DEPARTMENT OF CHEMICAL ENGINEERING

INDIAN INSTITUTE OF TECHNOLOGY, KANPUR

CHE-452 : ASPEN TERM PROJECT

Simulation of Hydrodealkylation (HDA) of

Toluene Process

Instructor Incharge

Dr. Raj Ganesh Pala

Manglam Tewari Y8275

Abhishek Y8013
Introduction
Hydrodealkylation of Toluene process involves the conversion of toluene to the more valuable
benzene product, with methane and diphenyl as the byproducts. A production rate of 265
lbmol/hr of benzene at 99.99% purity was assumed.

The two non-catalytic vapor-phase reactions are:

Reaction 1: Toluene + Hydrogen Benzene + Methane

Reaction 2: Benzene Diphenyl + Hydrogen

For the HDA process, the basic input-output structure with recycle streams can be developed
as

Subsequent to the input-output structure, Douglas [1] continued with the stages in the design
procedure in and arrived at the flowsheet shown below. This flowsheet was re-simulated and
evaluated in this project.
Work Done in Aspen

Process Flow Sheet

1. Stabilizer Column:
Basic function of this column is to separate methane and hydrogen from aromatics. As
there is large difference in boiling point between methane and benzene so this is an easy
separation. Since our distillate is gas so we will use full reflux and partial vapor condenser. Since
our product column is after stabilizer column so we would try not to lose our product benzene
in stabilizer column i.e. column should be operated at relatively high pressure.

Input Data
Heavy Key Component Benzene - 0.0001
Light Key Component Methane - 0.9999
Top Stage Pressure (psi) 150
Bottom stage pressure 160 (psi)
Reflux Ratio 1.75*Rmin
Analysis of Output
Here we can see that separation is very easy so reflux ratio is low. Other thing in this we
can see that condenser temperature is 11oF. This is because we recovering almost all benzene
in bottom.

2. Product Column (Benzene Column):

This column is supposed to separate benzene and toluene. Benzene being lighter has
lower boiling point than toluene. In this case our distillate is liquid so full condenser is needed.
High purity of benzene is desired so the column should be operated at little high pressure. As
pressure is increased boiling point increases and separation becomes better often but
simultaneously reboiler and condenser duty increases. In this case product column is being
operated at 130 psi.

Input Data
Heavy Key Component Toluene 0.004
Light Key Component Methane 0.999
Top Stage Pressure 120 (psi)
Bottom stage pressure 140 (psi)
Reflux Ratio 1.75*Rmin
Analysis of Output
This is our product column so quality control is quite desirable. Here we can see actual
no. of stages is 32.98 so we will use distillation column with 33 stages and location of feed tray
would be 13 (Above Stage). Since the separation of benzene and toluene is not that easy as in
first column, so reasonable good amount of reflux ratio is needed. In the current case reflux
ratio 3.87 is used.

3. Recycle Column:
Bottom of product column essentially contains toluene with little quantity of biphenyl.
Removal of biphenyl is necessary otherwise it will accumulate in the process so this column
separates biphenyl and recycles back toluene. There is sufficient difference in boiling point
temperature of toluene and biphenyl, one is C7 compound and other is C12 compound so the
separation is a very easy separation. So, the column should be operated at reasonably low
pressure. In current scenario this column is being operated at 110 psi.

Input Data
Heavy Key Component Diphenyl : 0.00005
Light Key Component Toluene : 0.999
Top Stage Pressure 110 (psi)
Bottom stage pressure 120 (psi)
Reflux Ratio 1.75*Rmin
Analysis of Output
Three is large difference in boiling point of toluene and diphenyl, one is C6 aromatic and
other is C12 aromatic. So this is a quite easy separation and low value of reflux ratio 0.2123
would be able to remove all the diphenyl .

Sensitivity Analysis
1. Column 1 (Stabilizer Column)
To judge the purity of distillate we will observe the mole fraction of benzene vs. reflux
ratio and mole fraction of methane vs. reflux ratio.
Analysis
Here in above plots we can see that benzene is major impurity in distillate so we will try to
minimize the mole faction of benzene in distillate while maximize the mole fraction of
methane. In last
two plot it can be seen that optimum value of D:F is around 0.04 and first plot tells the
optimum reflux
ratio around 0.14.

2. Column 2 (Product Column)

In this column split is taking place between benzene and toluene so we will judge the mole
fraction of benzene and toluene with respect to reflux ratio and D:F
Analysis
Here we can see from first two plot that to maintain .9997 purity of benzene reflux ratio should
be around 4.7. In second two plots it is clear that optimum D:F is around 0.6.

3. Column 3 (Recycle Column)

In this column split is being done between toluene and biphenyl. Our distillate should
contain mostly toluene and no biphenyl so we judge the mole fraction of toluene and biphenyl
in distillate.
Analysis
In this case mole fraction of toluene would be deciding factor. Hence by above plots optimum
reflux ratio is around 2.7 and D:F around 0.98.

REFERENCES
Douglas, J.M., Conceptual Design of Chemical Processes, New York: McGraw-Hill (1988).
Lim Kuan Howe1, Dennis1, N.V.S.N. Murthy Konda1 and G.P Rangaiah1 , Synthesis and
Design of Chemical Processes, Journal of the Institution of Engineers (2005)
ASPEN PLUS 12.1 Instructional Tutorials, Matthew Bernards and Ren Overney, 2004.