Synthesis and Operability Strategies for Computer-Aided Modular Process Intensification

Front Cover
Synthesis and Operability Strategies for Computer-Aided Modular Process Intensification
Copyright
Contents
Authors' biographies
Preface
Acknowledgments
Part 1 Preliminaries
1 Introduction to modular process intensification
1.1 Introduction
1.2 Definitions and principles of modular process intensification
1.3 Modular process intensification technology showcases
1.3.1 Thermally coupled distillation and dividing wall column
1.3.2 Reactive distillation
1.3.3 Membrane-assisted separation
Reverse osmosis
Pervaporation- and vapor pervaporation
1.3.4 Microreactors
1.3.5 Periodic operation
Pressure swing adsorption
Sorption enhanced reaction processes
Reverse flow reactors
References
2 Computer-aided modular process intensification: design, synthesis, and operability
2.1 Conceptual synthesis and design
2.1.1 Knowledge-based methods
2.1.2 Optimization-based methods
2.1.3 Hybrid methods
2.1.4 Software tools for process synthesis
2.2 Operability, safety, and control analysis
2.2.1 Process flexibility analysis
2.2.2 Process inherent safety analysis
2.2.3 Process control
2.3 Research challenges and key questions
References
Part 2 Methodologies
3 Phenomena-based synthesis representation for modular process intensification
3.1 A prelude on phenomena-based PI synthesis
3.2 Generalized Modular Representation Framework
3.3 Driving force constraints
3.4 Key features of GMF synthesis
3.5 Motivating examples
3.5.1 Four-tray simulation in distillation column
3.5.2 Reactor-separator simulation
References
4 Process synthesis, optimization, and intensification
4.1 Problem statement
4.2 GMF synthesis model
4.3 Pseudo-capital cost estimation
4.3.1 Separation and reactive separation modules
4.3.2 Reaction modules
4.4 Solution strategy
4.5 Motivating example: GMF synthesis representation and optimization of a binary distillation system
4.5.1 Process description
4.5.2 GMF problem formulation
4.5.3 Results and discussions
Nomenclature
References
5 Enhanced GMF for process synthesis, intensification, and heat integration
5.1 GMF synthesis model with Orthogonal Collocation
5.2 GMF synthesis model with heat integration
Hot side
Cold side
Heat integration feasibility constraints
5.3 Motivating example: GMF synthesis, intensification, and heat integration of a ternary separation system
5.3.1 Process description
5.3.2 Synthesis of simple distillation column sequences
5.3.3 Synthesis of heat-integrated distillation column sequences
5.3.4 Synthesis of ternary complex distillation sequence
References
6 Steady-state flexibility analysis
6.1 Basic concepts
6.2 Problem definition
6.2.1 Flexibility test
6.2.2 Flexibility index
6.3 Solution algorithms
6.3.1 Vertex enumeration
6.3.2 Active set strategy
6.3.3 Remarks
6.4 Design and synthesis of flexible processes
6.5 Tutorial example: flexibility analysis of heat exchanger network
6.5.1 Process description
6.5.2 Problem solution
Step 1: Energy balance equations
Step 2: Heat transfer feasibility constraints
Step 3: State variable elimination
Step 4: Flexibility index calculation
References
7 Inherent safety analysis
7.1 Dow Chemical Exposure Index
7.2 Dow Fire and Explosion Index
7.3 Safety Weighted Hazard Index
7.4 Quantitative risk assessment
References
8 Multi-parametric model predictive control
8.1 Process control basics
8.1.1 PID control basics
8.1.2 Model predictive control basics
8.1.2.1 Tutorial example 1: quadratic programming formulation of MPC
8.2 Explicit model predictive control via multi-parametric programming
8.2.1 Tutorial example 2: multi-parametric MPC
8.3 The PAROC framework
8.4 Case study: multi-parametric model predictive control of an extractive distillation column
8.4.1 Process description
8.4.2 mp-MPC controller design via the PAROC framework
Step 1: high fidelity dynamic modeling
Step 2: model approximation
Step 3: mp-MPC controller design
Step 4: closed-loop validation
References
9 Synthesis of operable process intensification systems
9.1 Problem statement
9.2 A systematic framework for synthesis of operable process intensification systems
9.3 Steady-state synthesis with flexibility and safety considerations
9.3.1 GMF synthesis for flexible process systems
9.3.2 Integrated GMF synthesis with risk analysis
9.4 Motivating example: heat exchanger network synthesis
9.4.1 Process description
9.4.2 Steady-state synthesis with flexibility and safety considerations
9.4.3 Dynamic modeling and mp-MPC controller design
9.4.4 Simultaneous design and control
References
Part 3 Case studies
10 Envelope of design solutions for intensified reaction/separation systems
10.1 The Feinberg Decomposition
10.2 Case study: olefin metathesis
10.2.1 Process description
10.2.2 Design boundaries via Feinberg Decomposition
10.2.3 Design boundaries via Generalized Modular Representation Framework
10.2.3.1 Design 1
10.2.3.2 Design 2
10.2.3.3 Design 3
10.2.3.4 Remarks
References
11 Process intensification synthesis of extractive separation systems with material selection
11.1 Problem statement
11.2 Case study: ethanol-water separation
11.2.1 Case Study 1: ethylene glycol vs. methanol
11.2.1.1 GMF synthesis
11.2.1.2 GMF/OC synthesis
11.2.1.3 Equipment-based process simulation
11.2.2 Case Study 2: ethylene glycol vs. [EMIM][OAc]
References
12 Process intensification synthesis of dividing wall column systems
12.1 Case study: methyl methacrylate purification
12.1.1 Process description
12.1.2 Synthesis objective
12.2 Base case design and simulation analysis
12.3 Process intensification synthesis via GMF
12.3.1 GMF representation for base case design
12.3.2 GMF synthesis optimization
12.3.2.1 Retrofit design
12.3.2.2 Grassroots design
12.3.2.3 Two-column design
12.3.3 Steady-state validation and Aspen simulation
References
13 Operability and control analysis in modular process intensification systems
13.1 Loss of degrees of freedom
13.1.1 DOF analysis
13.1.2 A numerical case study: olefin metathesis
13.2 Role of process constraints
13.2.1 Temperature and pressure bounds
13.2.2 Flowrate bounds
13.2.3 Process specifications
13.3 Numbering up vs. scaling up
13.4 Remarks
References
14 A framework for synthesis of operable and intensified reactive separation systems
14.1 Process description
14.2 Synthesis of intensified and operable MTBE production systems
14.2.1 Step 1: process intensification synthesis representation
14.2.2 Step 2: superstructure optimization
14.2.3 Step 3: integrated design with operability and safety
14.2.3.1 Risk analysis for inherent safety performance evaluation
14.2.3.2 Flexibility analysis for operation under uncertainty
14.2.4 Step 4: optimal and operable intensified steady-state designs
Operable Design 1
Operable Design 2
14.2.5 Step 5: simultaneous design and control optimization
14.2.5.1 Dynamic high fidelity modeling and simulation
14.2.5.2 Open-loop analysis with flexibility and safety considerations
Risk analysis for inherent safety assessment
Flexibility analysis for operation under uncertainty
14.2.5.3 Explicit/multi-parametric model predictive control
(i) Model approximation
Operable Design 1
Operable Design 2
(ii) Explicit model predictive controller design
(iii) Closed-loop validation of mp-MPC control
14.2.5.4 Simultaneous design and control optimization
14.2.6 Step 6: verifiable and operable process intensification designs
References
15 A software prototype for synthesis of operable process intensification systems
15.1 The SYNOPSIS software prototype
15.1.1 User interface
15.1.2 Process intensification synthesis suite
15.1.3 Process intensification model library
15.1.4 Process operability and control suite
15.2 Case study: pentene metathesis reaction
15.2.1 Problem statement
15.2.2 Software prototype home page
15.2.3 Process intensification synthesis suite
15.2.4 Process intensification model library
15.2.5 Process operability and control suite
References
A Process modeling, synthesis, and control of reactive distillation systems
A.1 Modeling of reactive distillation systems
A.2 Short-cut design of reactive distillation
A.3 Synthesis design of reactive distillation
A.4 Process control of reactive distillation
A.5 Software tools for modeling, simulation, and design of reactive distillation
References
B Driving force constraints and physical and/or chemical equilibrium conditions
B.1 Pure separation systems
B.2 Reactive separation systems
B.3 Pure reaction systems
C Reactive distillation dynamic modeling
C.1 Process structure
C.2 Tray modeling
C.3 Reboiler and condenser modeling
C.4 Physical properties
C.5 Initial conditions
C.6 Equipment cost correlations
References
D Nonlinear optimization formulation of the Feinberg Decomposition approach
References
E Degrees of freedom analysis and controller design in modular process intensification systems
E.1 Degrees of freedom analysis
E.1.1 High fidelity dynamic modeling
E.1.2 Steady-state modeling
E.1.3 Superstructure-based synthesis modeling
E.2 Controller tuning for olefin metathesis case study
E.2.1 Open-loop response to step changes in manipulated variables
E.2.2 Open-loop response to step changes in feed flowrate
E.2.3 PI controller design for RD and reactor-distillation-recycle
E.2.4 PI controller design for modular RD units
E.2.5 mp-MPC controller design for RD
References
F MTBE reactive distillation model validation and dynamic analysis
F.1 MTBE reactive distillation model validation with commercial Aspen simulator
F.2 Steady-state and dynamic analyses on the selection of manipulated variable for MTBE reactive distillation
References
Index
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