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ChemicalProcessDesign

Subject3.OverviewofProcessSynthesis

JavierR.ViguriFuente
CHEMICALENGINEERINGANDINORGANIC
CHEMISTRYDEPARTMENT
UNIVERSITYOFCANTABRIA
javier.viguri@unican.es
License:
CreaNveCommonsBYNCSA3.0

INDEX
1.- Preliminary Process Synthesis
2.- Basic Steps in flowsheet synthesis
- Gathering Information
- Representing Alternatives
- Criteria for Assessing preliminary design
3.- Generation of flowsheets
- Hierarchical decomposition
- Process Integration and Intensification
Case Study: application of hierarchical decomposition

- Superstructure optimization
* Examples: HEN, Distillation, Waste treatment network

4.- Further Reading and References


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1.- Preliminary Process Synthesis

Raw materials

PROCESS
FLOWSHEET ?

Desired Product

Process synthesis problem

Steps in process synthesis: Process operations  Flowsheets


- Chemical State: Raw material and product specifications (Mass,
composition, phase, form of solid phase, T, P, well defined properties
as , MW or color).

- Process

Operations:

Basic operations, connected +


integration, where operations are combined in Unit Processes.

task

- Synthesis Steps: Eliminate property differences between raw


materials and products  organized alternatives into a synthesis tree.

1.- Preliminary Process Synthesis


SYNTHESIS STEP

PROCESS OPERATIONS SYNTHESIS TREE

- Eliminate differences
In molecular types

- Chemical reaction

- Distribute the chemicals


by matching sources
and sinks

- Mixing

-Eliminate differences in
composition

- Separation

- Eliminate differences in
T, P and phase

- T, P, phase change

- Integrate task

- Unit operations

2.- Basic Steps in flowsheet synthesis


- Gathering Information and Database creation
Basic thermo-physical properties for all chemicals considered
Information about reaction and conditions
Yield
Product purity
Raw materials
Process bounding (restrictions)
Utilities
Environmental Impact and toxicity of components
Cost of equipment, utilities and subproducts. Chemical prices

2.- Basic Steps in flowsheet synthesis


- Representing Alternatives
AGREGATION IN A SINGLE OBJECT
EQUIPMENT AGREGATION REPRESENTING A FUNCTION OF HIGHER LEVEL
as: Feed preparation, reaction, recovery, separation.
* COMPLETE FLOWSHEET : Equipment and inter-conexin
- Block Flow Diagram (BFD). Process Flow Diagram (PFD). Flowsheet  Unit
operations
- Task Diagram (Change of P, T, Comp.)  Batch Processes where the all tasks are
developed in the same equipment but at different times
* MORE SPECIALISED REPRESENTATIONS (Process Subsystems): T vs.
Transfered Heat amount. Allow to obtain alternatives to the heat exchange between
streams, minimum heat and cool utilities, etc., in the HEN (Heat Exchange Networks).
* REPRESENTATION OF THE PROCESS TRANSITIONS IN THE SPACE OF
CHEMICAL COMPOSITION: Useful to synthesis of reactor networks and non-ideal
separation processes.
* OTHER REPRESENTATIONS: Useful to think about the design problem. Describe
design alternatives.

2.- Basic Steps in flowsheet synthesis


- Criteria for Assessing preliminary design
ECONOMIC EVALUATION
Need  Equipment and utilities Cost. Mass and heat balances solved
ENVIRONMENTAL CONCERNS
Need  Satisfy regulations / EIA / LCA.
SAFETY ANALYSIS
Determine whether any reasonable combination of events leads to
unsafe situations. HAZOP Analysis.
FLEXIBILITY
Requires  manufacture of specified products in spite of variations in
the feeds it handles, ( $, supply), T cooling water, heat transfer coeff.
Oil Refinery: Earnings = F(capacity of process different oils at different
time + scheduling)
CONTROLLABILITY
Ability of operate the process satisfactorily while undergoing dynamic
changes in operation conditions or while recovering from disturbances 7

2.- Basic Steps in flowsheet synthesis


- Criteria for Assessing preliminary design: Pareto Optimal Frontiers (POF);
F1(Costs, NPV), F2(EI99, GWP100, RCO2)
POF approaches:
- Power Plants: Li et al., 2006; Bernier et al., 2010; Pelster et al.,
2001; Yokohama and Ito, 1995
- Process systems: Mele at al., 2011; Gerber et al., 2011; GillenGosalbez and Grossmann, 2010, 2009;

Feasible
Solutions
(Suboptimal)
Li, H., Marechal, F., Burer,
M., Favrat, D., 2006, Multiobjective optimization of an
advanced combined cycle
power plant including CO2
separation options. Energy
31, 31173134

Unfeasible
Solutions
(Impossible)

Pareto
Optimal
Frontier

3.- Generation of flowsheets: How to generate flowsheets?


Exhaustive enumeration  may involve 103 106 flowsheets
 Methods to reject non-viable alternatives easy and quickly

- Hierarchical Decomposition:
- Successive Refinement.
- Tends to ignore some strong interactions between the
levels
- Obtaining flowsheets to apply optimization
- Superstructure optimization:
- Optimize superflowsheet that contains all alternatives
- Interactions between levels can be considered
systematically (with more powerful strategies).
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3.- Generation of flowsheets: Integrated Chemical Processes


Feed

Level 1

Level 2

Level 3

Level 4

Level 5

BatchContinuous

Input-output
structure

Recycle
structure

Separation
Synthesis

Heat Recovery

Product

DESIGN: Hierarchical decomposition approach; Integrated approach


Process Integration of unit operations to design multifunctional integrated chemical
manufacturing systems.
Advantages of process integration
- Higher productivity
- Higher selectivity
- Reduced energy consumption
- Improved operational safety
- Improved ecological harmlessness by avoidance of auxiliary agents and chemical wastes

* Due to he interaction of several process steps in one apparatus (system), the steadystate and the dynamic operating behavior of integrated process unit (system) is much
more complex than the behahvior of single, non-integrated units (systems).
Examples:
- Heat and Power Integration;

Heat Transfer + Chemical reactions (fuel cell with internal


reforming); Separation Process + Chemical reactions (reactive distillation); Mechanical Unit
Opeartions + Chemical reactions (Reactive extrusion)
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3.- Generation of flowsheets: Process Intensification

F
e
e
d

Level 1
BatchContinuo
us

Level 2
Inputoutput
structure

Level 3
Recycle
structure

The aim of Process Intensification is to optimize capital, energy,


Environmental and safety benefits by radical reduction in the physical size of the plant.

Level 4
Separatio
n
Synthesis

Level 5

Produc
t

Heat
Recovery

DESIGN: Hierarchical decomposition approach; Integrated approach

Development of novel apparatuses and techniques, as compared to the present state-of-art, to


bring dramatic improvements in manufacturing and processing, substantially decreasing equipment
size/production-capacity ratio, energy consumption, or waste production
Advantages of process intensification Development of novel apparatuses and techniques, as
compared to the present state-of-art, to bring dramatic improvements in manufacturing and
processing, substantially decreasing equipment size/production-capacity ratio, energy consumption,
or waste production.
- 99% reduction in impurity levels  Better product quality  more valuable
- Just-in-time manufacture becomes feasible with ultra-short residence times.
- Distributed (rather than centralised) manufacture more economic. 60% capital cost reductions
- 70% plus reduction in energy usage and hence substantial reduction in operating cost
- Lower waste levels reduce downstream purification costs.
- 99.8% reduction in reactor volume for a potentially hazardous process, leading to inherently safe operation. Smaller
inventories lead to improved intrinsic safety.
- Better control of process irreversibilities can lead to lower energy use.

Examples:
- Equipments: heat exchanger in the form of the printed circuit/diffusion bonded unit; microchannel heat
exchangers; structured packed columns; heat exchange reactor; supersonic gas liquid reactor.
- Methodologies: reactive distillation, reactive extraction, membrane separations, oscillating flows in reactors,
membrane reactions, fuel cells. Use of ultrasound, microwave, centrifugal fields, supercritical fluids.
- Industrial applications: Small intensely stirred reactors and microchannel reactors in Organic Nitration
(nitroglycerine); isothermal reactor crystallizer in Phosphoric acid; single equipment to coagulation of latex,
washing, extrusion, dewatering and drying in styrene-butadiene rubber. Methyl isocyanate (MIC-Bhopal
accident) generated and immediately converted to final pesticide in process with a total inventory <10 kg MIC.
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3.- Generation of flowsheets: Case Study


- Application of Hierarchical decomposition: 5 Levels
- To interpret a given flowsheet in terms of hierarchy
(proceed in reverse).  to discover alternatives
1. Remove heat exchangers, pumps
2. Group all liquid + vapor separators
 Level 4 Separation synthesis
3. Aggregate structure separation
 Level 3 - Recycle structure
4. Lump entire process
 Level 2 Input-output structure
Memo 1 is to obtain Base Case Flowsheet

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3.- Generation of flowsheets


- Superstructure Optimization
Representation that contains all the alternatives to be considered
for a design.
Useful with high number of alternatives
State-Task Network (STN)
2 kind of Nodes: State and Task. 1 Task in 1 Equipment
State-Equipment Network (SEN)
2 kind of Nodes: State and Equipment. Several Tasks in 1
Equipment.
Example 1: Heat exchange of H1 with C1, C2, C3 and H1, H2 with C1, C2
Example 2: Wastewater treatment network
Example 3: Synthesis of ammonia plant
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Example 1: Heat exchange of H1 with C1, C2, C3 and H1, H2 with C1, C2

Superstructure
(Floudas et al.,1986)

STAGE 1

STAGE 2

H1-C1

H1-C1
H1-CU

H1
C1-HU

Superstructure

H1-C2

H1-C2

C1

(Yee and Grossmann, 1990)

C2
H2-C1

H2-C1

C2-HU
H2-CU

H2

H2-C2

H2-C2

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Example 2: Wastewater treatment network


Super-structure for the industrial waste waters treatment, eliminating suspended
solid, heavy metals, inorganic salts, organic compounds unsuitable for biological
treatment, bioorganic compounds.
MbH
MbS
Solid
BATs

Sp
S

MbI
MbO
MbB

Wastewater 1

Sw1

MbH

SpH
HM.
BATs

MbB

MbI
Wastewater 2

MbI
MbO

Sw2

Inorg.
BATs

SpI

MbO

Final
wasterwater
to discharge

MbB
Final Mixer

MbO

Wastewater 3

Org.
BATs

Sw3

SpO
MbB

Biorg.
BATs
MbB

SpB
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Example 2: Wastewater treatment network

Sw1

MbS
Solid
BATs

Sp
S

MbH
SpH

HM.
BATs

Sw2

Final
Mixer
MbI
Sw3

Inorg.
BATs

Sp
I

Super-structure for the industrial waste waters treatment, eliminating suspended


solid, heavy metals and inorganic salts (Galan and Grossmann, 1998, 2011).

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Example 3: Synthesis of ammonia plant

Superstructure
(Biegler et al.,1997)

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4.- Further Reading and References


Biegler, L., Grossmann, I., Westerberg, A., 1997, Systematic Methods of Chemical
Process Design, Prentice Hall.
Douglas, J.M., 1988, Conceptual Design of Chemical Processes. McGraw-Hill.
Floudas, C.A., Ciric, A.R., Grossmann, I.E., 1986, Automatic synthesis of optimum heat
exchanger network configurations. AIChE Journal, 32 (2), pp. 276-290
Galan, B., Grossmann, I.E., 1998, Optimal design of distributed wastewaters treatment
networks. Industrial and Engineering Chemistry Research, 37 (10), pp. 4036-4048.
Galn, B., Grossmann, I.E., 2011.Optimal design of real world industrial wastewater
treatment networks. European Symposium on Computer-Aided Process Engineering
ESCAPE-21. E.N. Pistikopoulos, M.C. Georgiadis and A.C. Kokossis (Editors).
Smith, R.M., 2005, Chemical Process: Design and Integration. John Wiley & Sons
Yee, T.F., Grossmann, I.E., 1990, Simultaneous optimization models for heat
integration-II. Heat exchangers networks synthesis. Computers and Chemical
Engineering 14 (10), pp. 1165-1184.
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