BITS Pilani

Pilani Campus

Lecture
Level-1 Decisions: Input Information and
Batch vs. Continuous Processes
CHE F314 Process Design Principles I

Outline

Ch. 4 of T2
• Introduction

• Input information
– Reaction information
– Maximum yield
– Selectivity
– Optimal conversion

• Level-1 Decisions: Batch vs Continuous

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CHE F314 Process Design Principles I

Why are more input information

required in design problem?
• Design problems are under-defined and open
ended.
• Input information required are:
1. Reactions and reaction conditions
2. Desired production rate
3. Desired product purity, or some information on price vs.
purity
4. Raw materials and/or some information about price vs.
purity
5. Information on rate of reaction and rate of catalyst
deactivation
………many more

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CHE F314 Process Design Principles I

Reaction Information

• Stoichiometry of all reactions that take place

• Range of temperatures and pressures for
reaction
• Phase(s) of reaction system
• Some information on product distribution vs.
conversion
I. And possibly reactor temperature
II. molar ratio of reactants
III. and/or pressure
• ………many more
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CHE F314 Process Design Principles I

Side Reactions

• By-product produced in a laboratory experiment

– may build up to very large levels in a recycle loop
– Hence, all the by-products produced must be known in
order to synthesize a separation system

• It almost always leads to paying large economic

penalties

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CHE F314 Process Design Principles I

Maximum Yield

• Information concerning how the product distribution

changes with the following is often difficult to obtain
– conversion
– reactor temperature
– molar ratio of reactants
• Numerous processes have been designed to
operate at the condition of maximum yield
• But, this operation often does not correspond to
the optimum economic conversion

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CHE F314 Process Design Principles I

Contd..

• Consider a simple hypothetical reaction system

A→B→C
– Where, B is desired product
– and C has only fuel value (undesired)

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CHE F314 Process Design Principles I

Maximum Yield vs Optimum

Conversion

Fig.: Batch Composition Profile

Douglas, J. M. Conceptual Design of Chemical Processes, 1988, pp. 101
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CHE F314 Process Design Principles I

Selectivity

• Selectivity can be defined in many ways

• Most widely used definition for selectivity is:
– Moles of desired product (B) / Moles of undesired
product (C)
• We define selectivity, S, as the fraction of reactant
converted that ends up as desired product

S = Moles of B produced / Moles of A converted

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CHE F314 Process Design Principles I

Contd..

• This is the definition used in conceptual design

• Conversion of A to C is referred as ‘Selectivity
loss’

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CHE F314 Process Design Principles I

HDA Process: Selectivity for

Reactor Douglas, J. M. Conceptual Design of Chemical Processes, 1988, pp. 102

• A diagrammatic sketch of our definition of

selectivity for HDA Process is:
Toluene + H2 → Benzene + CH4
2 Benzene → Diphenyl + H2
1 mole of Toluene gives → 1 mole of Benzene
→ ½ mole of Diphenyl
• Selectivity of Reactor: If conversion = x mol

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CHE F314 Process Design Principles I

Contd..

Toluene + H2 → Benzene + CH4

2 Benzene → Diphenyl + H2
1 mole of Toluene gives → 1 mole of Benzene
→ ½ mole of Diphenyl
1 1 B produced 
(1  S ) x  1  ( A converted)
2 2  A converted 
1  A converted  B produced 
  ( A converted)
2 A converted 
  A converted  B produced
1
2
 C produced
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CHE F314 Process Design Principles I

HDA Process: Selectivity for

Plant

Fig.: Selectivity of HDA Plant

Douglas, J. M. Conceptual Design of Chemical Processes, 1988, pp. 102

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CHE F314 Process Design Principles I

Optimum Conversion

• Normally, raw material costs & selectivity losses

are dominant factors in design
– Raw material costs usually 35-85% of total product cost

High conversion(xhigh)
• Sx is more (Benzene)
• ½ (1-S)x is also more (Diphenyl), i.e.,
selectivity loss is more
• Recycle cost is less

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CHE F314 Process Design Principles I

Contd..

Low conversion(xlow):
• Sx is less (Benzene)
• ½ (1-S)x is also less (Diphenyl),
i.e., selectivity loss is less
• Recycle cost is more

• Hence, there is an economic trade-off for

Optimal conversion (xopt)

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Contd..

• Optimum conversion (xopt)

– Fixed by economic trade-off between

Large selectivity losses at high conversions

Vs
Large recycle costs at low conversions
• The optimum economic conversion (corresponding to
maximum profit)
– is less than the conversion corresponding to maximum
yield

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CHE F314 Process Design Principles I

Numerical Problem on
Selectivity vs Conversion
• The 1967 AIChE student contest problem gives
data showing how the selectivity (S = moles of
benzene at reactor exit per mole of toluene
converted) depends on the reactor conversion.

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Contd..

1. Plot the data on arithmetic paper, and

2. Make a log-log plot of (1-S) vs (1-x)
3. Develop correlation for both sets of data
4. Why is it better to correlate (1-S) vs (1-x)?
5. Also use the correlation 0.0036
S  1 ; ( x  0.97 )
(1  x)
1.544

to calculate the yield of Benzene (Y = mol Benzene at

reactor exit/mole of toluene fed to reactor = Sx) as a
function of conversion.
6. Estimate the conversion corresponding to the
maximum yield.

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CHE F314 Process Design Principles I

Solution

• 1 - s vs 1 – x

• log (1 – s) vs log (1 – x)

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CHE F314 Process Design Principles I

S vs x in Arithmetic Graph

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CHE F314 Process Design Principles I

1-S vs 1-x on Arithmetic Graph

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CHE F314 Process Design Principles I

S vs x on Logarithmic Graph

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CHE F314 Process Design Principles I

1-S vs 1-x on Logarithmic

Graph

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CHE F314 Process Design Principles I

Analysis of Graphs

• Graphs:
1. S vs x Nonlinear
2. (1-S) vs (1-x) Nonlinear
3. log S vs log x Nonlinear and Small Range
(Not accurate)
4. log(1-S) vs log(1-x) Linear and Wider Range
(Accurate)

Selectivity should be correlated with conversion as (1-S)

vs (1-x) rather than S vs x, when the range covered is less
(in this problem S ranges from 0.93 to 0.99 only for x
range of 0.5 to 0.85)
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Contd..

• It widens the range and hence more accurate

• Also when plotted as log-log graph, it becomes
linear

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CHE F314 Process Design Principles I

Contd..

For the 3rd Graph (log S vs log x): (i.e., S vs x on

log-log plot):
• Slope = -0.10274 and Intercept = -0.0311
• For y = m xn ; log y = log m + n log x
• So log m = -0.0311; m = 0.9694 and n = -0.10274
• So the final relation is 0.10274
S  0.9694x
0.0036
• But , the given correlation is S  1  ; ( x  0.97 )
(1  x)1.544

• It indicates that the proposed

• Correlation is not good

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CHE F314 Process Design Principles I

Contd..

For the 4th Graph log (1-S) vs log (1-x): (i.e., 1-S
vs 1-x on log-log plot):
• Slope = -1.59602 and Intercept = -2.47319
• For y = m xn ; log y = log m + n logx
• So, log m = -2.47319; m = 3.3636 x10-3 and n = -1.59602
• So the final relation is (1  S )  3.3636 10 3 (1  x) 1.59602
0.0033636
 S  1
(1  x)1.59602

• Which is almost very close to the 0.0036

S  1 ; ( x  0.97 )
given correlation (1  x)1.544

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CHE F314 Process Design Principles I

Level-1 Decision: Batch vs

Continuous

The distinction between batch and continuous

processes is sometimes somewhat fuzzy

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CHE F314 Process Design Principles I

Contd..

• Guidelines for selection of Batch

Processes:
1. Production rates
2. Market forces
3. Operational problems

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Production Rate

• Plant capacity > 10x106 lb/yr

– Continuous
• Plant capacity < 1x106 lb/yr
– Batch

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Market Forces

• Many products are seasonal

– ex: Fertilizer is sold for only a month in the early spring

• Market forces depend on

1. Seasonal production
2. Short product life

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Operational Problem

• Some reactions are very slow: use batch process

only
• Also, it is very difficult to pump slurries at low flow
rates
– Without the solid settling out of the suspension and
plugging the equipment
• Thus, it is very difficult to build continuous
processes
– when a low capacity of slurries must be handled
• Similarly, some materials foul equipment rapidly

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Contd..

• Batch operation turns out to be ideal

– For handling such materials (slurries & fouling
materials)
– Because the equipment is periodically started and
stopped
– And normally it is cleaned after each batch has been
processed

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Contd..

• Batch processes are preferred for

– Low production rates
– Multiple products production
– Seasonal products
– Short product life
– Very long reaction times
– Handling slurries at low flow rates
– Rapidly fouling materials

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Factors to consider

• Size
• Batch accountability / product quality
• Operational flexibility
• Standardized equipment – multiple products
• Processing efficiency
• Maintenance and operating labor
• Feedstock availability
• Product demand
• Rate of reaction to produce products
• Equipment fouling
• Safety
• Controllability

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CHE F314 Process Design Principles I

Thank You

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