McCabe Thiele

FUG Algorithm
Rex Gaumer Ph.D.
Joke of the Day
Base jumping is not a trial and error activity
McCabe Thiele Review from last time
Review
Requires VLE data
Applies to Binary distillation
Today
Rectification Operating Line
Stripping Section Operating Line
Steps for McCabe Thiele
Acquire T XY data for binary mixture.
Plot X, Y values for the more volatile component
of the mixture.
Do a mass balance on the system to specify the
separation of the stream into the bottoms stream
and the distillate stream.
Can you specify the recovery and purity of the
lighter component in the distillate?
Can you specify the recovery and purity of the
heavier component in the bottoms?
Steps for McCabe Thiele
Find the minimum Reflux ratio for the column.
Determine the operating line for the rectification
section.
Determine the stripping section operating line
either analytically or graphically.
Step off tray stages from top of column.
Switch over from the Rectifier line to the Stripper
line when the X value of the vertical line to the
next stage is less than the intersection of the two
lines.
T XY, XY Diagram Construction
LIQUID
PHASE VAPOR PHASE
T, K X, n C4 X, n C5
P, n C4,
mm Hg P, n C5, mm Hg
308.39 0 1 2344.96 760.00
302.98 0.1 0.9 2021.39 619.85
298.03 0.2 0.8 1753.55 511.61
T XY, XY Diagram Construction
VAPOR PHASE
T, K
P, n C4,
mm Hg
P, n C5, mm
Hg
TOT. P.,
mm Hg Y, n C4 Y, n C5
308.39 2344.96 760.00 760.00 0.0000 1.0000
302.98 2021.39 619.85 760.00 0.2660 0.7340
298.03 1753.55 511.61 760.00 0.4615 0.5385
LIQUID
PHASE VAPOR PHASE
T, K X, n C4 X, n C5
P, n C4,
mm Hg P, n C5, mm Hg
308.39 0 1 2344.96 760.00
302.98 0.1 0.9 2021.39 619.85
298.03 0.2 0.8 1753.55 511.61
Starting a Plot for Butane Propane
CPE 523, Lect. 16
Rectifying Section Operating Line


CPE 523, Lect. 16
The mole balance from the top of the column to the
top of stage m+1 for a binary distillation is:
D m m
Dx Lx Vy + =
+1
By writing just one V and one L, weve made the
assumption of Constant Molal Overflow. If we wanted
to plot this on our x vs. y plot, what would we need to
know?
V, L, D, and x
D.
Where do we get these?
The distillate concentration is something we can
choose, and those other flows are all related to the
reflux ratio L/D, that we set.
Stripping Section Operating Line


CPE 523, Lect. 16
Well need the same analysis for the stripping section of
the column. What does a mole balance from any stage
below the feed to the bottom look like?
B m m
Bx y V x L + =
+1
Remember two differences here: the vapor and liquid
flowrates (and their ratio) are not identical to those in the
rectifying section, and if we have a partial reboiler, then
that also counts as a stage (since we approach equil.
there).
Do we need to know the same parameters here?
Yes, at least equivalent ones: the bottoms composition x
B
,
and the boilup ratio
B
V
V
B
=
Operating Conditions
0.0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1.0
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
M
o
l
e

F
r
a
c
.

M
e
O
H

Mole Frac. MeOH
McCabe Thiele, MeOH IPA; Min Reflux Graph
X Y Curve
Total Reflux Op line
Dist. Comp.
Feed Comp
q line bubble pt.
q line, satd vapor
Min R Bubbl q line
Min R Satd Vap q line
Relation to Design Parameters


CPE 523, Lect. 16
In the discussion section, we also showed the
following relation:
The same rearrangement can be used to find D/V:
1 +
=
+
=
+
=
R
R
D
D
D
L
D
L
D L
L
V
L
1
1
+
=
+
=
R D L
D
V
D
So what does the equation for the line look like in
terms of the parameters we can set?
D
x
R
x
R
R
y
1
1
1 +
+
+
=
Stripping Section Op. line: parameters


CPE 523, Lect. 16
Just like for the rectifying section, we can write the
stripping section operating line in terms of the vapor
boilup and the desired bottoms composition:
Make sure you can derive this equation if you are
given material balances around the bottom of the
column. To plot this one, we can choose to set the
bottoms composition. Can we set the boilup ratio?
Not independently, since its linked to the other flows
in the column by an overall component mole balance
B
B B
B
x
V
x
V
V
y
1 1

+
=
Finding the Boilup Ratio


CPE 523, Lect. 16
If the feed is a saturated liquid, then we know by a feed
stage material balance that
Given those balances, and the definitions of R=L/V and
V
B
=V/B, one can derive that
V V F L L = + = and
D
B
R
V
B
1 +
=
We know that we can set R independently. Can we set B/D?
Not independently, since
B x D x F z
B D F
+ =
The stripping section line can also be plotted by connecting the bottoms
composition to the intersection of the feed line and the rectification operating
line.
Conclusions
CPE 523, Lect. 16
The McCabe-Thiele method allows us to visualize
the difficulty of a separation using distillation,. We
can graphically step off equilibrium stages to see
how many are required for the rectifying and
stripping sections of a column
The x vs y plot can be constructed by using only
information about the chemical system itself, and by
setting degrees of freedom for the column (purities
and reflux ratio)
References
CPE 523 Lecture notes by Dr. Kyle Camarda.
Wikipedia.


The FUG Algorithm
Specify the desired splits of the key
components.
Estimate the split of the non-key componets.
FUG Algorithm, (contd.)
Start loop section
Estimate column pressure drop. This
requirement will force iterations on the
process.
Estimate Column Ts using dew and bubble
points
Calculate minimum theoretical stages, Fenske
Calculate splits of non-key components, Fenske
Return to start of loop section if splits need to
be changed significantly.
End Loop Section


FUG Algorithm, (contd.)
Calculate the minimum reflux ratio, Underwood
Calculate actual theoretical stages for the specified
reflux ratio.
Use the Gilliliand correlation to determine the number
of theoretical stages required for the separation.
Calculate feed stage location using the Kirkbride
equation.
Estimate new pressures for the column and redo FUG
calculation.
Calculate condenser and reboiler duties
The FUG Algorithm
CPE 523, Lect. 21
This handy
flowchart shows
you the steps
required to
design a column
using the FUG
method
Remember
this is only used
to get a good
initial guess for
a rigorous
simulation!
Mass Balance
Decide the type of stream split that is required.
Is the priority product purity or product recovery?
This decision is usually made at a higher pay grade
due to the downstream use of the product.
If you need purity you will want to take the
product off as a distillate not bottoms to avoid
sludge which will accumulate in the bottoms.
Is the priority product recovery?
This is driven by the value of the product.
Down stream purification may be required to
remove contaminants while minimizing loss of the
valuable product.
Column T and P
Based on past experience or an educated guess
estimate a Pressure drop across the column.
Calculate a reboiler T based on the P at the bottom
of the column using a bubble point calculation.
Calculate a feed tray T based on an intermediate P at
the middle of the column.
Calculate a distillate T based on the minimum P using
a dew point calculation.
Key Components
CPE 523, Lect. 21
Rank the components by volatility.
In this example we want to recover 98% of the Hexane
in the distillate and 99 % of the Heptane in the bottoms.
I assumed a small distribution of the non-keys and we
will check this assumption on the first pass of this
example.

COMPONENT FRACT MOLES B.P., C
n C5 0.04 4 35.9
LK n C6 0.4 40 68.5
HK n C7 0.5 50 98.1
n C8 0.06 6 125.1
1 100
The FUG Algorithm
CPE 523, Lect. 21
This handy
flowchart shows
you the steps
required to
design a column
using the FUG
method
Remember
this is only used
to get a good
initial guess for
rigorous
simulation!
Distribution of the Components


CPE 523, Lect. 21
How do we estimate the distribution of each
component in the distillate and bottoms?
First of all, use the specifications needed (i.e. if
80% A should be recovered in the distillate, then
20% of it is in the bottoms). The specifications are
usually made on the keys, but not always
If
1 or 1
, ,
<< >>
LK i HK i
o o
then put 100% of that component in the
appropriate outlet flow
More Distribution


CPE 523, Lect. 21
What options do we have if a non-key has a BP close
to the BP of a key component (and thus might
distribute)?
Try to find literature data to suggest a reasonable split
fraction
Simulate a three-component system in a flash at
different pressures & temperatures, to see the
probable vapor and liquid distributions.
If all else fails, do some experiments
Remember, these are just estimates for the FUG
method, which gives estimates for rigorous simulation

Mass Balance
Perform an overall Mass Balance for the
distillation column. Set stream compositions
using required purity and recovery priorities.
Fenske and Underwood equations assume
optimum feed tray location. You want to
estimate the column temperature and
pressure profile.

The Fenske Equation
Given our assumptions about key components, we can
use the Fenske equation to find the number of stages
required at total reflux (N
min
)
At total reflux with equal heat duties, one can show that
CPE 523, Lect. 21
k i k i k k
x y L V
, 1 , 1
and = =

Note stages are numbered from the bottom
here. For the bottom stage
2 , 1 , 1 , 1 , 1 ,
and
i i i i i
x y x K y = =
2 , 2 , 2 , 1 , 1 , 2 ,
stage, 2nd For the . So
i i i i i i
x K y x K x = =
headed? re we' where See . means This
1 , 1 , 2 , 2 , i i i i
x K K y =
The Fenske Equation, cont.


CPE 523, Lect. 21
Now, make the big assumption that is similar on all trays,
and use an average value:
Solve for N
min
to give
( )
min
mean
1 ,
1 ,
1 ,
1 ,
N
N HK
HK
LK
N LK
x
x
x
x
o =
+
+
( ) o log
log
1 ,
1 ,
1 ,
1 ,
min
(

|
.
|

\
|
|
.
|

\
|
=
+
+
N HK
HK
LK
N LK
x
x
x
x
N
Fenske Calculation
Ln [(xdi/xbi) / (xdj/xbj)] / Ln (ALPHA lk hk) =
Nmin + 1
FENSKE TOP BTM
CALCULATION ALPHA lk
hk
ALPHA lk
hk
AVG
2.61 2.22 2.41
LN (AVG) 0.8788
Xdi 0.8970 Xdj 0.0114
Xbi 0.0142 Xbj 0.8792
xdi/xbi= 63.1281 xdj/xbj= 0.0130
Ln [(xdi/xbi) /
(xdj/xbj)]=
8.49
Nmin
plates
reqd
8.66
Underwood Equation for Rd min
theta = 1.48
CMPD
ALPHA
lk hk
Xfi (ALPHA i *
Xfi) /
(ALPHA i -
THETA)
ALPHA
lk hk
Xdi (ALPHA lk
hk * Xdi) /
(ALPHA lk
hk - theta)
n C5 7.74 0.04 0.05 8.16 0.09 0.11
LK n C6 2.46 0.40 1.01 2.61 0.90 2.07
HK n C7 1.00 0.50 -1.04 1.00 0.01 -0.02
n C8 0.41 0.06 -0.02
1.00 0.00 0.00 2.16 Rdm 1.16
Estimate Trays from Minimum Reflux
and Minimum trays
We will use the Gilliland Correlation
Gilliland Correlation
Gilliland Correlation
Determine the X value to read the graph for
the correlation.
We have Rd min. How do we determine Rd for
an operating column?
I have mentioned a multiplier in the range of
1.2 to 1.3 to adjust Rd min to estimate Rd.
This comes from a Peters and Timmerhaus
text on Plant Design.
f07_22
Gilliland Correlation
Rd min is 1.16. We will use an Rd of 1.39 in
the Gilliland Correlation.
When we read the Gilliland Correlation this
gives a Y value of 0.53 which corresponds to
20 theoretical trays required for this column.
Gilliland Correlation
Results
from
graph
=(Rd-Rdmin)
/ (Rd+1)
(N-Nmin)
/ (N+1)
(N-Nmin) /
(N+1)
N N
1.1 x 1.10 0.05 0.60 0.60 23.1 24
1.2 x 1.20 0.10 0.53 0.53 19.5 20
1.3 x 1.30 0.14 0.50 0.50 18.3 19
1.5 x 1.50 0.21 0.45 0.45 16.6 17
2.0 x 2.00 0.35 0.36 0.36 14.1 15
12.0
14.0
16.0
18.0
20.0
22.0
24.0
1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00
T
o
t
a
l

T
r
a
y
s

i
n

C
o
l
u
m
n

Rd/Rd min
Trays Required for Separation from
Gilliland correlation
Trays
Effect of Reflux Ratio on Trays in the
Column
f07_33a
f07_33a
f07_33c
Next Step in FUG
Estimate feed location. Kirkbride developed an
equation that estimates the feed tray location.
It has dissappeared from a lot of text books. I
found a version of this equation in the lecture
notes of Dr. Randel Price from Christian
Brothers University.
The goal is to match the composition of the
liquid portion of the feed with the liquid
composition of the feed tray in the column.
Kirkbride Equation
Nr/Ns = [(XFhk/XFlk)*(XBlk/XDhk)]^2*(B/D)^0.206

Nr = number rectification stages
Ns = number of stripper stages
XFhk = fraction heavy key in the feed
XFlk = fraction light key in the feed
XBlk = fraction light key in the bottoms
XBhk = fraction heavy key in the bottoms
Kirkbride Results
(XFhk/XFlk) 1.25 [(XFhk/XFlk) *
(XBlk/XDhk)^2
*B/D)]^0.206
=



0.2000
(XBlk/XDhk) 0.02 Nr + Ns = 20
B/D 1.29
Nr/Ns 0.20
(XBlk/XDhk)^2 =
0.000251
Nr = 3.34
[(XFhk/XFlk) *
(XBlk/XDhk)^2*B/D] = 0.000404

Ns = 16.66
Pressure Drop in Column
There has to be a pressure drop for the vapor
to rise up through the column. A typical
pressure drop is 0.1 psig/tray
This means we will need to adjust our tray
pressures and make another pass through
FUG.
Top pressure will remain 760 mm Hg. Feed
pressure will increases to 790 mm Hg. Bottom
pressure will increase to 936 mm Hg.
Non-Key Splits
CPE 523, Lect. 22
Writing a simple mole balance on a non-key gives
Now, if we rearrange the previous equation and include
this, we get
i i i
b d f + =
( )
( )
( )

1
and
1
min
min
min
mean ,
mean ,
mean ,
N
HK i
HK
HK
N
HK i
HK
HK
i
i
N
HK i
HK
HK
i
i
b
d
b
d
f
d
b
d
f
b

|
.
|

\
|
+
|
.
|

\
|
=
|
.
|

\
|
+
=
o
o
o
What if we use both of these
equations to compute the
distribution of a non-key?
The errors will cause the mole
balance not to close. Instead,
use the smaller one, and
compute the other via the mole
balance above
n C5 btm = 6.4 e-08
n C8 dist = 4.0 e-09
The Overall Plan
CPE 523, Lect. 22
Just a reminder of the overall
calculation procedure
Currently, we have estimates of
each of the critical values required to
perform a rigorous simulation. Except
for the pressure drops in the column.
On this first pass we assumed Btm P
of 780 mmHg. With 33 trays the Btm
P will be increasesd to 936 mm Hg.
The number of trays in the rectifyer
increases the feed pressure to 790
mm Hg.
Then we repeat our FUG calculations
and check our results.
FUG Results with new Pressure
estimate
Pass 1 Pass 2
Plates min 8.66 8.82
Reflux min 1.16 1.22
Plates theo 20 20
Plates real 33 33
Rectifier 5.5 6
Stripper 27.5 28
Heat Duty
Now the T, Pressure and plate estimates are
stable. We have the information to calculate the
cooling duty on the condenser and the heating
duty on the reboiler.
However, we will not do these duty calculations
in this example.
The column parameter we have calculated can be
used to perform a rigorous calculation.
References

McCabe, Smith, Harriott, Unit Operations of Chemical Enginering, 7
th

Ed. McGraw-Hill Book Company, New York, 2005.

Dr. Kyle Camarda





CPE 626, Lect. 3