1.

Introduction to Process Synthesis

Overview:
1. The nature of chemical process design
o A challenging, open-ended problem with incomplete information
2. Types of process synthesis problems
o The type of product affects the type of process and performance metrics
3. The hierarchy of chemical process design
o Reaction separation recycle heat integration
4. The reaction-separation-recycle flowsheet structure
o Start with simple input/output structure and increase detail
o Several alternatives arise from structural design decisions
5. Performance evaluation
o Economic and other quantitative metrics, as well as less-quantifiable issues
6. Approaches for process synthesis and design
o Evolutionary vs. optimisation-based? No simple ‘recipe’ to solve design
problem
7. Modelling for process design
o Process simulation can provide much quantitative information, but has limitations
• Process synthesis can lead to many alternative flowsheet configurations
o A systematic approach can help to ensure that promising options are not overlooked
• Heuristics and insight can allow some options to be eliminated without detailed analysis
• Quantitative evaluation of alternatives is usually needed
o We need mathematical models of process alternatives
o The mathematical models needs to allow ‘good’ alternatives to be identified
o Engineering time is expensive
- e.g. generating flowsheet alternatives, setting up models, carrying out simulation
studies, economic evaluations

Intended learning outcomes (recap)

• Demonstrate understanding of key decisions to be made during process synthesis,
evaluation and optimisation
- identify, list, describe, discuss decisions and degrees of freedom
• Appreciate role of metrics (objectives) related to design performance and their role in
decision making
- list metrics, explain relevance and limitations, note 'decisions' needed
• Apply relevant concepts to evaluate and choose a synthetic route for the manufacture of
a chemical product.
- propose route, support proposal, evaluate performance
• Analyse and evaluate design alternatives, considering relevant metrics
- identify and evaluate alternatives, compare and discuss performance
 2. Process optimisation
Overview:
1. Key concepts and examples
o Mathematical models and suitable optimisation algorithms are needed
2. Mathematical modelling
o Models must find a balance between accuracy and complexity
3. Objective functions
o Multiple optima and nonconvexity introduce challenges
4. Constraints
o Need to be developed to give realistic solutions
5. Linear optimisation
o Problems are relatively straightforward to solve
6. Non-linear optimisation
o It is challenging to find the global optimum
7. Structural optimisation
o MILP and MINLP problems present new challenges for modelling and solving
8. Solving optimisation problems in practice
o Superstructure-based process design optimisation achieves high profit

Process design optimisation aims to generate an optimal design from many alternative
options
o Require creating superstructure for flowsheet design
o Require developing models for the superstructure and selecting efficient solution
algorithms for optimisation
• Process models should balance model accuracy and complexity
o Building a good model is extremely important
• Choice must be made regarding the types of optimisation
problems and corresponding solution methods
o LP, NLP, MILP vs. MINLP
o Convex vs. nonconvex optimisation models
o Global optimum vs. local optimum

Intended learning outcomes

• Demonstrate understanding of key concepts of process design optimisation
- Identify model as linear, non-linear; region as convex, non-convex…
• Demonstrate understanding of process modelling principles,
approaches and procedures
- Describe or define model, objective function, variable(s), constraints
• Apply process modelling principles, approaches, and procedures to develop optimisation
models for problems related to process synthesis and design
 - Set up or explain model or approach; relate process phenomena to process
modelling and optimisation
• Demonstrate understanding of optimisation theory and methods
- Explain terminology; relate design problem to mathematical entities…
• Apply optimisation theory and methods to solve optimisation problems related to process
synthesis and design
- Set up and solve optimisation problem (manually or using Excel)

3. Reaction process selection

Overview:
• Reaction process design
o Central to chemical process design
• Selection of a synthetic pathway
o Significantly affects safety, sustainability and process economics
• Reaction and reactor modelling
o Models may be rather simple and valid only in a limited range of operating conditions
• Types of reaction
o Type of reaction affects selectivity and yield and hence choice of reactor type and
configuration
• Effect of reaction conditions
o Need to select concentration, temperature and pressure for to enhance reactor
performance
• (Real) reactor configurations
o Engineered to achieve heat transfer, mixing, multi-phase contact

Learning outcomes – recap

• Demonstrate understanding of key decisions to be made during reaction pathway
selection and reaction process synthesis and design
• Apply relevant concepts to evaluate and choose a
synthetic route for the manufacture of a chemical product
• Balance trade-offs in reaction process design by using
appropriate performance metrics
• Apply models and relevant metrics to design and
evaluate alternative reaction processes
- Appreciate importance of selecting and manipulating reaction
conditions to enhance reactor performance
 4. Development of flowsheet alternatives

Summary:
1. Separation technology selection and configuration
o Two-phase systems facilitate separation using a wide range of separation driving forces
o Distillation column design variables and sequence options matter
2. Heuristics for chemical process design
o Helpful, although qualitative and general, not systematic or rigorous
3. Hybrid reaction–separation processes
o Can sometimes provide effective solutions to enhance yield
4. Heat recovery and process integration
o Pinch analysis allows energy requirements to be evaluated, given the material and
energy balance of the flowsheet
5. Site utilities
o The steam system provides heating at various temperatures
6. Resources for process design
• Some useful sources of relevant information have been introduced

Intended learning outcomes – recap

• Demonstrate understanding of important choices related to separation technology
o Demonstrate understanding of choice of distillation operating conditions and distillation
sequence
– Select conditions, justify selection, discuss trade-offs arising...
o Show appreciation of hybrid reaction–separation technologies and related benefits
– Explain key features; suggest / consider combining technologies
• Apply heuristics to generate or analyse flowsheet alternatives
• Understand the role of process integration and of site utility systems in process synthesis
o Apply process integration techniques to select flowsheet structure and operating
conditions for improved flowsheet performance
– Identify / evaluate heat recovery opportunity; propose process changes to facilitate
heat recovery; analyse proposed heat recovery scheme...
• Use relevant resources to support generation and evaluation of flowsheet alternatives
– Interpret data to propose or analyse a flowsheet; identify what information is
required before proposing, evaluating or analysing a flowsheet...
 5. Development of flowsheet alternatives

Summary:

1. Separation technology selection and configuration

o Two-phase systems facilitate separation using a wide range of separation driving forces
o Distillation column design variables and sequence options matter
2. Heuristics for chemical process design
o Helpful, although qualitative and general, not systematic or rigorous
3. Hybrid reaction–separation processes
o Can sometimes provide effective solutions to enhance yield
4. Heat recovery and process integration
o Pinch analysis allows energy requirements to be evaluated, given
the material and energy balance of the flowsheet
5. Site utilities
o The steam system provides heating at various temperatures
6. Resources for process design
o Some useful sources of relevant information have been introduced

Intended learning outcomes – recap

• Demonstrate understanding of important choices related to separation technology

o Demonstrate understanding of choice of distillation operating conditions and distillation
sequence
– Select conditions, justify selection, discuss trade-offs arising...
o Show appreciation of hybrid reaction–separation technologies and related benefits
– Explain key features; suggest / consider combining technologies
• Apply heuristics to generate or analyse flowsheet alternatives
• Understand the role of process integration and of site utility systems in process synthesis
o Apply process integration techniques to select flowsheet structure and operating
conditions for improved flowsheet performance
– Identify / evaluate heat recovery opportunity; propose process changes to facilitate
heat recovery; analyse proposed heat recovery scheme...
• Use relevant resources to support generation and evaluation of flowsheet alternatives
– Interpret data to propose or analyse a flowsheet; identify what information is
required before proposing, evaluating or analysing a flowsheet...