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PETE 310 Lectures # 32 to 34. Cubic Equations of State. …Last Lectures. Instructional Objectives. Know the data needed in the EOS to evaluate fluid properties Know how to use the EOS for single and multicomponent systems

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Pete 310 lectures 32 to 34

PETE 310Lectures # 32 to 34

Cubic Equations of State

…Last Lectures


Instructional objectives
Instructional Objectives

  • Know the data needed in the EOS to evaluate fluid properties

  • Know how to use the EOS for single and multicomponent systems

  • Evaluate the volume (density, or z-factor) roots from a cubic equation of state for

    • Gas phase (when two phases exist)

    • Liquid Phase (when two phases exist)

    • Single phase when only one phase exists


Equations of state eos
Equations of State (EOS)

  • Single Component Systems

    Equations of State (EOS) are mathematical relations between pressure (P) temperature (T), and molar volume (V).

  • Multicomponent Systems

    For multicomponent mixtures in addition to (P, T & V) , the overall molar composition and a set of mixing rules are needed.


Uses of equations of state eos
Uses of Equations of State (EOS)

  • Evaluation of gas injection processes (miscible and immiscible)

  • Evaluation of properties of a reservoir oil (liquid) coexisting with a gas cap (gas)

  • Simulation of volatile and gas condensate production through constant volume depletion evaluations

  • Recombination tests using separator oil and gas streams


Equations of state eos1
Equations of State (EOS)

  • One of the most used EOS’ is the Peng-Robinson EOS (1975). This is a three-parameter corresponding states model.


Pv phase behavior

T

T

c

c

CP

e

e

sur

sur

T

Pres

Pres

2

v

P

1

T

1

L

2

-

P

has

es

V

L

V

Mo

Mo

la

la

r

r

V

V

o

o

lu

lu

m

m

e

e

PV Phase Behavior

Pressure-volume behavior indicating isotherms for a pure component system


Equations of state eos2
Equations of State (EOS)

  • The critical point conditions are used to determine the EOS parameters


Equations of state eos3
Equations of State (EOS)

  • Solving these two equations simultaneously for the Peng-Robinson EOS provides

  • and


Equations of state eos4
Equations of State (EOS)

Where

and

with


Eos for a pure component
EOS for a Pure Component

CP

CP

e

e

e

sur

sur

sur

T

T

Pres

Pres

Pres

2

2

4

4

T

T

1

1

v

v

3

3

5

5

A

A

A

2

2

2

1

1

P

P

1

1

-

-

L

L

1

1

1

A

A

A

1

1

1

æ

æ

ö

ö

P

P

1

1

1

0

0

2

2

2

>

>

ç

ç

÷

÷

0

0

V

V

~

~

0

è

è

ø

ø

V

V

T

T

2

2

-

-

P

P

has

has

es

2

2

L

L

V

V

7

7

6

6

Mo

Mo

la

la

r

r

V

V

o

o

lu

lu

m

m

e

e


Equations of state eos5
Equations of State (EOS)

  • PR equation can be expressed as a cubic polynomial in V, density, or Z.

with


Equations of state eos6
Equations of State (EOS)

  • When working with mixtures (aa) and (b) are evaluated using a set of mixing rules

  • The most common mixing rules are:

    • Quadratic for a

    • Linear for b


Quadratic mr for a
Quadratic MR for a

  • where the kij’s are called interaction parameters and by definition



Example
Example

  • For a three-component mixture (Nc = 3) the attraction (a) and the repulsion constant (b) are given by


Equations of state eos7
Equations of State (EOS)

  • The constants a and b can be evaluated using

    • Overall compositions zi with i = 1, 2…Nc

    • Liquid compositions xi with i = 1, 2…Nc

    • Vapor compositions yi with i = 1, 2…Nc


Equations of state eos8
Equations of State (EOS)

  • The cubic expression for a mixture is then evaluated using


Analytical solution of cubic equations
Analytical Solution of Cubic Equations

  • The cubic EOS can be arranged into a polynomial and be solved analytically as follows.


Analytical solution of cubic equations1
Analytical Solution of Cubic Equations

  • Let’s write the polynomial in the following way

    Note: “x” could be either the molar volume, or the density, or the z-factor


Analytical solution of cubic equations2
Analytical Solution of Cubic Equations

  • When the equation is expressed in terms of the z factor, the coefficients a1 to a3 are:




Procedure to evaluate the roots of a cubic equation analytically2
Procedure to Evaluate the Roots of a Cubic Equation Analytically

  • If a1, a2 and a3 are real and if D = Q3 + R2 is the discriminant, then

    • One root is real and two complex conjugate if D > 0;

    • All roots are real and at least two are equal if D = 0;

    • All roots are real and unequal if D < 0.



Procedure to evaluate the roots of a cubic equation analytically4
Procedure to Evaluate the Roots of a Cubic Equation Analytically

where x1, x2 and x3 are the three roots.


Procedure to evaluate the roots of a cubic equation analytically5
Procedure to Evaluate the Roots of a Cubic Equation Analytically

  • The range of solutions that are used for the engineer are those for positive volumes and pressures, we are not concerned about imaginary numbers.


Solutions of a cubic polynomial
Solutions of a Cubic Polynomial Analytically

From the shape of the polynomial we are only interested in the first quadrant.


Solutions of a cubic polynomial1
Solutions of a Cubic Polynomial Analytically

  • http://www.uni-koeln.de/math-nat-fak/phchem/deiters/quartic/quartic.html contains Fortran codes to solve the roots of polynomials up to fifth degree.



Eos for a pure component1
EOS for a Pure Component polynomials up to fifth degree

CP

CP

e

e

e

sur

sur

sur

T

T

Pres

Pres

Pres

2

2

4

4

T

T

1

1

v

v

3

3

5

5

A

A

A

2

2

2

1

1

P

P

1

1

-

-

L

L

1

1

1

A

A

A

1

1

1

æ

æ

ö

ö

P

P

1

1

1

0

0

2

2

2

>

>

ç

ç

÷

÷

0

0

V

V

~

~

0

è

è

ø

ø

V

V

T

T

2

2

-

-

P

P

has

has

es

2

2

L

L

V

V

7

7

6

6

Mo

Mo

la

la

r

r

V

V

o

o

lu

lu

m

m

e

e


Parameters needed to solve eos
Parameters needed to solve EOS polynomials up to fifth degree

  • Tc, Pc, (acentric factor for some equations I.e Peng Robinson)

  • Compositions (when dealing with mixtures)

    • Specify P and T  determine Vm

    • Specify P and Vm  determine T

    • Specify T and Vm  determine P


Tartaglia the solver of cubic equations
Tartaglia: the solver of cubic equations polynomials up to fifth degree

http://es.rice.edu/ES/humsoc/Galileo/Catalog/Files/tartalia.html


Cubic equation solver
Cubic Equation Solver polynomials up to fifth degree

http://www.1728.com/cubic.htm


Equations of state eos9
Equations of State (EOS) polynomials up to fifth degree

  • Phase equilibrium for a single component at a given temperature can be graphically determined by selecting the saturation pressure such that the areas above and below the loop are equal, these are known as the van der Waals loops.


Two phase vle
Two-phase VLE polynomials up to fifth degree

  • The phase equilibria equations are expressed in terms of the equilibrium ratios, the “K-values”.


Dew point calculations
Dew Point Calculations polynomials up to fifth degree

  • Equilibrium is always stated as:

    (i = 1, 2, 3 ,…Nc)

  • with the following material balance constrains


Dew point calculations1
Dew Point Calculations polynomials up to fifth degree

  • At the dew-point

(i = 1, 2, 3 ,…Nc)


Dew point calculations2
Dew Point Calculations polynomials up to fifth degree

  • Rearranging, we obtain the Dew-Point objective function


Bubble point equilibrium calculations
Bubble Point Equilibrium Calculations polynomials up to fifth degree

  • For a Bubble-point


Flash equilibrium calculations
Flash Equilibrium Calculations polynomials up to fifth degree

  • Flash calculations are the work-horse of any compositional reservoir simulation package.

  • The objective is to find the fv in a VL mixture at a specified T and P such that


Evaluation of fugacity coefficients and k values from an eos
Evaluation of Fugacity Coefficients and K-values from an EOS polynomials up to fifth degree

  • The general expression to evaluate the fugacity coefficient for component “i” is


Evaluation of fugacity coefficients and k values from an eos1
Evaluation of Fugacity Coefficients and K-values from an EOS polynomials up to fifth degree

  • The final expression to evaluate the fugacity coefficient using an EOS is.


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