CHAPTER 2.
INPUT-OUTPUT AND
RECYCLE STRUCTURE
LEVEL I Decision: Batch vs. Continuous
Favor batch operation, if
1. Production rate
a ) less than 5000 ton/year (sometimes)
b ) less than 500 ton/year (usually)
c ) multi-product plants
2. Market force
a ) seasonal production
b) short production lifetime
3. Scale-up problems
a ) very long reaction times
b ) handling slurries at low flow rates
c ) rapidly fouling materials.
LEVEL I Decision: Batch vs. Continuous
• Flexibility
– Batch can handle many different feeds and
products – more flexible
– Continuous is better for smaller product
slate and fewer feeds
LEVEL I Decision: Batch vs. Continuous
• Other Issues
– Accountability and quality control – FDA
requires batch accountability
– Seasonal demands – e.g., antifreeze, food
products
Input – Output Structure
(Process Concept Diagram)
Toluene Benzene
Toluene + H2 Benzene + CH4 CH4
H2 2 Benzene Diphenyl + H2
Diphenyl ?
Hydrodealkylation of toluene to produce benzene -
The HDA Process
HDA Process configuration – Alternative 1
H2 Recycle By-product
CH4
H2 Benzene
Toluene Dipheny1
Toluene Recycle
Input-Output Structure of the HDA
Process – Alternative 1
Toluene + Diphenyl
Recycle
HDA Process configuration – Alternative 2
HDA Process configuration – Alternative 2
H2 Recycle By-product
CH4
H2
Benzene
Toluene
Toluene + Diphenyl
Recycle
Input-Output Structure of the HDA
Process – Alternative 2
HDA Process configuration – Alternative 3
Recycle Purge
H2 + CH4
H2 + CH4
Benzene
Toluene
Toluene + Diphenyl
Recycle
Input-Output Structure of the HDA
Process – Alternative 3
Toluene
Recycle
Diphenyl
HDA Process configuration – Alternative 4
Recycle Purge
H2 + CH4
H2 + CH4 Benzene
Toluene Diphenyl
Toluene Recycle
Input-Output Structure of the HDA
Process – Alternative 4
Note: by-products of an unwanted
reaction can be recycled back to the
reactor only if that undesirable reaction
is reversible
What Information Can Be Determined Using the Input/Output
Diagram for a Process?
• Basic economic analysis on profit margin
• What chemical components must enter with the feed and leave
as products
• All the reactions, both desired and undesired, that take place
=> The potential profitability of a proposed process can be
evaluated and a decision whether to pursue the process can be
made.
Disproportionation or transalkylation of toluene to produce
benzene and a mixture of para-, ortho-, and meta-xylene:
Generic Block Flow Process Diagram
Purge
Generic Block Flow Process Diagram
(Process Requiring Multiple Reactors)
Purge
Heuristics:
Recover more than 99% of all valuable materials
(products + unconverted reactants). Assume:
Completely recover and recycle all
valuable reactants
EXCEPTIONS:
(1): Not recover unconverted reactants:
Feed streams Process Products
By-products
Reasons: inexpensive reactants, e.g. Air, Water
(2): Incomplete recovery of reactants, loss of
unconverted reactants in the purge stream
Purge
Products
Feed streams Process
By-Products
Reasons: It is expensive to completely separate reactants
from by-products (usually the case with gaseous components)
The HDA process
Toluene + H2 Benzene + CH4
2 Benzene Diphenyl + H2
1150 F ～ 1300 F
500 psia
LEVEL 2 DECISIONS:
1 ) Should we purify the feed streams before they enter the process?
2 ) Should we remove or recycle a reversible by-product?
3 ) Should we completely recover unconverted reactants or use a
purge stream instead?
Purify Feed ?
• Feed purity and trace components
– Small quantities and “inerts” – do not separate
Example H2 in feed contains CH4
CH4 does not react
so – do not remove
• If separation of impurities is difficult – Do
not separate
– Azeotrope – (water and ethanol)
– Gases – (requires high P and low T)
How would you remove CH4 from H2?
• If impurities foul or poison catalyst then separate
– Sulfur – Group VIII Metals (Pt, Pd, Ru, Rh)
– CO in platinum PEM fuel cells
Note: S and CO may be present in very small
amounts (ppm)
• If impurity reacts to form difficult-to-separate material
or hazardous product then separate
Phosgene Example
CO + Cl2 COCl2
(phosgene + amine isocyanates polyurethanes
Produce CO by steam reforming of natural gas:
CH4 + H2O CO + 3H2
If H2 is not removed from CO, then
H2 + Cl2 2HCl
HCl is difficult to remove from the phosgene, is highly
corrosive, and is detrimental to the isocyanate product
=> separate H2 from CO
• Impurity in large quantities then purify –
why?
A notable exception is air
Alternatives for the HDA Process
1. Purify the H2 feed stream ?
2. Recycle diphenyl ?
3. Separate H2 from CH4 or use a purge stream
instead?
Separate H2 from CH4
Use purge stream
REACTOR PERFORMANCE
Conversion (x)
= (reactant consumed in the reactor)/(reactant
fed to the reactor)
Selectivity (S)
=[(desired product produced)/(reactant
consumed in the reactor)]*SF
Reactor Yield (Y)
=[(desired product produced)/(reactant fed to
the reactor)]*SF
STOICHIOMETRIC FACTOR
(SF)
The stoichiometric moles of reactant
required per mole of product
Material Balance of Limiting Reactant in Reactor
Toluene
unconverted recycle
(1-x) mole
Toluene Benzene
feed produced
(1 mole) Sx mole
Toluene
converted
x mole
Diphenyl
produced
(1-S)x / 2
Gas recycle Purge
H2 , CH4
Toluene 1 x
Benzene Sx
1
Diphenyl (1 S) x Benzene
H2 , CH4 Reactor 2
Separation Sx
Toluene system system
Dipheny1
x 1
(1 S ) x
2
1 x
Toluene recycle
Material Balance of the Limiting
Reactant (Toluene)
Assumption: completely recover and recycle the limiting reactant.
OVERALL MATERIAL BALANCE
CALCULATIONS
Refer to section “7.5.3 OVERALL MATERIAL BALANCE” in
textbook Integrated Design and Simulation of Chemical
Processes, CACE Volume 35, Second Edition