Qualitative Behavior of VaporLiquid Equilibria and Simple

Calculations using
ASPENPLUS V8.x
ECH 152B Discussion
January 12, 2015

Two Species

Typical Examples: Salt in Water, heptane and octane (gasoline),

ethanol in water (wine, beer etc)

Phase Rule with two species

F 2 NC 4
1

at least one phase

In the typical pure liquid phase we have three degrees of freedom

e.g. T (Temperature), p (pressure), x1 (concentration),
with one phase boundary (vapor liquid) we have two degrees of freedom

One Phase Boundary

An iceberg is a typical 2 phase
2 component system, if it is not in
a fresh water lake.
Salt & Water

Pressure composition diagrams

Liquid
Vapor

Liquid
Vapor

more volatile = easier to vaporize,

fixed T, so one more degree of Freedom

Moving through VLE P-X

Temperature - Composition
Dew Line
(saturated vapor)

Pressure fixed

Benzene-toluene

Bubble Line
(saturated liquid)

Influence of Pressure on T-x-y

Dew Line
(saturated vapor)

Increasing Pressure

Critical Points

Bubble Line
(saturated liquid)
0

Azeotropes (only non-ideal)

Dew Line
(saturated vapor)

azeotrope

Bubble Line
(saturated liquid)
0

Using Aspen Plus V 8.X to

calculate T-xy and p-xy
diagrams
Open AspenTech>ProcessModeling8.x>AspenPlus->AspenPlus
V8.X
I am using 8.0 in the
examples here.

Using Aspen Plus to calculate

T-xy and p-xy diagrams

Close Start Page

Using Aspen Plus 8 to

calculate T-xy and p-xy
diagrams
File->New
Blank Simulation
Create

Then it should look like this

Start with setting the units

Home -> Setup -> Global
Standard: Bar and Celsius (METCBAR)
You may want to switch to SI

Using Aspen 8 to calculate T-xy

and p-xy diagrams
On Home Screen Go to
Components->Specifications
Add your component (best to search by name or
formula under component name)
Make sure your Component ID is not empty,
best you copy the name there

Using Aspen 8 to calculate

T-xy and p-xy diagrams
Close Component Specifications Window
Go to Methods -> Specification
Choose your Base Method (e.g. Ideal for
Raoults law)

Using Aspen 8 to calculate

T-xy and p-xy diagrams
Close Specifications Window
Go to Binary (top line in Analysis block)
(If you cannot select it you missed
something earlier, e.g. interaction
parameters)

Using Aspen Plus to calculate

T-xy and p-xy diagrams
For Valid Phases
Select Vapor-Liquid
Select Analysis
Type (Txy or Pxy)
Enter Conditions
(P or T, beware of
units upi selected
earlier)
Run Analysis

T-xy diagram (at ambient p) for

Benzene Toluene (Ideal)

More Info
Instead of one condition you can add a
range and increments
The program also gives you a table from
which you can copy the data

Examples to try
Benzene/Toluene (0.1 MPa or 300 K)
Benzene Toluene (Range 3-5 MPa or 500
700 K)
Methanol/Methyl Acetate (Ideal or NRTL at
300 K)
Ethanol/Water (Ideal or NRTL at 101.3
kPa)