Chemical engineering process simulation /

Chemical Engineering Process Simulation, Second Edition guides users through chemical processes and unit operations using the main simulation software used in the industrial sector. The book helps predict the characteristics of a process using mathematical models and computer-aided process simulatio...

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Bibliographic Details
Corporate Author:	ScienceDirect (Online service)
Other Authors:	Foo, Dominic C. Y. (Editor)
Format:	eBook
Language:	English
Published:	Amsterdam ; Cambridge, MA : Elsevier, [2023]
Edition:	Second edition.
Subjects:	Chemical processes > Computer simulation. Procédés chimiques > Simulation par ordinateur. Chemical processes > Computer simulation Processos químics. Simulació per ordinador. Electronic books. Llibres electrònics.
Online Access:	Connect to the full text of this electronic book

Table of Contents:

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∗.