating criteria, namely, TT = 15 °C and
QR = 29872 kJ/min. Fig. 6b shows the temperature difference between
reboiler temperature (TB ) and top tray temperature (TNT ) throughout the
batch operation. It is apparent from Fig. 6b that the temperature of the
heat sink (i.e., TB ) is higher than that of the heat source (i.e., TNT )
throughout the entire batch operation. This necessitates the use of a
compressor to have a positive driving force. The maximum temperature
difference (TB TNT ) is 27.5 °C at 221.8 min (Fig. 6b), which is below
the normal boiling point difference between the nonreactive binary
components (i.e., 30.5 °C) and it corresponds to maximum compression
ratio (CR). To achieve TT , the CR needs to be adjusted at every time
step due to the variation of both reboiler and overhead vapor tem-
peratures. Accordingly, we manipulate CR by using Eq. (7) and get
Fig. 6c. It is obvious that the maximum CR (=3.9) is required at
221.8 min. As shown in Fig. 6d, the startup operation of VRBD falls
under the second scenario (i.e., QOCV < QR ), whereas the production
period falls under the first scenario (i.e., QOCV > QR ). Accordingly, we
manipulate the external makeup heat to the reboiler (QE ) during the
startup phase (Fig. 6e) and overhead vapor splitting (V21C ) during the
production phase (Fig. 6f).
S.S. Parhi et al. Applied Thermal Engineering 150 (2019) 1273–1296

Fig. 5. Decision variable space showing the variation of number of trays (NT ) with total annual cost (TAC) (plot a), NT with total annual production (TAP) (plot b),
reboiler heat duty (QR ) with TAC (plot c), QR with TAP (plot d), reflux ratio (RR ) with TAC (plot e), and RR with TAP (plot f) of the non-dominated solutions obtained
from NSGA-II.

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Fig. 6. Dynamic profile of optimal VRBD in terms of distillate composition (plot a) and temperature difference, TB–TNT (plot b), compression ratio, CR (plot c) and
that of retrofitted VRBD in terms of heat duty, QR (plot d), external heat supply, QE (plot e) and overhead vapor splitting (V21C ) profile (plot f).

7.2. Optimizing VRBD 7.2.1. Optimization outcome

Here, we would like to develop a new optimal VRBD column, which
is not extended from the existing CBD, for those who want to set up a
new plant. For this, we adopt the same benzene/toluene mixture con-
sidered before.
7.2.1.1. Factorial design approach. To choose the significant parameters
for the formulation of the optimization problem, factorial analysis study
is performed similarly to that of CBD. This provides the trend of
responses to input parameters (i.e., number of trays, reboiler heat duty,
reflux ratio and weir height) on outputs (i.e., steady state purity, TAC
and TAP). The heat integration is done externally for the VRC, without

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changing the internal dynamics of the conventional system, and hence
the behavior of TAP and steady state purity responses on altering input
variables will be same as that of CBD. But for the case of TAC, the
response on changing the reboiler heat duty will be slightly affected as
part of the heat duty is supplied from the internal sources unlike in CBD
scheme, where the heat duty is solely provided externally. Hence, it can
be perceived that the significant and insignificant parameters will be
same for both the CBD and VRBD. Now, it is straightforward to
formulate the MOO problem for VRBD without incorporating the
insignificant parameter (i.e., weir height).
7.2.1.2. Optimization problem formulation. As the goal of heat
integration is to reuse the internal energy without changing the
dynamics of the systems, the optimization problem can be framed
like that of CBD. The formulation of the optimization problem for VRBD
column is precisely similar with that of CBD as no other inclusion of
parameters from the factorial analysis is done. The optimization
problem is framed using the number of trays, reboiler heat duty and
reflux ratio as decision variables to optimize TAC and TAP
simultaneously. The ranges of variables, objective functions and
constraints are provided from Eqs. (43)–(48). Another aspect of
framing the similar optimization problem is to have better
comparative analysis between two different systems.
7.2.1.3. Analysis of MOO results. Similar to CBD optimization studies,
each VRBD MOO problem is solved five times using NSGA-II optimizer.
Then the ‘true’ Pareto-optimal front is constructed after combining and
Fig. 7. Objective space showing the trade-off between two objectives (plot a), operating cost (OC) with total annual production (TAP) (plot b), capital cost (CC) with
TAP (plot c) and CC with OC (plot d) of the non-dominated solutions obtained. The filled circle corresponds to the chosen solution.
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sorting the dominated solutions using the non-dominated sorting (NDS)
approach. A total of 117 points are thus generated. Based on the ‘true’
Pareto-optimal front, the two objectives trade-off and decision variables
spaces are provided in Figs. 7 and 8. Optimal values obtained from the
Pareto-optimal front by TOPSIS-entropy studies is given in Table 4.
From Fig. 7, the trade-off between TAC and TAP shows the similar trend
as that observed in the case of CBD. The design and operating variable
space are also showing the tendency alike with that of CBD, as shown in
Fig. 8.
7.2.2. Development of optimal VRBD
Optimal VRBD is constructed using the optimum conditions ob-
tained from the optimization study performed for VRC column. From
the TOPSIS studies, the optimal conditions are total 20 trays (ex-
cluding the reboiler and total condenser) with stage efficiency of
80%, constant reboiler heat duty of 29833 kJ/min, operation at at-
mospheric pressure, stage pressure drop of 0.3 kPa, a reflux ratio of
1.56 (mole basis) during the production phase. The steady state of
VRBD scheme is attained within 2.62 h (=157.3 min) with a purity
of 99.98 mol% benzene (Fig. 9a). Subsequently, the production phase
begins by withdrawing the distillate stream with a flow rate of
441.7 mol/min for a period of 1.28 h (total batch cycle = 234 min
excluding setup time). From Fig. 9b, the maximum temperature
difference (TB TNT ) between reboiler temperature (TB ) and top tray
temperature (TNT ) is found to be 26.6 °C at 218.33 min, which cor-
responds to maximum CR of 3.81. Like the retrofitted VRBD, this
optimal VRBD has similar CR profile (Fig. 9c), and it involves both
S.S. Parhi et al. Applied Thermal Engineering 150 (2019) 1273–1296

Fig. 8. Decision variable space showing the variation of number of trays (NT ) with total annual cost (TAC) (plot a), NT with total annual production (TAP) (plot b),
reboiler heat duty (QR ) with TAC (plot c), QR with TAP (plot d), reflux ratio (RR ) with TAC (plot e), and RR with TAP (plot f) of the non-dominated solutions obtained.

Table 4 7.3. Performance improvement

Optimal operating conditions.
Optimal CBD Retrofitted VRBD Optimal VRBD
In this section, a comparative performance study between the CBD
and VRBD is conducted. The optimum conditions are provided in
No of trays 21 21 20 Table 4. As indicated, here we use energy, operating cost and TAC
Reboiler heat duty (kJ/min) 29,872 29,872 29,833 savings, and TAP to quantify the performance improvement. Prior to
Reflux ratio (mole basis) 1.635 1.635 1.56
doing this, let us investigate the effect of multiplying/conversion factor
Entropy weight involved in Eq. (23). Here, we consider the retrofitted VRBD, for which,
TAC 0.45 – 0.44
that factor is varied from 1 to 5 and the results are shown in Fig. 10. It is
TAP 0.55 – 0.56
Closeness coefficient 0.58 – 0.60 evident that the percent energy savings decreases with the increase of
Steady state purity 0.999 0.999 0.999 multiplication factor value. It is expected because increasing of that
factor value means more utility consumption required for a certain
amount of electricity generation.
scenarios 1 and 2 (Fig. 9d). Accordingly, the manipulated profiles Values of performance indicators are provided in Table 5. It is
regarding external utility supply (Fig. 9e) and overhead vapor evident that the additional compressor component involved in the heat
splitting (Fig. 9f) are produced. integration leads to enhance the capital investment of the VRBD. As

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Fig. 9. Dynamic profile of optimal VRBD in terms of distillate composition (plot a) and temperature difference, TB TNT (plot b), compression ratio, CR (plot c) and
that of optimal VRBD in terms of heat duty, QR (plot d), external heat supply, QE (plot e) and overhead vapor splitting (V20C ) profile (plot f).

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90 Table 7
Model and system characteristics.
System Acetic acid/ethanol/ethyl
80 acetate/water
Percent energy savings

Total fresh feed, kmol 30

Feed composition (startup), (mol frac.) 0.45/0.45/0.0/0.1
70 Liquid holdup in each tray (startup), (kmol) 0.075
Condenser holdup (kmol) 0.6
Tray efficiency (%) 80
Integration time interval (min) 0.005
60
Kinetic data

Rate of reaction (kmol/L min): r = k1 c1 c2 k2 c3 c4

50 Rate constants: k1 = 4.76 × 10-4; k2 = 1.63 × 10 4
where cj = concentration (kmol/L) for the jth component

40
1 2 3 4 5 6 Table 8
Ranges for the full factorial study of conventional batch distillation in constant
Multiplication factor
reflux mode of operation.
Fig. 10. Effect of multiplication/conversion factor [eq. (23)] on energy savings Variables Levels
of the retrofitted VRBD column.
Number of trays 4 11 17 24 30
Reboiler heat duty, kJ/min 1000 2250 3500 4750 6000
Reflux ratio, mole basis 0.01 0.43 1 2.33 9
Table 5 Weir height, cm 2.54 5.08 7.62 10.16
Comparative analysis of energy consumption.
Quantity Optimal CBD Retrofitted Optimal
VRBD VRBD the capital cost/kg of product/year is more in case of VRBD than the
CBD, overall the retrofitted and optimal VRBD schemes provide, re-
External heat duty (kW) 497.86 8.47 8.57 spectively, 13.5% and 15% TAC savings compared to the CBD. This is
Internal heat duty (kW) – 489.39 488.65
reflected through the payback period for the retrofitted VRBD scheme
Compressor duty (kW) 54.2 53.31
Total Energy consumption (kW) 497.86 171.1 168.5 (i.e., 3.1 years).
Specific energy requirements (kWh/ton) 730.70 251.12 247.93
Energy saving (%) – 65.63* 66.15* 8. Case study 2: reactive system

* With reference to CBD.

8.1. Optimizing conventional batch reactive distillation (CBRD)

Table 6 8.1.1. Example system

Comparative cost analysis. The proposed optimization strategy is also demonstrated on a re-
active batch distillation unit that produces ethyl acetate through the
Item Optimal Retrofitted Optimal
CBD VRBD VRBD
esterification of acetic acid (boiling point = 118.1 °C) with ethanol
(boiling point = 78.4 °C). This work attempts to produce the industrial
Capital cost ($) grade ethyl acetate (boiling point = 77.1 °C) of minimum 90.0% purity
Column shell 265,037 265,037 256,102 by mole basis using CBRD. The column specification and reaction ki-
Trays 20,129 20,129 19,314
netic data are provided in Table 7 [57]. Further, the vapor liquid
Reboiler 136,806 136,806 136,691
Condenser 156,019 26,996 26,975 equilibrium information are provided elsewhere [57].
Compressor – 395,435 390,101
Total 577,991 844,403 829,183 8.1.2. Optimization outcome
Operating cost ($/year) 8.1.2.1. Factorial design approach. As described in Section 5.1, the
Coolant 16,707 1122 1123 typical range of the variables taken for the study is provided in
Steam 118,256 1846 1866
Table 8. The main effect (Fig. 11a and b) is provided to have a better
Electricity – 36,425 35,826
Total 125,157 39,394 38,815
insight into output responses. Unlike the previous case study, all the
TAC ($/year) 240,755 208,267 204,651 parameters were found to have a significant effect on the responses, i.e.,
TAC savings (%) – 13.5* 15* TAC and TAP. It is found that weir height does not have a noticeable
Capital cost/kg of product/year ($/kg·year) 0.12 0.1744 0.1720 impact on the TAC (Fig. 11a) but has a significant effect on TAP as it
Operating cost/kg of product ($/kg) 0.026 0.008135 0.008052
effects both on separation as well as reaction happening in the column
* With reference to CBD. as confirmed from Fig. 11b. Among all four variables, reboiler heat duty
is found to be significant dominating variable as the deviation from the
mean line is more in case of TAC and TAP. Here, we have not
considered steady state purity as a response due to the excessive time
shown, the retrofitted VRBD provides a close energy savings (i.e., required to achieve higher purity beyond 97%. So, we have taken a
65.63%) with the new VRBD (i.e., 66.15%) over the optimal CBD moderate 97% as steady state purity criterion by which TAP will be
column. Again, a significant reduction in specific energy requirement calculated, and the optimization problem is formulated accordingly by
(kWh/ton) is achieved for both the retrofitted VRBD (65.63%) and considering all the variables.
optimal VRBD (66.07%). As far as operating cost/kg of product is
concerned, the retrofitted VRBD gives 68.7% savings, whereas 69% 8.1.2.2. Optimization problem formulation. From the factorial analysis, it
savings is achieved by the optimal VRBD. As shown in Table 6, although can be concluded that all the parameters have more or less a detectable

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Main Effects Plot for TAC ($/yr)

(a) Data Means
NT Q R (kJ/min)

60000
50000
40000
30000
Mean ($/yr)

20000

4 11 17 24 30 1000 2250 3500 4750 6000

W H (cm) Re flux rat io (mole basis)

60000
50000
40000
30000
20000

2.54 5.08 7.62 10.16 0.01010 0.42857 1.00000 2.33333 9.00000

Main Effects Plot for TAP (kmol/yr)

(b) Data Means
NT QR (kJ/min)
2000

1500

1000
Mean (kmol/yr)

500

0
4 11 17 24 30 1000 2250 3500 4750 6000
W H (cm) Reflux ratio (mole basis)
2000

1500

1000

500

0
2.54 5.08 7.62 10.16 0.01010 0.42857 1.00000 2.33333 9.00000

Fig. 11. Main effects plots for the decision variables on TAC (plot a), TAP (plot b) respectively (Abscissa is mentioned at the top of each plot with unit).

effect on the outputs (i.e., TAC and TAP). The MOO problem for CBRD 8.1.2.3. Analysis of MOO results. The MOO problem of the CBRD is
design is framed in the following manner. solved five times using NSGA-II optimizer with MNG criterion of 50
generations and population of 70. The NDS [50] is used to generate the
Minimize f1 = total annual cost (TAC) (49)
‘true’ Pareto-optimal front having 28 non-dominated solutions. The
illustration for Pareto-optimal fronts, i.e., objective space and decision
Maximize f2 = total annual production (TAP) (50)
variable space for CBRD running in constant reflux mode, are provided
Subject to: in Figs. 12 and 13.
From Fig. 12a, it is evident that there is a smooth specific trend in
4 NT 30 (51)
trade-off between TAC and TAP. Although it seems to be bit dis-
1000 QR 6000 (52) continuous curve but the increasing trend is visible. Similarly, from
Fig. 12b and c, the lowest value of OC and CC is found to be the chosen
0.01 RR 10 (53) optimal point and the trend is found to be increasing although not
continuous. OC and CC (Fig. 12d) show an increasing trend with the
1 WH 4 (54)
TAP similar to that of Fig. 12a. Fig. 13 depicts the design space of de-
purity (avg.) = 90% (55) cision variables with that of objective functions. As NT and weir height
(WH ) are integer type of variables, the specific disjointed segments are
purity (steady state) = 97% (56) observed in Fig. 13a, b, g and h. All the non-dominated solutions are
found to have NT value in between 5 and 10 (Fig. 13a and b). As the
where NT , QR , RR and WH refer to the number of trays, reboiler heat
TAC value is highly influenced by the QR , the optimizer predicts the
duty (kJ/min), reflux ratio and weir height (inch) respectively.

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Fig. 12. Objective space showing the trade-off between two objectives (plot a), operating cost (OC) with total annual production (TAP) (plot b), capital cost (CC) with
TAP (plot c), and CC with OC (plot d) of the non-dominated solutions obtained. The filled circle corresponds to the chosen solution.
optimal point having the lowest reboiler heat duty. QR and RR are
continuous type variables, and the respective decision variable spaces
are provided in Fig. 13c, d, e and f.
8.1.3. Development of optimal CBRD
The optimum design and operating conditions are generated from
the optimization studies, as described in the previous section. The fol-
lowing optimum conditions are considered for the design of CBRD: total
five trays (excluding the reboiler and total condenser), a constant re-
boiler heat duty of 1333.7 kJ/min, a reflux ratio of 2.67 (mole basis)
during production phase and Raoult’s law for the vapor-liquid equili-
brium. Apart from these, the following assumptions are made for the
development of optimal CBRD: stage efficiency of 80%, atmospheric
pressure, stage pressure drop of 0.3 kPa, and Francis-weir equation for
tray hydraulics. The steady state of CBRD under total reflux is achieved
with a startup period of 24.7 h (=1480.18 min). The production phase
starts as soon as the steady state composition of ethyl acetate reaches
97 mol% with a distillate rate of 16.9 mol/min. The optimal distillate
rate not only shifts the reaction in the forward direction but also en-
hances the per cycle ethyl acetate production. The production phase is
continued until 31.9 h (1913 min excluding setup time) with 7.29 kmol
of ethyl acetate recovered out of 30 kmol of total feed having an
average purity of 90% per batch cycle. The dynamic profile for com-
position and temperature difference between reboiler temperature (TB )
and top tray temperature (TNT ) throughout the batch operation are
provided in Fig. 14a and b.
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8.1.4. Development of retrofitted VRBRD
As detailed previously (Section 3), the retrofitted VRBRD is devel-
oped by introducing heat pump in the optimal CBRD configuration. The
employment of heat pump is justified by the existence of positive
driving force throughout the batch operation (Fig. 14b). The VRBRD
column is devised by fixing two operating criteria, namely TT = 15 °C
and QR = 1333.7 kJ/min. It is evident from Fig. 14b that the maximum
temperature difference (TB TNT ) is 16.5 °C (at 344.3 min), and it cor-
responds to maximum CR of 2.02. To satisfy the first criterion, a vari-
able speed compressor is introduced, and the respective CR profile is
provided in Fig. 14c. The second criterion is fulfilled by providing an
adequate amount of external makeup heat. As shown in Fig. 14d, up to
114.57 min and from 401 min to 798 min of startup phase falls under
the first scenario (i.e., QOCV > QR ), and the rest of the time it falls under
the second scenario (i.e., QOCV < QR ). The respective manipulation of
external heat (QE ) and overhead vapor splitting (V5C ) profiles are pro-
vided in Fig. 14e and f respectively.
8.2. Optimizing VRBRD
The proposed optimization strategy is also demonstrated on vapor
recompressed reactive batch distillation unit operating at constant re-
flux mode. Here, the production of high purity ethyl acetate in reactive
batch distillation is considered for the optimization studies. The re-
spective information about system characteristics is provided in
Table 7.
S.S. Parhi et al. Applied Thermal Engineering 150 (2019) 1273–1296

Fig. 13. Decision variable space showing the trade-off between number of trays (NT ) with total annual cost (TAC) (plot a), NT with total annual production (TAP)
(plot b), reboiler heat duty (QR ) with TAC (plot c), QR with TAP (plot d), reflux ratio (RR ) with TAC (plot e), and RR with TAP (plot f), weir height (WH ) with TAC
(plot g), and WH with TAC (plot h) of the non-dominated solutions obtained.

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Fig. 14. Dynamic profile of optimal VRBD in term of distillate composition (plot a) and temperature difference, TB TNT (plot b), compression ratio, CR (plot c) and
that of retrofitted VRBD in terms of heat duty, QR (plot d), external heat supply, QE (plot e) and overhead vapor splitting (V5C ) profile (plot f).
8.2.1. Optimization outcome
8.2.1.1. Factorial design approach. The internal dynamics are kept same
for the vapor recompressed reactive system with that of its conventional
scheme. This signifies that the trend and responses will be similar between
them with a lesser but not insignificant variation of reboiler heat duty on
TAC. The rest of the effects will be similar as described earlier.
8.2.1.2. Optimization problem formulation. To achieve the target of
integrating the internal energy without changing the dynamics of the
systems, the optimization problem can be formed like that of CBRD. The
optimization problem is framed using NT , QR , RR and WH as decision
variables to minimize TAC while maximizing TAP. The ranges of
variables, objective functions and constraints are provided from Eqs.
(49)–(56).
8.2.1.3. Analysis of MOO results. The optimization studies of VRBRD
are performed five times followed by NDS study, where a total of 42
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points are generated to constitute the ‘true’ Pareto-optimal front. Like
CBRD studies, here a specific increasing trend between TAC and TAP is
observed as shown in Fig. 15a. Similar to CBRD studies, here the lowest
value of CC and OC is found to be the optimal point from TOPSIS
studies (Fig. 15b and c). A similar increasing trend is observed between
CC and OC (Fig. 15d). Fig. 16 depicts the decision variable space with
objective functions. A similar disjointed section is observed for NT and
weir height (WH ) due to integer type variables (Fig. 16a, b, g and h). In
Fig. 16c–f, No specific trend is observed for the continuous type
variables (i.e., QR and RR ). It is clear from the design space of
decision variables (Fig. 16) that the trends are not uniform as it was
like for the non-reactive systems.
8.2.2. Development of optimal VRBRD
Optimal VRBRD is reconstructed using the optimal values obtained
from the optimization study performed for reactive VRC column. The
optimum conditions are: seven trays (excluding the reboiler and total
S.S. Parhi et al.
Fig. 15. Objective space showing the trade-off between two objectives (plot a), operating cost (OC) with total annual production (TAP) (plot b), capital cost (CC) with
total annual production (TAP) (plot c), and capital cost (CC) with operating cost (plot d) of the non-dominated solutions obtained. The filled circle corresponds to the
chosen solution.
condenser) with stage efficiency of 80%, constant reboiler heat duty of
1130 kJ/min, operation at atmospheric pressure, stage pressure drop of
0.3 kPa, a reflux ratio of 2.56 (mole basis) during the production phase.
Francis-weir equation is assumed for tray hydraulics. The steady state of
VRBRD scheme is attained with a startup period of 23.5 h (=1410 min)
and a purity of 97%. Then, the production phase begins by withdrawing
the distillate stream with a flow rate of 15.64 mol/min for a period of
7.75 h (total batch cycle = 31.25 h excluding setup time) with 7.28
kmol of 90% ethyl acetate recovered out of 30 kmol of total feed. The
optimal VRBRD column is established by fixing two operating criteria,
namely, TT =15 °C and QR = 1130 kJ/min. The maximum temperature
difference (TB TNT ) is 18.9 °C at 468.4 min, and it represents the
maximum CR of 2.15. The respective CR profile (Fig. 17c) of variable
speed compressor is provided to satisfy the first criterion (i.e.,
QOCV > QR ). As shown in Fig. 14d, up to 107 min and from 521 min to
709 min of startup phase falls under the first scenario (i.e., QOCV > QR ),
and the rest of the time it falls under the second scenario (i.e.,
QOCV < QR ). To fulfill the second criterion (i.e., QOCV < QR ), the ex-
ternal heat (QE ) profile and overhead vapor split (V7C ) profile are pro-
vided in Fig. 14e and 14f respectively.
8.3. Performance improvement
This section deals with a comparative analysis of the optimal CBRD
and VRBRD configuration. Various performance indicators such as
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energy and TAC savings, TAP, and operating cost savings/kg of product
are employed to quantify the improvements. We have proposed optimal
conditions for both the existing and new plant (Table 9). It is evident in
Table 10 that with the inclusion of compressor for heat integration
purpose, the capital investment of VRBRD is higher than that of CBD. As
shown in Table 10, the retrofitted VRBRD secures an energy savings of
52.8% while optimal VRBRD achieves an energy savings of 55% com-
pared to the optimal CBD. A clear reduction in specific energy re-
quirement (kWh/ton) is observed for both the retrofitted VRBRD
(52.86%) and optimal VRBRD (55.86%). The payback period for ret-
rofitted VRBRD scheme is 1.03 years. In terms of operating cost/kg of
product, the retrofitted VRBRD secures 50% savings compared to 56%
savings achieved by optimal VRBRD. It is evident in Table 11 that al-
though the capital cost/kg of product/year is more in case of VRBRD
than the CBRD, overall the retrofitted scheme provides 14.3% and
optimal VRBRD achieves 14.5% TAC savings compared to the optimal
CBRD.
9. Conclusions
In this article, the optimal structure of vapor recompressed batch
distillation (VRBD) column is proposed for both existing process units
and commissioning a new plant. We have formulated a multi-objective
optimization (MOO) strategy based on NSGA-II algorithm for the con-
structions of optimal retrofitted VRBD and new VRBD. In the first step,
S.S. Parhi et al. Applied Thermal Engineering 150 (2019) 1273–1296

Fig. 16. Decision variable space showing variation of number of trays (NT ) with total annual cost (TAC) (plot a), NT with total annual production (TAP) (plot b),
reboiler heat duty (QR ) with TAC (plot c), QR with TAP (plot d), reflux ratio (RR ) with TAC (plot e), and RR with TAP (plot f), weir height (WH ) with TAC (plot g), and
WH with TAP (plot h) of the non-dominated solutions.

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Fig. 17. Dynamic profile of optimal VRBD in term of distillate composition (plot a) and temperature difference, TB TNT (plot b), compression ratio, CR (plot c) and
that of optimal VRBD in terms of heat duty, QR (plot d), external heat supply, QE (plot e) and overhead vapor splitting (V7C ) profile (plot f).

the MOO strategy is framed to select the dominating variables by full-
factorial analysis and the formulation of optimization problem is made
by using those dominating variables with considering two conflicting
performance criteria namely, total annual cost (TAC) and total annual
production (TAP). The “true” Pareto-optimal front is generated by
employing NSGA-II with the maximum number of generation (MNG) as
the stopping criterion, followed by non-dominated sorting (NDS) of
optimal results from several runs. Finally, optimal point is selected from
the “true” Pareto-optimal front using TOPSIS method and entropy in-
formation. The superiority of the proposed VRBD schemes (retrofitted
and the new one) is quantified in terms of various performance indices,
such as energy savings, TAC savings and operating cost savings/kg of
product. The optimization framework is successfully applied on a non-
reactive and reactive wide boiling system with three and four decision
variables, respectively. For the nonreactive system, the retrofitted
VRBD provides a close energy saving (i.e., 65.6%) with the new optimal
VRBD (i.e., 66.15%) with reference to the optimal CBD column. As far
as the operating cost/kg of product is concerned, the retrofitted VRBD
secures 68.7% savings, whereas 69% savings is achieved by the optimal
VRBD. The retrofitted scheme provides 13.5%, and optimal VRBD
achieves 15% TAC savings compared to the CBD. Similarly, for the
reactive system, the retrofitted VRBRD secures an energy savings of

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