Topic: Use of

Numerical
Integration in Batch
Distillation

Submitted To: Dr.

Brajesh Kumar Jha

Submitted By:
1) Maharishi Patel
Numerical Method (16BPE055)
2) Savan Sardhara
for Petroleum
(16BPE110)
Engineering 3) Sarvesh Agrawal
(16BPE111)
Computing 4) Prashant Shingala
(16BPE116)
5) Nikhil Vyas
(16BPE140)
6) Pratik Sakariya
(16BPE147)

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 ACKNOWLEDGEMENT

We are highly indebted to Dr. Brajesh Kumar Jha for their guidance and supervision as well
as for providing necessary information regarding the project on ‘Application of Numerical
Integration Methods in Batch Distillation Column’ & also for their support in completing the
project. This project helped us clear our concepts on Numerical Integration Methods and
enhanced our knowledge of the subject by providing us with a practical perspective of the
same. We would like to express our member of project for their kind co-operation and
encouragement which help in completion of this project. Our thanks and appreciations also go
to our colleague in developing the project and people who have willingly helped us out with
their abilities.

Name Dr. Brajesh Kumar Jha

Designation Assistant Professor
Department of
Department Mathematics, SOT

Email Brajesh.Jha@sot.pdpu.ac.in
Phone +91-9662932852

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 INTRODUCTION

Distillation
• Process in which a liquid or vapour mixture of two or more substances is separated into
its component fractions of desired purity, by the application and removal of heat.

• Distillation is the method for purifying and separating mixtures of liquids into their
individual having different vapour pressures.

Figure 1: Distillation Process

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 Application of distillation

 The application of distillation can roughly be divided into four groups: laboratory
scale, industrial distillation, distillation of herbs for perfumery and medicinal (herbal
distillate), and food processing. The latter two are distinctively different from the former
two in that distillation is not used as a true purification method but more to transfer
all volatiles from the source materials to the distillate in the processing of beverages and
herbs.

 The main difference between laboratory scale distillation and industrial distillation is

that laboratory scale distillation is often performed on a batch basis, whereas industrial
distillation often occurs continuously. In batch distillation, the composition of the
source material, the vapours of the distilling compounds, and the distillate change during
the distillation. In batch distillation, a still is charged (supplied) with a batch of feed
mixture, which is then separated into its component fractions, which are collected
sequentially from most volatile to less volatile, with the bottoms – remaining least or
non-volatile fraction – removed at the end. The still can then be recharged and the
process repeated.

 The main use of distillation in the petroleum downstream sector is to mainly refine

petroleum crude oil. We do distillation of the crude oil to get various valuable product
from it like: LPG, Diesel, Petrol, Lubricants, Petroleum Jellies, etc. This valuable
product can be use for various purposes like lubricants in industries, LPG, diesel, petrol,
etc. can be used as fuel in industries or as a fuel in vehicles.

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 Classification based on Design
1. Batch, in which the feed to the column is introduced batch-wise. That is, the column
is charged with a 'batch' and then the distillation process is carried out. When the desired
task is achieved, a next batch of feed is introduced.

2. Continuous, it processes a continuous feed stream. No interruptions occur unless

there is a problem with the column or surrounding process units. They are capable of
handling high throughputs.

FIGURE 2: Types of distillation processes: (a) batch distillation, and (b) continuous
distillation

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 Batch Distillation
 Heating an ideal mixture of two volatile substances, A and B, with A having the higher
volatility, or lower boiling point, in a batch distillation setup until the mixture is boiling
results in a vapor above the liquid that contains a mixture of A and B. The ratio between
A and B in the vapor will be different from the ratio in the liquid. The ratio in the liquid
will be determined by how the original mixture was prepared, while the ratio in the
vapor will be enriched in the more volatile compound, A. The vapor goes through the
condenser and is removed from the system. This, in turn, means that the ratio of
compounds in the remaining liquid is now different from the initial ratio (i.e., more
enriched in B than in the starting liquid).

Figure 3: Batch Distillation

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  The result is that the ratio in the liquid mixture is changing, becoming richer in
component B. This causes the boiling point of the mixture to rise, which results in a rise
in the temperature in the vapor, which results in a changing ratio of A: B in the gas
phase as distillation continues, there is an increasing proportion of B in the gas phase.
This results in a slowly changing ratio of A: B in the distillate.

 If the difference in vapor pressure between the two components A and B is large –
generally expressed as the difference in boiling points – the mixture in the beginning of
the distillation is highly enriched in component A, and when component A has distilled
off, the boiling liquid is enriched in component B.

 Batch distillation is versatile and commonly employed for producing biochemical,

biomedical, and/or pharmaceutical products, in which the production amounts are small
but a very high purity and/or an ultra-clean product is needed.

The equipment for batch distillation can be arranged in a wide variety of configurations:

1) Simple Batch Distillation:

 In a simple batch distillation, vapour (i.e. the product) is withdrawn from the top of the
re-boiler which is also called the “still pot” continuously, and by doing so, the liquid
level in the still pot is decreasing continuously.
2) Constant-level Batch Distillation:
 It is like the simple batch distillation, however, in this configuration, the liquid (i.e. the
feed) is continuously fed into the still pot to keep the liquid level in the pot constant.
3) Multi-stage Distillation:
 In multi-stage distillation, no distillate is withdrawn from the column, thus resulting in
a continuous change in the concentration or composition of liquid in the still pot.

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 Simple Batch Distillation
The analysis of simple distillation presented by Rayleigh in 1902 marks the earliest
theoretical work on batch distillation. Simple distillation, also known as Rayleigh distillation
or differential distillation is the most elementary example of batch distillation. In this
distillation system, the vapor is removed from the still during a time interval and is
condensed in the condenser. The more volatile component is richer in the vapor than in the
liquid remaining in the still. Over time, the liquid remaining in the still begins to experience
a decline in the concentration of the more volatile component, while the distillate collected in
the condenser becomes progressively more enriched in the more volatile component.

Notations:
L: amount of liquid in the still pot
(mol)
x: composition of liquid in the still
pot (mole fraction)
y: instantaneous composition of
vapour
𝑦̅: average composition of vapour
(distillate product)
V (= D): amount of distillate
Figure 4: Simple batch distillation

x-y Phase Diagram for vapour liquid equilibrium of a Binary Mixture

a b

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By distilling out an infinitesimal quantity dV the variation of parameters is dL, dx (y is
supposed unchanged, that is, dy = 0)

Types of balances at equilibrium

 Balances for the whole process

dL + dV = 0

 Differential balances for a given time

L·x = (L + dL) · (x + dx) + y·dV where dV = − dL

L·x = L·x + x·dL + L·dx + dL·dx - y·dL

Separating the variables:

x·dL + L·dx − y·dL = 0

L·dx = (y – x) ·dL
𝑑𝐿 𝑑𝑥
=
𝐿 𝑦−𝑥

By integrating (1) condition to (2) condition.

L2 dL X2 𝑑𝑥
∫L1 L
= ∫X1
𝑦−𝑥

Here L can be calculated analytically so,

L2 X2 𝑑𝑥
ln( )= ∫X1 , this equation is known as Rayleigh equation.
L1 𝑦−𝑥

The RHS side then must be calculated using Numerical Integration by Trapezoidal rule.

Quantity of vapour is determined by

V= L1-L2.

The average composition of distillate is given by

𝐿1𝑥1−𝐿2𝑥2
𝑦̅ =
𝑉

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 TRAPEZOIDAL RULE

 The trapezoidal rule is one of a family of formulas for numerical

integration called Newton – Cotes Formulas, of which the midpoint rule is like the
trapezoid rule. Simpson’s rule is another member of the same family, and in general has
faster convergence than the trapezoidal rule for functions which are twice continuously
differentiable, though not in all specific cases. However, for various classes of rougher
functions (ones with weaker smoothness conditions), the trapezoidal rule has faster
convergence in general than Simpson's rule.
 Moreover, the trapezoidal rule tends to become extremely accurate when
periodic function is integrated over their periods, which can be analysed in various
ways. A similar effect is available for peak functions.

Trapezoidal rule, which is depicted in above figure. Under this rule, Integration is evaluated
by dividing the area into little trapezoids and then adding up their corresponding areas.

We know about the Newton’s Forward Interpolation is

𝑟(𝑟 − 1) 2 𝑟(𝑟 − 1)(𝑟 − 2) 3

𝑓(𝑥) = 𝑦 = 𝑦0 + 𝑟∆𝑦0 + ∆ 𝑦0 + ∆ 𝑦0 + ⋯
2! 3!

Here we want to integrate between point a and b, so we take point a as 𝑥0 and take point b
as 𝑥0 + 𝑛ℎ.

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Numerical Integration We can write as,

𝑥0 +𝑛ℎ
𝐼 = ∫ 𝑓(𝑥)𝑑𝑥
𝑥0

𝑥0 +𝑛ℎ
𝑟(𝑟 − 1) 2 𝑟(𝑟 − 1)(𝑟 − 2) 3
𝐼 = ∫ 𝑦0 + 𝑟∆𝑦0 + ∆ 𝑦0 + ∆ 𝑦0 + ⋯ 𝑑𝑥
𝑥0 2! 3!

Here, x = 𝑥0 + 𝑟ℎ

∴ dx = h dr

Put above value of dx in equation

𝑛
𝑟(𝑟 − 1) 2 𝑟(𝑟 − 1)(𝑟 − 2) 3
= ℎ ∫ [𝑦0 + 𝑟∆𝑦0 + ∆ 𝑦0 + ∆ 𝑦0 + ⋯ ] 𝑑𝑟
2! 3!
0

𝑛
𝑟2 1 𝑟3 𝑟2 2 1 𝑟4
= ℎ [𝑟𝑦0 + ∆𝑦0 + [ − ] ∆ 𝑦0 + [ − 𝑟 3 + 𝑟 2 ] ∆3 𝑦0 + ⋯ ]
2 2 3 2 3 4 0

𝑛 𝑛(2𝑛 − 3) 2 𝑛(𝑛2 − 4𝑛 + 4) 3
= 𝑛ℎ [𝑦0 + ∆𝑦0 + ∆ 𝑦0 + ∆ 𝑦0 + ⋯ ]
2 12 24

If we put here n=1 we get the First Interval

1
𝐼1 = ℎ [𝑦0 + ∆𝑦0 ]
2

ℎ
= [2𝑦0 + 𝑦1 − 𝑦0 ]
2
ℎ
= [𝑦 + 𝑦1 ]
2 0

For the second Interval,

𝐼2 = ℎ[𝑦1 + ∆𝑦1 ]

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 ℎ
= [2𝑦1 + 𝑦2 − 𝑦1 ]
2
ℎ
= [𝑦 + 𝑦0 ]
2 1

For the third Interval,

ℎ
𝐼3 = [𝑦 + 𝑦0 ]
2 2

And for the 𝑛𝑡ℎ Interval,

ℎ
𝐼𝑛 = [𝑦 − 𝑦𝑛 ]
2 𝑛−1

So, Integration of all area we can write as,

𝐼 = 𝐼1 + 𝐼2 + 𝐼3 + ⋯ + 𝐼𝑛

At last we can get the equation,

ℎ
𝐼= [𝑦 + 𝑦𝑛 + 2[𝑦1 + 𝑦2 + 𝑦3 + ⋯ + 𝑦𝑛−1 ]]
2 0

Above Integration Equation is known as Trapezoidal Formula.

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Example: 10 Kmol of mixture of Benzene – Toluene is separated by differential
distillation. The feed contains 80 mol% of Benzene. The residue contains 50 mol% Benzene.
a) Calculate the number of moles to be vaporized.
b) Determine the quantity of the residue.
c) Calculate the average composition of the distillate.

X Y y-x 1/(y-x)

0.80 0.915 0.115 8.69 y0

0.75 0.895 0.145 6.89 y1

0.70 0.871 0.171 5.85 y2

0.65 0.845 0.195 5.13 y3

0.60 0.825 0.225 4.44 y4

0.50 0.780 0.280 3.57 y5

Solution:

First to determine number of vaporized moles from Rayleigh’s rule

L2 𝑥2 𝑑𝑥
ln( )= ∫𝑥1
L1 𝑦−𝑥

Here,

L1= 10 Kmol of benzene

X2= 50 mol% residue benzene

X1= 80 mol% feed benzene

L2, V and 𝑦̅ have to find out.

L2 0.5 𝑑𝑥
By trapezoidal rule, ln( )= ∫0.8
L1 𝑦−𝑥

L2 0.8 𝑑𝑥
ln( )= − ∫0.5
L1 𝑦−𝑥

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 L2 ℎ
− ln( ) = [y0+y5+2{y1+y2+y3+y4}]
L1 2

Here h = 0.1 so,

L2 0.05
− ln( )= [ 8.69+3.57+2{6.89+5.85+5.13+4.44}]
L1 2

L2 0.05
−ln( )= [ 12.26+2{22.31}]
L1 2

L2 0.05
− ln( )= [ 12.26+44.62]
L1 2

L2 0.05
−ln( )= [ 56.88]
L1 2

L2 2.844
−ln( )=
L1 2

L2
−ln( ) = 1.422
L1

L2 = L1 𝑒 −1.422

L2 = L1 *0.2412

L1 =10 Kmol is given, L2 = 10*0.2412

L2 = 2.412 Kmol

Quantity of vapour is determined by

V= L1-L2

V= 10-2.412

V= 7.588 Kmol.

The average composition of distillate is given by

𝐿1𝑥1−𝐿2𝑥2
𝑦̅ =
𝑉

(10∗0.8)−(2.412∗0.5)
𝑦̅ =
7.588

𝑦̅ = 0.8954.

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 Conclusion

 Numerical integration by trapezoidal rule is very effective to find the amount of desired
product and we use this method because it gives solution close to the analytical. Other
numerical integration methods like Simpson’s 1/3 rd & 3/8th method can’t be applied
because the number of intervals are not fixed.

 The result can be used to determine the amount of the reflux that has to be sent back to
the column to maintain the temperature of trays which directly affect the quality of the
desired product.

 The required number of the trays can be calculated by observing the result which affects
the quantity of the desired products.

 The quantity of desired product mainly depends upon the temperature of the trays which
is mainly supplied by the reboiler to the column that can be calculated from this.

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 References

 Antoine, The. “Vapour-Liquid Equilibrium Conditions ( VLE ).”

 Concepts, New. “New Concepts and Techniques for Hydrocarbon Separation 29.”

 Diwekar, Urmila, and Ki-Joo Kim. 2005. Batch Distillation.

http://www.crcnetbase.com/doi/abs/10.1201/9781420028164.ch5.

 Dutta, Binay K. 2009. “Principles of Mass Transfer and Separation Processes.” The
Canadian Journal of Chemical Engineering 87(5): 818–19.
http://doi.wiley.com/10.1002/cjce.20228.

 Mustafa, Mustafa Abbas. 2017. “A Step Towards Optimal Operation and Control of
Batch Distillation Columns Using Reinforcement Learning.” (November 2016).

 Nicol, D A. 2014. “Batch Distillation.” Whisky Technology, Production and

Marketing: 155–77.

 Stojkovic, Marija, Vincent Gerbaud, and Nataliya Shcherbakova. 2017. “Batch

Distillation of Binary Mixtures: Preliminary Analysis of Optimal Control.” IFAC-
PapersOnLine 50(1): 4899–4904.

 Ebrahim, Mubarak, and Al Kawari. 2000. “Pinch Technology: An Efficient Tool for
Chemical-Plant Energy and Capital-Cost Saving.” In Applied Energy.

 Halima, Iskandar, and Rajagopalan Srinivasan. 2008. “Designing Sustainable

Alternatives for Batch Operations Using an Intelligent Simulation-Optimization
Framework.” In Chemical Engineering Research and Design,.

 Jana, Amiya K. 2016. “A New Divided-Wall Heat Integrated Distillation Column

(HIDiC) for Batch Processing: Feasibility and Analysis.” Applied Energy.

 Sébastien, Pommier et al. 2005. “Heterogeneous Batch Distillation Processes: Real

System Optimisation.” Computer Aided Chemical Engineering.

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