Process Flowsheeting

P. Balasubramanian

Department of Chemical Engineering
Universiti Teknologi PETRONAS
Malaysia

Introduction
The flowsheet is a key document in process
design
It shows the arrangement of the equipment
selected to carry out the process; the stream
connections; stream flow-rates and
compositions; and the operating conditions.
The flowsheet is a diagrammatic model of the
process
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Introduction
The flow-sheet will be used by the specialist
design groups as the basis for their designs
This will include piping, instrumentation,
equipment design and plant layout
It will also be used by operating personnel for the
preparation of operating manuals and operator
training
During plant start-up and subsequent operation,
the flow-sheet forms a basis for comparison of
operating performance with design

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Introduction
The flow-sheet is drawn up from material
balances made over the complete process and
each individual unit
Energy balances are also made to determine the
energy flows and the service requirements
Manual flow-sheeting calculations can be tedious
and time consuming when the process is large or
complex
Computer-aided flow-sheeting programs are
being increasingly used to facilitate this stage of
process design
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Flowsheet presentation
The process flowsheet is the definitive
document on the chemical process
The presentation in the process flowsheet
must be clear, comprehensive, accurate and
complete
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Types of flowsheet
Block diagrams
Pictorial representation
Presentation of stream flow-rates
Layout
Precision of data
Basis of the calculation
Batch processes
Services
Equipment identification
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Block diagrams
It is the simplest form of presentation
Each block can represent a single piece of
equipment or a complete stage in the process
Only a limited use as engineering documents
The blocks can be of any shape
use a mixture of squares and circles, drawn with a
template
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process
feed product
Fig.1 Block diagram for a chemical plant.
Pictorial representation
On the detailed flow-sheets used for design
and operation, the equipment is normally
drawn in a stylized pictorial form
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Fig. 2. Example for pictorial representation.
Presentation of stream flow-rates
The data on the flow-rate of each individual
component, on the total stream flow-rate, and
the percentage composition can be shown in a
tabular form
Each stream line is numbered and the data
tabulated at the bottom of the sheet
Alterations and additions can be easily made
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Information to be included
Essential information
Stream composition, either:
flow-rate of each individual component in kg/h
stream composition as a weight fraction
Total stream flow-rate in kg/h
Stream temperature in degrees Celsius
Nominal operating pressure
Optional information
Molar percentages composition
Physical property data, mean values for the stream, such
as:
density, kg/m
3
viscosity, mN s/m
2
Stream name, example ACETONE COLUMN BOTTOMS.
Stream enthalpy in kJ/h
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Layout
The sequence of the main equipment items
shown symbolically on the flow-sheet follows
that of the proposed plant layout
Equipment should be drawn approximately to
scale
The table of stream flows and other data can
be placed above or below the equipment
layout and the normal practice is to place it
below

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Precision of data
The total stream and individual component
flows do not normally need to be shown to a
high precision on the process flow-sheet
At most one decimal place is sufficient
Imprecise small flows are best shown as trace
(in parts per million)
A trace quantity should not be shown as zero
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Fig. 3 Flow sheet-polymer production
Source: Coulson & Richardsons CHEMICAL ENGINEERING
Vol. 6, Fourth ed., Chemical Engineering Design
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Fig. 4 Flow sheet-simplified nitric acid process
Source: Coulson & Richardsons CHEMICAL ENGINEERING , Vol. 6, Fourth ed., Chemical Engineering Design
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Fig. 5 A typical Flow sheet
Source: Coulson & Richardsons CHEMICAL ENGINEERING , Vol. 6, Fourth ed., Chemical Engineering Design
Basis of the calculation
Show the basis used for the flow-sheet
calculations
Operating hours per year
Reaction and physical yields, and
Datum temperature used for energy balances
list of the principal assumptions used in the
calculations (to know about any limitations).
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Batch processes
Flow-sheets drawn up for batch processes
normally show the quantities required to produce
one batch
If a batch process forms part of an otherwise
continuous process, it can be shown on the same
flow-sheet, providing a clear break is made when
tabulating the data between the continuous and
batch sections; the change from kg/h to
kg/batch.
A continuous process may include batch make-up
of minor reagents, such as the catalyst for a
polymerization process.
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Services and Equipment identification
The service connections required on each piece of
equipment should be shown and labeled
The service (utility) requirements for each piece of
equipment can be tabulated on the flow-sheet
Each piece of equipment shown on the flow-sheet must be
identified with a code number and name
The identification number (usually a letter and some digits)
will normally be that assigned to a particular piece of
equipment as part of the general project control
procedures, and will be used to identify it in all the project
documents
The easiest code is to use an initial letter to identify the
type of equipment followed by digits to identify the
particular piece
For example, H-heat exchangers, C-columns, R-reactors
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Manual flowsheet calculations
The stream flows and compositions are
calculated from material balances; combined
with the design equations that arise from the
process and equipment design constraints
Two kinds of design constraints
External constraints
Internal constraints
External constraints
not directly under the control of the designer, and
which cannot normally be relaxed Examples
Product specifications, possibly set by customer
requirements
Major safety considerations, such as flammability limits
Effluent specifications, set by government agencies
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Manual flowsheet calculations
Internal constraints
determined by the nature of the process and the
equipment functions
The process stoichiometry, reactor conversions and yields
Chemical equilibria
Physical equilibria, involved in liquid-liquid and
gas/vapour-liquid separations
Azeotropes and other fixed compositions
Energy-balance constraints where the energy and
material balance interact, as for example in flash
distillation
Any general limitations on equipment design
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Computer aided flowsheeting
Full simulation programs, which require
powerful computing facilities
capable of carrying out rigorous simultaneous
heat and material balances, and preliminary
equipment design: producing accurate and
detailed flow-sheets
Simple material balance programs requiring
only a relatively small core size
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Simulation packages
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acronym type source
ASPEN Steady state Aspen Tech
Aspen DPS
DESIGN II Steady state WinSim
HYSYS Steady state
dynamic
Hyprotech
PRO II Steady state SimSci-Esscor
DYNSIM dynamic
CHEMCAD Steady state Chemstations
Table 1. Commercial packages for process flowsheet simulation.
Process simulation program
Sequential-modular programs:
Equations describing each process unit (module) are
solved module-by-module in a stepwise manner and
iterative techniques used to solve the problems
arising from the recycle of information
They simulate the steady-state operation of the
process and can be used to draw-up the process flow
sheet, and to size individual items of equipment, such
as distillation columns
Equation based programs
The entire process is described by a set of differential
equations, and the equations solved simultaneously
not stepwise, as in the sequential approach
Equation based programs can simulate the unsteady-
state operation of processes and equipment
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Example
The hydrodealkylation (HDA) process converts
toluene to benzene in the presence of a large
excess of hydrogen
Main reaction: dealkylation of toluene to
benzene and methane
C
6
H
5
-CH
3
+H
2
C
6
H
6
+CH
4
Secondary reaction: formation of naphthalene
as by-product
2C
6
H
6
C
12
H
10
+ H
2
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Example
The reaction, globally exothermic, takes place
in an adiabatic Plug Flow Reactor at pressures
of 25 to 35 bars and temperatures between
620 and 720
o
C
Large excess of hydrogen, typically 5:1 molar
ratio, prevents the formation of coke
The reaction conversion is typically 60-80%,
because at higher value the selectivity drops
rapidly
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Example 1
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Fig. 6 UOP HDA process for benzene production
Source: Alexandre C. Dimian, Integrated design and simulation of chemical processes,
Elsevier, 2003.
FEHE: feed effluent
heat exchanger
Example 1
Problem analysis
Input/Output streams
Reactor system
Reactor-Separation-Recycle system
Separation system
Control of flowsheet specifications
Transformation of real units in simulation units
Degrees of freedom analysis
Thermodynamic issues
Tear streams and computational sequence
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Example 1
Input/Output streams
Input streams: Toluene of 100% purity and
Hydrogen with 5% CH
4
At steady state, material balance must be
consistent. That is,
Mass input = Mass output
Output streams: Benzene product, lights gases
from the stabilization column, and heavies
from the distillation column
A gaseous purge stream (methane is entered
as impurity with the hydrogen feed
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Example 1
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Reaction Separation
Hydrogen
Toluene
Benzene
Lights
Heavies
Purge (to remove methane from hydrogen)
Fig.7 Input-output streams for HDA process.
Example 1
Reactor analysis:
The stoichiometric approach is simple but sufficient for
material balance purposes
This modeling approach needs to know, (i) the
conversion of the main reaction and (ii) selectivity of
the secondary reaction
Kinetic model must be considered when accurate
kinetic data is available for either CSTR or PFR
Industrial reactors are much more complex as the ideal
models
Therefore, kinetic models are not important in steady
state flowsheeting at least in the early stages of
process design
Furthermore, kinetic modeling is important in
operation level or plant wide control
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Example 1
Reactor-separator-recycle system:

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Fig. 8 Reactor-separator-recycle structure of HDA process.
Example 1
The Flash unit used for the separation of gas and
liquid phases from a mixture.
A vapour/liquid equilibrium model can simulate
this operation
To simulate the purge we place the unit Split
modeled by Stream Splitter
The gas is recycled via a compressor Comp
simulated by a Compressor unit.
The simulation of the liquid separation system is
more complicated.
Use black-box model for the liquid separation
system
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Example 1
Separation system: The simulation of the train
of distillation columns
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Fig. 9 Liquid separation section of the HDA process.
Stab: stabilizer, and Dist: distillation column
Example 1
Control of flowsheet specifications:
The molar ratio hydrogen/toluene at the
reactor inlet should be kept strictly at 5:1
Manipulated variable: The split-ratio of the
purge
Simulates the steady state behavior of a SISO
(single input single output) feedback
controller
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Example 1
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Fig. 10 Flowsheet controller in the HDA process.
Example 1
Transformation of real units in simulation units:
Some real unit operations can find direct
correspondence with the 'blocks' used in
flowsheeting, as flashes, distillation columns,
heat exchangers, and so on
However, the equivalence could be difficult for
many others
A simple model may be satisfactory for a quite
complex unit
Modeling of real units can follow one of the
following possibilities:

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Example 1
Decomposition in elementary simulation blocks
Example: an azeotropic distillation column may be
decomposed in reboiled stripping column, heat exchanger,
three-phase flash separator and reflux splitter
Aggregation of units
Example: a heat exchanger and a flash vessel may be
combined in a single flash block
Black box units
Examples: membranes, dryers, special separations, and so
on
Add-on user units
This possibility involves the existence of a programming
environment, including the access to physical properties
and other routines
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Example 1
Furnace = heater
Cross heat exchanger: two-side heat exchanger or a
single side heater and cooler coupled by a common duty
Single flash with duty: steam generator, cooler and the
phase separator flash
Degrees of freedom analysis: the degrees of freedom
analysis in a model is the number variables that can be
specified independently

Where, N
F
= degrees of freedom
N
V
= total number of variables involved in the
problem
N
E
= number of independent equations

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E v F
N N N =
Example 1
Three cases:
Case 1: N
F
= 0. The problem is exactly determined. A
unique solution exists.
Case2: N
F
> 0. the problem is underdetermined. At
least one variable can be optimized.
Case 3: N
F
< 0. The problem is overdetermined. No
solution
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Example 1
Degrees of Freedom Analysis:
The number of variables that must be set in order to
solve the system of equations describing the model
In the HDA process we might encounter some
problems in simulating rigorously the distillation
columns because these are involved in a recycle loop
Imposing exact values for products could lead to failure
of computations because of inconsistency in the
material balance
Specification of component recovery as the ratio
between component flow rate in product and feed,
gives always convergence
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Example 1
Thermodynamic issues:
selection of thermodynamic models
Estimation of physical properties for non-library
components
Equation of state model, as for example Peng-
Robinson, for the whole flowsheet
Computational sequence:
The flowsheet must be decomposed in computational
sequences if there are recycle loops and/or design
specifications.
The streams necessary to be initialized are called tear
streams.
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Example 1
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Fig. 11 Process Simulation Diagram of the HDA process.
Example 1
Three recycle loops may be identified:
heat integration around the reactor
recycle of hydrogen, and
recycle of toluene
We have three loops but only two tear streams
Simulation procedure
Once the process simulation diagram known, the following
approach can be followed to run a simulation
Draw the flowsheet
Input the components
Select the thermodynamic options
Analyze the recycles and identify the tear streams
Supply data for input and tear streams
Supply specifications for the simulation units (blocks)
Run and make converge the simulation
Analyze the results
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Process Simulation and Process
Synthesis
The design of chemical process involves synthesis and
analysis
Process synthesis is the overall development of a
process flowsheet by combining individual
steps(equipment and operating conditions) into an
optimal arrangement.
Process analysis breaks down the flowsheet to evaluate
the performance of each individual element as well as
how the overall process would perform, typically by a
process simulator
The flowsheet is synthesized with the use of a process
synthesis model and simulation tool
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Process synthesis model
source: CEP magazine, October 2005, 25-29
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reactor
Separation and
recycle
Heat exchange
network
utilities
Fig. 12 The onion model of process design.
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Example 2
Fig. 13 Process synthesis.
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Fig. 14 Reactor separator recycle system.
Hierarchical approach to process design
Batch vs continuous
Input-output structure of the flowsheet
Recycle structure of the flowsheet
General structure of the separation system
Vapor recovery system
Liquid recovery system
Heat exchanger network

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Layer 1: Reactor
Synthesis of a new process flowsheet should
start at the heart of the chemical process.
That is the reactor system

What is the right reactor model(CSTR, PFR) and
what are its operating conditions(isothermal,
adiabatic, constant outlet temperature, vacuum
and so on)?
How should the product conversion and yield be
determined?
Is a catalyst needed in the reactor system
modeling?

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reactor
Raw materials Valuable products
Layer 2: Separation and recycle
Products and any by-products formed in the reactor
needed to be separated from unconverted reactant for
further purification, while the unconverted raw
material is recycled back to the reactor
Separation system: vapor separation system and liquid
separation system
Flash column is used for phase separation: for example,
mixture of liquid and vapor is separated into the
phases
Vapor separation system: condensers, flash tanks,
absorbers, adsorbers, and gas separation membranes
These unit operations are normally used to purify a
vapor recycle stream before it re-enters the process
A purge stream is always used to avoid undesired
contaminant build-up
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Layer 2
Liquid separation systems include
Distillation (including extractive distillation)
Solvent extraction
Stripping
Filtration (including membrane separation)
Centrifugation and so on
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Layer 2
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Reactor system flash
Vapor
separation
system
Liquid
separation
system
feed
purge
products
byproducts
Fig. 15 The overall separation scheme consists of vapor, liquid and flash separations
Recycle system: Tear stream concept
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A B C D E F
R
1
R
2
Recycle stream
Tear recycle stream
Unit operation in simulator
Fig. 16 The tear stream concept is used in recycle simulation.
Tear Recycle stream
Use the concept of a tear stream in modeling of a recycle loop
In Fig. 16, the recycle stream after unit F is considered as two
separate tear streams R
1
and R
2

Step 1: Perform the simulation for the units A and B
Step 2: Assume initial value for R
1
and perform the simulation
of unit C
Step 3: Perform the simulation for the units D, E and F
Step 4: After unit F converges, compare the flowrate of stream
R
2
with the initial value for R
1
Step 5: If the values of R
1
and R
2
agree to within a specified
tolerance, it is likely that the simulation model has converged.
The calculated value of R
2
is used in place of R
1
in unit C and
the simulation is rerun
Step 6: if tear streams R
1
and R
2
do not agree to within the
specified tolerance, the initial guess for R
1
must be revised
and perform the simulation(without connecting the recycle
stream to unit C) until the convergence is achieved.


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Layer 3: Heat exchanger network
The process heating and cooling loads are
determined after the process structure within the
two inner layers of the onion model has been
finalized
Design and model the heat exchanger network
Use the tool of process integration
Utility targeting
Network design
After a preliminary network has been
synthesized, the process flowsheet will undergo a
complete re-simulation for the verification of
energy balances
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Layer 4: Utilities
The selection of hot and cold utilities is
another well established application of
process integration
Options to be explored for the placement of
the heat pump and heat engine
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Example 2: Production of n-octane
The onion model synthesis and simulation technique
will be used to develop a process flowsheet for n-
octane (C
8
H
18
) production from ethylene(C
2
H
4
) and i-
butane(C
4
H
10
). The component flowrates (some
impurities) and stream specifications for the fresh
feed are given Table 2.
8/2/2012 58
component Flow rate
(kg-mol/h)
specification
Nitrogen N
2
0.1 T = 30
o
C
P = 20 psia
Ethylene C
2
H
4
20
n-Butane C
4
H
10
0.5
i-Butane C
4
H
10
10
Table 2. Feed specifications for the production of n-octane.
Example 2: Production of n-octane
Q1: Draw the input-output streams for n-octane
production process.
Q2: Develop process flowsheet for n-octane
production process.
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Answer for Q1
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Reaction
Separation
purge
n-octane
Nitrogen
Ethylene
n-Butane
i-Butane
Fig. Q1: Input-output streams for n-octane production process.
Example 2
Flowsheet development:
Layer 1: Reactor
Ethylene and i-butane react isothermally in a
stoichiometric isothermal reactor at 93
o
C to
produce n-octane.
The key limiting component is ethylene
Overall conversion is 98%
The pressure drop across the reactor is specified
at 5 psi.
The reaction is
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18 8 10 4 4 2
2 H C H C H C +
Example 2
Layer 2: Separation and recycle
Flash column is added to the reactor effluent to separate
unconverted raw materials from the desired product
A pressure drop of 2 psi is introduced, while the operating
temperature is maintained the same as that of the reactor
The more volatile compounds (ethylene, i-butane and other
impurities) are flashed to the top product stream together with
a small portion of n-octane, while remaining n-octane leaves at
the bottom
An additional separation unit is needed to recover the n-octane
from the top stream
Distillation is then added to the flash columns top product to
recover n-octane
10 theoretical trays, operating pressure 15 psia
Bottom product: n-octane
Top products: volatile components
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Example 2
The unconverted raw material leaving at the
top of the distillation column is recycled back
to the reactor
A purge stream is added before the stream is
recompressed, reheated and sent back to the
reactor
Layers 3 and 4: the design of heat exchanger
network and utility system will be handled
simultaneously.

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Example 2
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Fig. 17 Preliminary flowsheet for the production of n-octane after completion of
onion model layers 1 and 2.
Source: CEP magazine, October 2005, page 28.
Example 2
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Fig. 18 The complete flowsheet with a heat-integrated distillation column
Source: CEP magazine, October 2005, page 28.
Outline of the hierarchical approach
Hierarchical Approach is a methodological frame for
the conceptual synthesis of process systems. The
overall strategy is organized in a number of levels,
each level being decomposed in a number of tasks.
The approach presented below is organized in eight
levels as follows (Douglas and Stephanopoulos,
1995):
Level 0 - Input information
Collect data on chemistry, raw materials, product
specifications, economic constraints and legal regulations.
Level 1 - Number of Plants
Determine the number of plants for multi-step reactions.

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Outline of the hierarchical approach
Level 2 - Input-Output Structure and Plant
Connections
Specify feed, exit and recycle streams for each
plant. Specify interconnections between plants.
Estimate minimum capital and operation costs.
Level 3 - Recycle structure of the simple
plants
For each plant specify reactor type, recycle
streams and flows.
Set upper and lower limits for conversion by
taking into account the cost of recycles.
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Outline of the hierarchical approach
Level 4 - Separation systems of the simple plants
For each plant specify the separation system and estimate
its annualised cost.
Additional hierarchical refinement reveals seven sub-
levels.
4a. General separation structure: identify specific
separation subsystems.
4b.Vapour separation and recovery system: separate
gaseous products and recover valuable liquid components.
4c. Solid recovery system: recover valuable solids from
solutions.
4d. Liquid separation system(s); separate products from
liquid mixtures.
4e. Solid separation system: separate solid products.
4f. Combine separation systems in the whole flowsheet,
and study interactions.
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Outline of the hierarchical approach
Level 5. Process Integration
5a. Pinch Point Analysis: Heat Exchanger Network
(HEN) design for optimal heat and power saving.
5b. Water Minimization: design an efficient system
for the recycling of water.
5c. Solvent Minimization: design an efficient
system for the recycling of solvents.
Level 6. Evaluate Alternatives
6a. Examine alternative design decisions.
6b. Examine alternatives for the reactor design.
6c. Consider more efficient separation systems.
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Outline of the hierarchical approach
Level 7. Hazop analysis
7a. Identify sources of hazards and risks.
7b. Perform hazard and operability study.
Level 8. Control system synthesis
8a. Plantwide Control: develop the control
strategy of the whole plant.
8b. Control structure for units: design control
structures for individual units.
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Mass balances with recycle streams
Law of conservation of mass
Mass neither be created nor destroyed although it
is transformed from one form to another form
That is, mass input = mass output
Mass balances for three simple units
Mixer
Separator
Reactor

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Mass balances with recycle streams
Mixer(MIXR)



Separator(SEPR)
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MIXR
out
i
n
2
i
n
3
i
n
1
i
n

=
=
nstrm
j
j
i
out
i
n n
1
separator
1
i
n
2
i
n
in
i
n
( )
i
in
i i
i
in
i i
sf n n
sf n n
=
=
1
1
2
Where, sf
i
is the split fraction:
The fraction of component i going
to the overhead stream
Mass balances with recycle streams
Reactor(REAC)


Stoichiometry

N moles of A react, then (b/a)N moles of B
also react and form (c/a)N moles of C and
(d/a)N moles of D
Limiting reactant here is A and conversion of A
is x

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Reactor
in
i
n
out
i
n
dD cC bB aA + +
Mass balances with recycle streams
The equation for each of the components is

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x n
a
d
n n
x n
a
c
n n
x n
a
b
n n
x n n n
in
A
in
D
out
D
in
A
in
C
out
C
in
A
in
B
out
B
in
A
in
A
out
A
+ =
+ =
=
=
Example 3: without recycle
A stream in a refinery is at 100 psia and 75
o
F and
contains the following:






Your task is to separate this stream into five
streams, each of which is a relatively pure stream
of one component.
8/2/2012 75
component flow rate
(lb mol/ h)
propane 100
i-Butane 300
n-Butane 500
i-Pentane 400
n-Pentane 500
total 1800
Example 3
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Fig. 19 Distillation train.
Example 3
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Fig. 20 Simplistic distillation train.
Example 3
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Fig.21 Distillation train modeled using simple SEPR units.
Example 3
8/2/2012 79
Stream number
1 2 3 4 5 6 7 8 9
split
fraction
SEPR-1 SEPR-2 SEPR-3 SEPR-4
C3 0.99 1 1 1
i-C4 0.005 0.99 1 1
n-C4 0 0.005 0.99 1
i-C5 0 0 0.005 0.99
n-C5 0 0 0 0.005
Flow rate
lb mol/h
C3 100 99 1 1 0 0 0 0 0
i-C4 300 1.5 298.5 297 1.5 1.5 0 0 0
n-C4 500 0 500 2.5 497.5 495 2.5 2.5 0
i-C5 400 0 400 0 400 2 398 396 2
n-C5 500 0 500 0 500 0 500 2.5 497.5
Example 4: with recycle
Consider a simple process in which the reactor can
only convert 40 percent of the feed to it (perhaps
due to equilibrium constraints), but the separation of
reactant A and product B is complete and the
unreacted A is recycled. Solve the problem using (a)
sequential method, and (b) tear stream approach.
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MIXR REAC SEPR
feed
product
S1
S2
S3 S4
S5
1 A
0 B
A B
40 % conversion per pass
Recovery fraction
100 % A
0 % B
Fig. 22 Process with recycle and 40 % conversion per pass.
Ans:
S5 = 1. 5 mol
Example 5: Process flowsheet simulation using
simple mass balances
Solve mass balances for a process consisting of a feed stream, a
mixer in which the feed stream is mixed with the recycle stream,
and a reactor, followed by a separator where the product is
removed and the reactants are recycled.
The process takes hydrogen and nitrogen (in a 3:1 ratio) to make
ammonia. The reactor is limited by equilibrium and 25 percent
conversion per pass in the reactor. Use stoichiometric feed and
determine the molar flow rate of components in each stream using
Excel
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3 2 2
2
3
2
1
NH H N +
Mixer reactor separator
1
2
3
Stoichiometry
4 5
6
N
2
= 100
H
2
= 300
98 %NH
3
0.5 %N
2
0.5 %H
2
Fig. 23 Ammonia process with a recycle.
Example 5: Solution
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Example 6
Flowsheet simulation using chemical reaction
equilibrium:
the reactor conversion is changed to be the
equilibrium conversion, which may not be 25 percent.
The equilibrium equation is given by




Recalculate the molar flow rate of components in
each stream using tear stream concept.
Data
K
p
= 0.05 at 589 K, P = 220 atm

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3 2 2
2
3
2
1
NH H N +
P y y
y
p p
p
K
H N
NH
H N
NH
p
1
2 3 2 1 2 3 2 1
2 2
3
2 2
3
= =
Example 6: Solution
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Example 7
Flowsheet simulation in a reactor-separator-
recycle system including phase equilibrium:
Process ammonia synthesis
Ammonia is condensed
Conversion per pass in the reactor is 25 %
Phase separation
K values: nitrogen 4.8, hydrogen 70, ammonia 0.051,
and carbon dioxide 0.32
Flow rates of nitrogen, hydrogen and carbon dioxide
into the process are 100, 300, and 1 mol/time
Because of carbon dioxide, we add a purge stream as
1 % of the recycle stream.
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Example 7
Separator model: Rachford-Rice equation








Draw the simplified flowsheet for ammonia synthesis
and perform mass balances with vapor-liquid
equilibria
8/2/2012 86
( )
( )
( )
( )

= = =
=
= = =
= =
= =
=
+
=
=
+

n
i
n
i
n
i
i i i
i i
L
i
i i
v
i
i i i
i
i
i
n
i
i
i i
y x z
x F Lx n
y F Vy n
x K y
K
z
x
K
z K
1 1 1
1
1 , 1 , 1
1
1 1
0
1 1
1
o
o
o
o
Where,
z
i
is the mole fraction of the species i into the flash
K
i
is the K value for the species i
(vapor pressure/total pressure)
o is the fraction of feed that goes out as vapor
x
i
is the mole fraction of species i in the liquid phase
y
i
is the mole fraction of species i in the vapor phase
V is the vapor flow rate
L is the liquid flow rate
F is the feed flow rate
Example 7: Solution
8/2/2012 87
mixer reactor
Flash
separator
separator
Fig. 24 Ammonia process with vapor-liquid equilibria and a purge stream.
1
feed
5
product
7
purge
2
out of
mixer
3
reacting
4
out of
reactor
6
8
Example 7: Solution
8/2/2012 88
constraints
Basic steps in flowsheet synthesis
Synthesis of a chemical process
Gathering information
This step helps to uncover existing process
alternatives
Literature survey
Representing alternatives
Flowsheet and different aggregations
Representing processes using tasks(mixing,
composition change, heating, reaction, separation)
Flow of heat in a process (temperature versus amount
of heat transferred)
Representing the changes in composition space is
useful for the synthesis of reactor network




8/2/2012 89
Basic steps in flowsheet synthesis
Criteria for assessing preliminary designs
How much is a design worth to our company?
Need to assess the performance of a design alternative and a
value for that performance
Process performance: use equations from first principles (mass
and energy balances to establish stream flows, temperature and
pressure)
Value of a design (profitable or not)
Economic evaluation: cost of equipment and the costs
associated with the purchase of utilities
Environmental concerns:
pollution control, safety,
flexibility: process design requires the manufacture of specified
products in spite of variation in the feedstocks and the operating
conditions
Controllability: ability to operate the process satisfactorily while
undergoing dynamic changes from one operating condition to
another or recovering from disturbances


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Basic steps in flowsheet synthesis
Generating and searching among alternatives
The availability of a concise representation is
essential for the generation and description of the
alternatives

8/2/2012 91
Conclusion
In this lecture, the general concepts for the
flowsheet synthesis are discussed.
The steady state simulation of process
flowsheet is presented with illustrative
examples.
8/2/2012 92
References
Alexandre C. Dimian, Integrated Design and Simulation
of Chemical Processes, Elsevier, 2003.
R. Smith, Chemical Process: Design and Integration,
Wiley, 2005.
D. Chwan Yee Foo, Z. A. Manan, M. Selvan, M. L.
McGuire, Integrate Process Simulation and Process
Synthesis, Chem. Eng. Prog. October 2005, 25-29.
Bruce A. Finlayson, Introduction to Chemical
Engineering Computing, Wiley, 2006.
L. T. Biegler, I. E. Grossmann, A. W. Westerberg,
Systematic Methods of Chemical Process Design,
Prentice Hall, 1997.
Max S. Peters, Klaus D. Timmerhaus, Plant design and
economics for Chemical Engineers, McGraw Hill, fourth
edition, 1991.
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