VAPOR LIQUID EQUILIBRIUM USING CUBIC EOS METHOD

Submitted by

SHABI HASNAIN (R900215106)

SHIRISH MAHESHWARI (R900215110)
SRIJAN GUPTA (R900215117)
WAGEESH GAHTORI (R900215129)

in partial fulfillment of the requirements for the award of the degree of

BACHELOR OF TECHNOLOGY
In
CHEMICAL ENGINEERING
with specialization in
REFINING & PETROCHEMICALS

Under the guidance of

MR. AMIT KUMAR THAKUR

ASSISTANT PROFESSOR
DEPARTMENT OF CHEMICAL ENGINEERING
AND
DR. RAHUL KUMAR
ASSISTANT PROFESSOR
DEPARTMENT OF CHEMICAL ENGINEERING

DEPARTMENT OF CHEMICAL ENGINEERING

UNIVERSITY OF PETROLEUM & ENERGY STUDIES

Bidholi Campus, Energy Acres,
Dehradun-248007

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 CONTENTS

S.no. Topic Page No.

1.1 Abstract 3
1.2 Introduction 4-5
1.3 Literature Review 6-9
1.4 Methodology 10-11
1.5 Timeline of the work 12
1.6 References 13

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 1.1 ABSTRACT

Cubic condition of state for unadulterated liquids is exhibited in this work. The new condition
requires the basic temperature and weight, and in addition two extra parameters to describe every
specific liquid. These parameters have been assessed by limiting deviations in immersed fluid
densities while at the same time fulfilling the uniformity of fugacity along the immersion bend.
In this way, great expectations of volumetric properties in the fluid locale are acquired, while
exactness in vaporfluid harmony estimations is kept up. Parameters for polar and also
nonpolar liquids are displayed in this paper. It is demonstrated that the new condition duplicates
a considerable lot of the great highlights of the Soave and PengRobinson conditions of state
for nonpolar liquids, while conquering a portion of the impediments of these conditions for polar
liquids. Utilizations of the condition of state to the relationship of stage equilibria are illustrated.
Another way to deal with plotting the information of vapor fluid balance with given escalated
esteem is proposed. Through cycle, the estimation of dimensionless fugacity coefficient is to be
discovered which brings about getting dew point, bubble point, dew temperature and air pocket
temperature. For different temperature and weight profile (low/direct temperature), diverse charts
will be gotten in MATLAB.
This approach is appropriate for scopes of weight including basic and supercritical weights. The
condition of conditions approach does not furnish us with the correct type of conditions of
conditions of blends. This outcome in off base information while blending of polar (exceedingly
polar liquids) and hydrogen segments and furthermore when huge particles are included of
fluctuating shapes.

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 1.2 INTRODUCTION
An adjusted Redlich-Kwong condition of state is proposed. Vapor weights of unadulterated
mixes can be nearly replicated by accepting the parameter an in the first condition to be
temperature-subordinate. With the presentation of the acentric factor as a third parameter, a
summed-up relationship for the changed parameter can be inferred. It applies to every nonpolar
compound.
With the use of the first summed up blending rules, the proposed condition can be stretched out
effectively to multicomponent-VLE counts, for blends of nonpolar substances,
At the same T and P if multiple phases are in equilibrium then the fugacity of each constituent
species is same in all the phases, for a specific case of multicomponent vapor/liquid equilibrium:

where,
fiv, = fugacity in vapor phase of ith component
fil = fugacity in liquid phase of ith component
Substituting the values of the fugacity in vapor and liquid phase we get the final multicomponent
VLE equation:

=
where,
yi = mole fraction of ith component in vapor phase
xi = mole fraction of ith component in liquid phase
P = total pressure
= fugacity coefficient of ith component in vapor phase

= fugacity coefficient of ith component in liquid phase

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1.2.1 MOTIVATION FOR THE PRESENT WORK
Vapor Liquid Equilibrium utilizing cubic condition of state is a point which has various
applications in the field of concoction building. As said above, it is utilized as a part of different
procedures, for example, refining, retention and so on and will be of gigantic use to us in the
business.
Through this venture, we will get a concise knowledge about how to program on MATLAB, how
to run codes and how to accumulate data to produce eminent information. Since this undertaking
straightforwardly connects us profoundly subject of our branch, Thermodynamics, we are
looking forward to work for this venture.
Under the direction of our faculty members, Mr. Amit Kumar Thakur and Mr. Rahul Kumar, we
would like to grow our frame of reference and take in more about different thermodynamic
points. It is likewise beneficial to take note of that this subject has been a zone of enthusiasm for
every group member and we plan to introduce a commendable investigation of the same.
1.2.2 OBJECTIVE
To study Vapor Liquid Equilibrium using Cubic equation of state approach.

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 1.3 LITERATURE REVIEW

1.3.1 Raoults Law

It is phenomenological that assumes ideal behavior based on the simple microscopic assumption
that intermolecular forces between unlike molecules are equals to those between similar
molecules.
Definition: Vapor pressure of an ideal solution is proportional to the mole fraction of solvent.

= (i=1,2,.,N)

where,
yi = mole fraction of ith component in vapor phase
xi = mole fraction of ith component in liquid phase
P = total pressure
Pisat = vapor pressure of ith component

1.3.2 Fugacity
It is a thermodynamic property of a real gas which if substituted for the pressure or partial in the
equation for an ideal gas gives equation applicable to the real gas.
Since, at constant temperature, for ideal gas,
dG = RT d(ln P)
So for real gas,
dG = RT d(ln fi)
where,
fi = fugacity of pure species i

Fugacity coefficient


=

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where,
i = fugacity coefficient
fi = fugacity of ith component
P = pressure

1.3.3 Fugacity coefficient from Virial Equation of State

Virial Equation of State truncated to two terms:

=1+



= ( 1)
0

Therefore,
where,
Z=compressibility factor
R = Universal constant
T = Temperature
1.3.4 Van der waal EOS

( + ) =

a, b= positive constants

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1.3.5 Soave Redlich kwong EOS

()
=
( + )

a(T), b =substance dependent constant

1.3.6 Generic EOS

()
=
( + )( + )
, = pure numbers which remain same for all substances

1.3.7 Vapor and Vapor like roots of the generic equation of state



()



= +
( + )( + )

1.3.8 Liquid and Liquid like roots of the generic equation of state

=

( )
=

+
= + ( + )( + ) ( )

, = pure numbers.

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1.3.9Compressiblity factor for pure vapor

= +
( + )( + )

1.3.10Compressibility factor for pure Liquid

+
= + ( + )( + )( )

( )
() =


=

()
=

1.3.11Mixture VLE

= ( ) ( )

=

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 1.4 METHODOLOGY
Our project includes calculation of Bubble Point Pressure, Dew Point Pressure, Bubble Point
Temperature, Dew Point Temperature and also generating P vs V, P vs T, P vs x, y graphs using
MATLAB.

Bubble Pressure Calculation:

1. Input the values of T, xi and EOS parameters and estimates of P and yi.

2. Evaluate , ,
3. Calculate and

4. Calculate all =

5. Reevaluate , , and
6. If has changed, then go to step 4.
7. If 1, then adjust P and go to step 2.
8. If = 1, then print P and yi.

Dew Pressure Calculation:

1. Input the values of T, yi and EOS parameters and estimates of P and xi.

2. Evaluate , ,

3. Calculate and

4. Calculate all =

5. Reevaluate , , and

6. If has changed, then go to step 4.


7. If 1, then adjust P and go to step 2.

8. If = 1, then print P and xi.

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Bubble Temperature Calculation:
1. Input the values of P, xi and EOS parameters and estimates of T and yi.

2. Evaluate , ,
3. Calculate and

4. Calculate all =

5. Reevaluate , , and
6. If has changed, then go to step 4.
7. If 1, then adjust T and go to step 2.
8. If = 1, then print T and yi.

Dew Temperature Calculation:

1. Input the values of P, yi and EOS parameters and estimates of T and xi.

2. Evaluate , ,

3. Calculate and

4. Calculate all =

5. Reevaluate , , and

6. If has changed, then go to step 4.

7. If 1, then adjust T and go to step 2.

8. If = 1, then print T and xi.

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1.5 TIMELINE

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 1.6 REFERENCES
Introduction to Chemical Engineering Thermodynamics, 7th Edition by J.M Smith, H. C.
Van Ness, M. M. Abbott.
Jaubert, Jean-Nol & Mutelet, Fabrice. (2004). VLE Predictions With the PengRobinson
Equation of State and Temperature Dependent kij Calculated Through a Group
Contribution Method. Fluid Phase Equilibria. 224. 285-304. 10.1016/j.fluid.2004.06.059.
Engineering thermodynamics, P K Nag

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