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Bubble Point and Dew Point Calculations

The bubble point of a system is the temperature at which a liquid mixture begins to vaporize. The dew point is the temperature at which liquid begins to condense out of the vapor. If there is enough volume in the fluid, the bulk fluid concentration will remain unchanged after the first small bubble or drop of liquid is formed. This calculation is important for vapor liquid equilibrium processes such as distillation, adsorption and stripping. The program uses empirical data of vapor liquid equilibrium as a function of temperature and iteratively finds temperature with the Newton Raphson method. There is also a version using the Excel goal seek to demonstrate a easier way to program this. Notation T - Temperature (OK) i - Subscript for each component i n- Subscript for each iteration K - vapor liquid equilibrium constant x - mole Fraction in liquid phase y - mole fraction in vapor phase F(T) - Newton Raphson function Equations for Bubble Point

Ki(T) = ai +biT +ciT + diT yi = xi*Ki(T)

from empirical data from definition of vapor liquid equilibrium constant The vapor phase mole fractions add to 1

K
i 1

(T ) x i 1

For Newton Raphson Method

F (T ) K i (T ) x i 1 0
i

Define a function that iterates to 0

F (T )

(b
i

2 c i T 3d i T 2 ) * x i

Differentiating F(T)

Tn1 Tn F(T ) F(T )

Newton Raphson Eq.

Equations for Dew Point

Ki(T) = ai +biT +ciT2 + diT3 xi = yi/Ki

from empirical data from definition of vapor liquid equilibrium constant

The liquid phase mole fractions add to 1

For Newton Raphson Method

F (T )

xi 1
dK (T ) dT

Define a function that iterates to 0

F (T ) 1 yi K i2

Differentiating F(T)

F (T ) (bi 2 CiT 3 d iT 2 ) ( xi / K i (T )) Substituting xi for yi/ki


SpreadSheets BBLpt Dewpt BBLGS Bubble point calculation with Newton Raphson Iteration Dew point calculation with Newton Raphson Method Bubble point repeated but with Excel Goal Seeker used for iterative solution

Bubble Point Calculation

Input Component Liq Fractions (Xi) Number of compounds Component 1 2 3 4 5 6 7 Temp Initial Guess Run Program Output BBL Pt. Temp.

1 0.493

2 0.403

3 0.098

4 0.006

6 Total Xi=

7 1.000

4 counts compounds alpha -1.6 -0.84 -0.52 -0.12 beta 0.03 0.014 0.007 0.002 gamma 0 0 0 0 delta 0 0 0 0 Epsilon 0 0 0 0

200
Run BBL Point Clear Output

Component 1 2 3 4 5 6 7 Total

Xi

Yi

0.0000

0.0000

Dew Point Calculation

Input Component Vapor Fractions (Yi) Number of compounds Component 1 2 3 4 5 6 7 Temp Initial Guess Run Program Output Dew Pt. Temp.

1 0.007

2 0.097

3 0.402

4 0.494

6 total Yi=

7 1.000

4 counts compounds alpha -1.6 -0.84 -0.52 -0.12 beta 0.03 0.014 0.007 0.002 gamma 0 0 0 0 delta 0 0 0 0 Epsilon

200
Run Dew Point Clear Output

Component 1 2 3 4 5 6 7 Total

Xi

Yi

0.000

0.000

Bubble Point Calculation Using Excel Goal Seeker Input Component 1 2 3 4 Temperature alpha -1.6 -0.84 -0.52 -0.12 250.00 beta 0.03 0.014 0.007 0.002 gamma 0 0 0 0 delta 0 0 0 0 Epsilon 0 0 0 0

Enter initial guess

Calculations Uses Goal Seek to change Temperature until Sum of the Y's equals 1.000 Component 1 2 3 4 Total Target Sum of Yi'S K 5.900 2.660 1.230 0.380 X 0.493 0.403 0.098 0.006 Y 2.909 1.072 0.121 0.002
Run BBLpt GS

4.104 equals 1.000 after successful calculation 1.000

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