Chapter 5 - Report

In chapter 5, we used the knowledge of Chemical Engineering

Thermodynamics to estimate the vapor liquid equilibrium (VLE) conditions from the
second distillation column in our process flow diagram. In our project, our operating
temperature is 363K and operating pressure is 59.5 kPa.

By assuming we are dealing with ideal gas and ideal solution, we created an
Excel sheet for user to input data for vapor and liquid composition ({Xi} and {Yi}),
total component mole fraction {Zi} and pressure (PT). In this case, we have 5 species
where i = 1, 2, 3, 4, 5 while we have 6 species in liquid composition where i = 1, 2, 3,
4, 5, 6. In part (a) and (b) of this chapter, user will need to key in value of (Xi = 0 to
1.0) and (Yi = 0 to 1.0) respectively to predict {Yi} and {Xi} together with the system
pressure (PT) respectively. In part (c), the user will have to enter total component
mole fraction {Zi} and pressure (PT) the mole fraction of vapor over liquid, to the
predict the mole fraction of vapor over liquid, vapor composition {Yi} and liquid
composition {Xi}. In the result, PT must be in the range between P dew and P bulb to
ensure the validity of the 2-phase flash calculation. A warning message of “single
phase” will be displayed if it does not meet the earlier criteria.

The calculation and the manual of part (a), (b) and (c) are shown below.

The Antoine Equation formula to calculate Psat for each species.

1. Firstly, we must determine the number and type of species in our vapour and
liquid composition. There are five species in the vapour composition which
are the
i. Toluene
ii. Benzene
iii. M-xylene
iv. O-xylene
v. P-xylene

There are six species in the liquid composition which are the

i. Toluene
ii. Benzene
iii. M-xylene
iv. O-xylene
v. P-xylene
vi. Ethylbenzene

2. Next, we create Part (a) and (b) userform. The formula used to calculate is as
below:

FOR PART (A)

FOR PART (B)

User will need to key in value of (Xi = 0 to 1.0) and (Yi = 0 to 1.0) together
respectively to predict {Yi} and {Xi} together with the system pressure (PT)
respectively.

3. Next, we create Part (C) userform. The user will have to enter total component
mole fraction {Zi} and pressure (PT) the mole fraction of vapor over liquid, to
the predict the mole fraction of vapor over liquid, vapor composition {Yi} and
liquid composition {Xi}. In the result, PT must be in the range between P dew
and P bulb to ensure the validity of the 2-phase flash calculation. A warning
message of “single phase” will be displayed if it does not meet the earlier
criteria. The formula used to calculate is as below:

For calculating P dew (where Zi = Yi)

For calculating P bulb (where Zi = Xi)

For calculating Ki
By using iteration method, calculate V.

Calculate Yi

Calculate Xi from Ki and Yi.