Chemical Engineering Process Simulation

Front Cover
Chemical Engineering Process Simulation
Chemical Engineering Process Simulation
Copyright
Contents
Contributors
Acknowledgments
How to use this book
I -
Basics of process simulation
1 - Introduction to process simulation∗
1.1 Process design and simulation
1.2 Historical perspective for process simulation
1.3 Basic architectures for commercial software
1.4 Basic algorithms for process simulation
1.4.1 Sequential modular approach
1.4.2 Equation-oriented approach
1.5 Degrees of freedom analysis
1.6 Incorporation of process synthesis model and sequential modular approach
1.6.1 Ten good habits for process simulation
Exercises
References
Further reading
2 - Registration of new components∗
2.1 Registration of hypothetical components
2.1.1 Hypothetical component registration with Aspen HYSYS
2.1.2 Hypothetical component registration with PRO/II
2.2 Registration of crude oil
Exercise
References
3 - Physical property estimation and phase behavior for process simulation∗
3.1 Chemical engineering processes
3.1.1 Inlet separator
3.1.2 Heat exchanger
3.1.3 Gas compressor
3.2 Thermodynamic processes
3.2.1 Characteristic thermodynamic relationships (Smith et al.)
3.2.1.1 Internal energy (U)
3.2.1.2 Enthalpy (H)
3.2.1.3 Entropy (S)
3.2.1.4 Gibbs free energy (G)
3.2.1.5 Helmholtz free energy (A)
3.2.2 Maxwell relationships
3.3 Equations of state
3.3.1 The ideal gas law (c.1834)
3.3.2 Corrections to the ideal gas law (cubic equations of state)
3.3.2.1 Van der Waals
3.3.2.2 Redlich–Kwong
3.3.2.3 Peng–Robinson
3.3.2.4 Reducing the “attractive force”
3.3.2.5 Increasing the “attractive force”
3.4 Liquid volumes (Walas, 1985)
3.5 Viscosity and other properties
3.6 Phase equilibria
3.6.1 Vapor phase correction
3.6.2 Liquid phase corrections
3.6.3 Bringing it all together
3.7 Flash calculations (Smith and Van Ness, 1975)
3.7.1 “MESH” equations
3.7.1.1 Material balance
3.7.1.2 Equilibrium
3.7.1.3 Summation
3.7.1.4 Heat balance
3.7.2 Bubble point flash
3.7.2.1 Methodology
3.7.3 Dew point flash
3.7.4 Two-phase pressure–temperature flash
3.7.5 Other flash routines
3.8 Phase diagrams
3.8.1 Pressure–temperature diagrams of pure components and mixtures
3.8.2 Retrograde behavior
3.9 Conclusions
Exercises
References
4 - Simulation of recycle streams∗
4.1 Types of recycle streams
4.2 Tips in handling recycle streams
4.2.1 Analyze the flowsheet
4.2.2 Provide estimates for recycle streams
4.2.3 Simplify the flowsheet
4.2.4 Avoid overspecifying mass balance
4.2.5 Check for trapped material
4.2.6 Increase number of iterations
4.3 Recycle convergence and acceleration techniques
Exercises
References
Further reading
II -
UniSim design
5 - Basics of process simulation with UniSim design∗
5.1 Example on n-octane production
5.2 Stage 1: basic simulation setup
5.3 Stage 2: modeling of reactor
5.4 Stage 3: modeling of separation unit
5.5 Stage 4: modeling of recycle system
5.5.1 Material recycle system
5.5.2 Energy recycle system
5.6 Conclusions
Exercises
References
6 - Design and simulation of distillation processes∗
6.1 Fundamentals of distillation calculations
6.2 Distillation column simulation
6.3 Debutanizer example
6.3.1 Setting up the problem
6.3.2 Operating pressure selection
6.3.3 Effect of pressure on relative volatility
6.3.4 Effect of pressure on utility selection
6.4 Preliminary design using short cut distillation
6.5 Rigorous distillation column design
6.6 Conclusions
Exercises
References
7 - Modeling and optimization of separation and heating medium systems for offshore platform∗
7.1 Oil and gas processing facility for offshore platform
7.2 Modeling of oil and gas processing facilities
7.3 Process optimization of heating medium systems
7.4 Heat exchanger design consideration
Exercises
References
III -
Symmetry
8 - Basics of process simulation with Symmetry∗
8.1 Example on n-octane production
8.2 Establishing the thermodynamic model
8.3 Process modeling
8.3.1 Defining reactor inlet feed streams
8.3.2 Modeling of reactor
8.3.3 Modeling of separation units
8.3.4 Modeling of recycle systems
8.4 Conclusions
Exercises
Reference
9 - Process modeling and analysis of a natural gas dehydration process using tri-ethylene glycol (TEG) via Symmetry∗
9.1 Introduction
9.2 Process description
9.3 Process simulation
9.3.1 Thermodynamic model and feed stream specification
9.3.2 Base case simulation
9.4 Dew point evaluation with Case Study tool
9.5 Process improvement with optimizer
9.6 Conclusions
Exercises
References
IV -
SuperPro designer
10 - Basics of batch process simulation with SuperPro Designer∗
10.1 Basic steps for batch process simulation
10.2 Case study on biochemical production
10.3 Basic simulation setup
10.4 Setting for vessel procedure
10.4.1 Spray drying procedure
10.4.2 Process scheduling
10.4.3 Strategies for batch process debottlenecking
10.4.4 Economic evaluation
10.5 Conclusion
10.6 Further reading
Exercise
References
11 - Modeling of citric acid production using SuperPro Designer∗
11.1 Introduction
11.2 Process description
11.2.1 Fermentation section
11.2.2 Isolation section
11.3 Model setup highlights
11.3.1 Material charges
11.3.2 Modeling the fermentation step
11.3.3 Modeling the cleaning operations
11.4 Scheduling setup
11.4.1 Operating in staggered mode
11.4.2 Operating with independent cycling
11.4.3 Calculating the minimum cycle time
11.5 Process simulation results
11.6 Process scheduling and debottlenecking
11.7 Process economics
11.7.1 Capital investment costs
11.7.2 Operating costs
11.7.3 Economic evaluation
11.8 Variability analysis
11.9 Conclusions
Exercises
Exercise 1: Decreasing the cycle time
Exercise 2: Increasing the batch size
Acknowledgments
References
Further reading
12 - Design and optimization of wastewater treatment plant (WWTP) for the poultry industry∗
12.1 Introduction
12.2 Case study: poultry WWTP
12.3 Base case simulation model
12.4 Process optimization
12.5 Conclusion
12.6 Appendix A
12.7 Exercise
References
V -
aspenONE engineering
13 - Basics of process simulation with Aspen HYSYS∗
13.1 Example on n-octane production
Exercise
References
14 - Process simulation and design for acetaldehyde production∗
14.1 Introduction
14.2 Process simulation
14.2.1 Simulation setup
14.2.2 Process flowsheeting
14.2.2.1 Dehydrogenation of ethanol and phase separation
14.2.2.2 Hydrogen recovery
14.2.2.3 Acetaldehyde purification
14.3 Process analysis/potential process enhancement
14.3.1 Energy recovery
14.3.2 Operating temperature of flash separator
14.4 Conclusion
Exercises
References
15 - Dynamic simulation for process control with Aspen HYSYS∗
15.1 Introduction
15.2 Dynamic model overview
15.2.1 Steady-state and dynamic models
15.2.2 Dynamic model usage
15.3 Dynamic modeling concepts2
15.3.1 Hold-up
15.3.1.1 Material hold-up
15.3.1.2 Energy hold-up
15.3.2 Pressure-flow hydraulics
15.3.2.1 Definition of flow conductance
15.3.2.1.1 Direct flow conductance specification
15.3.2.1.2 Valves
15.3.2.1.3 Piping hydraulics
15.3.2.2 Head and energy terms
15.3.3 Dynamic model information requirements
15.3.4 Setting up a dynamic model in Aspen HYSYS
15.3.4.1 Creating a steady-state model
15.3.4.2 Equipment parameter and flowsheet pressure flow configuration
15.3.4.3 Numerical solver configuration
15.4 Constructing a dynamic model in HYSYS (Aspentech Ltd, 2021)
15.4.1 Steady-state process modeling4
15.4.2 Setting up dynamic parameters in the steady-state environment
15.4.2.1 Valve
15.4.2.2 Separator
15.4.2.3 Pump
15.4.2.4 Heat exchanger
15.4.2.4.1 Duty
15.4.2.4.2 Volume
15.4.2.4.3 Pressure-flow hydraulics
15.4.2.5 Pipe
15.4.2.6 Controllers
15.4.2.7 Stream pressure boundaries within the battery limit
15.4.2.8 Integrator settings
15.4.3 Transitioning to dynamics8
15.5 Using a dynamic model for process control tuning
15.5.1 Single loop feedback control overview
15.5.1.1 Definition of feedback control
15.5.1.2 PID control
15.5.2 Setting up the tuning scenario9
15.5.3 Running the case studies
15.5.4 Other tuning strategies
15.5.4.1 Ziegler-Nichols
15.5.4.2 Auto-tune variation (ATV) technique
15.6 Conclusion
Exercises
References
Further reading
16 - Basics of process simulation with Aspen Plus∗
16.1 Example on n-octane production
16.1.1 Stage 1: simulation setup in properties environment
16.1.2 Stage 2: modeling of reactor in Simulation environment
16.1.3 Stage 3: modeling of separator in Simulation environment
16.1.4 Stage 4: modeling of recycling in the Simulation environment
16.1.5 Stage 5: simulation of heat integration scheme
16.2 Summary of the n-octane simulation
References
Further readings
17 - Design and evaluation of alternative processes for the manufacturing of bio-jet fuel (BJF) intermediate∗
17.1 Introduction
17.2 Overview
17.2.1 Components and physical properties
17.2.2 Reaction kinetics of the aldol condensation reaction
17.2.3 Economic evaluation and CO2 emission analysis
17.3 Process development
17.3.1 Scheme 12
17.3.1.1 Steam-stripping
17.3.1.2 Distillation-based furfural separation
17.3.2 Scheme 23
17.3.3 Scheme 34
17.3.4 Aldol condensation process
17.4 Process analysis
17.4.1 Economic evaluation
17.4.2 CO2 emission analysis
17.4.3 Future prospects in BJF production
17.5 Conclusion
Exercise
Appendix
References
18 - Production of diethyl carbonate from direct CO2 conversion∗
18.1 Introduction
18.2 Process overview
18.2.1 Physical properties
18.2.2 Reaction pathway and kinetic expression
18.2.3 Basis for evaluating the process economics and carbon emission
18.2.3.1 Economics
18.2.3.2 Carbon emission
18.3 The direct CO2-to-DEC process
18.3.1 Process development
18.3.2 Optimization
18.4 Techno-economic and CO2 emission analysis
18.4.1 Techno-economic analysis
18.4.2 CO2-emission analysis
18.5 Conclusions
Exercises
Appendix
A.1 Parameters for pure-component properties
A.2 Binary interaction parameters for the NRTL model
A.3 Parameters for Henry's constant equation (temperature in °C)
Supplementary materials
References
19 - Multiplatform optimization on unit operation and process designs∗
19.1 Introduction
19.2 Aspen Plus automation interface
19.3 COM objects in MATLAB
19.4 Aspen Simulation Workbook (ASW)
19.5 Multiplatform optimization
19.5.1 Case study—dichloro-methane solvent recovery system
19.5.2 Sensitivity analysis with automation interface in MATLAB
19.5.3 Multiobjective and multilevel problem under multiplatform optimization with automation interface in MATLAB
19.5.4 Sensitivity analysis with automation interface in excel using ASW
19.6 Conclusion
Exercises
References
20 - Flexible design strategy for process controllability∗
20.1 Introduction
20.2 Flexibility index model
20.3 Aspen Plus RCSTR module case study
20.4 Vertex methods for calculating FI of RCSTR
20.5 Aspen Plus Dynamics for RCSTR controllability verification
20.6 Conclusion
Exercises
References
Index
A
B
C
D
E
F
G
H
I
M
O
P
R
S
T
U
V
W
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