Advances in Synthesis Gas: Methods, Technologies and Applications, Volume 4: Syngas Process Modelling and Apparatus Simulation

Advances in Synthesis Gas:Methods, Technologies and Applications
Contributors
Copyright
Preface
Reviewer Acknowledgments
About the Editors
Thermodynamic and phase equilibrium models of syngas generation through gasification
Introduction
Equilibrium modeling of gasification
Stoichiometric equilibrium model
Combined phase and chemical equilibrium
Step-I
Step II
Step III
Step IV-energy balance
Solution of stoichiometric equilibrium model
Non-stoichiometric equilibrium model
Solution of the non-stoichiometric model
Lagrange multipliers method
Morley method
Gordon and McBride method
RAND algorithm
Aspen plus simulation of equilibrium models
Declaration of components and property methods
Drying
Devolatilisation
Gasification
Separation
Literatures in Aspen plus equilibrium modeling
Application of equilibrium models
Application of stoichiometric equilibrium modeling
Application of non-stoichiometric equilibrium modeling
Limitations of equilibrium models
Modification of equilibrium models to address deviations
Tar and char inclusion
Adjustments on equilibrium constants
Mole fraction of methane as input
Molar distribution of products
Heat loss as input
Bi-equilibrium models
Equi-Sep-Ch
Equi-Sep-VM1
Equi-Sep-VM2
Comparison between Equi-Sing and Equi-Sep models
Strategy for choice of models
Conclusion
Process modeling and apparatus simulation for syngas production
Introduction
Prereforming for the syngas production
Thermodynamic equilibrium
Kinetic models
Reactors modeling
Process description and mathematical model
Solid wastes gasification and pyrolysis modeling-GasDS package
Biomass characterization and multistep kinetic model
Multiscale modeling
Reformer CFD modeling
Simulation methods for syngas production
Bireforming case study
Steam-methane reforming digital twin
Conclusion
Computational fluid dynamics simulation of natural gas reformers
Introduction
Steam methane reforming
Reaction kinetic of SMR
CFD simulation of SMR
Partial oxidation reforming
CFD simulation of POR
Dry methane reforming
Reaction kinetic of DMR
CFD simulation of DMR
Conclusion and future outlook
Reforming process design and modeling: Steam, dry, and autothermal reforming
Introduction
Reaction kinetic
Steam reforming
Dry reforming
Autothermal reforming
Process design
Steam reforming
Dry reforming
Authothermal reforming
Process modeling
Equilibrium approach
Kinetic approach
Numerical solution
Computational fluid dynamics simulation
Process optimization
Steady-state optimization
Dynamic optimization
Conclusion and future outlook
Microreactor modeling and simulation for syngas production
Introduction
Microreactor
Modeling and simulation of microreactors
Two-dimensional models
Three-dimensional models
Conclusion
Simulation of biomass to syngas: Pyrolysis and gasification processes
Introduction
Problem domain identification of gasification process
Equivalence ratio
Gasification performance parameters
Gas LHV
Cold gas efficiency (CGE)
Hot gas efficiency (HGE)
Gas yield (Ygas)
Process simulation
Simulation properties
Components
Thermodynamic method
Equilibrium model
Kinetic model
Computational fluid dynamics model
Simulation results of the gasification process
Equilibrium model
HDPE-wood blends equilibrium simulations
Kinetic model
HDPE-wood blends equilibrium simulations
Gasification optimization
Simulation results of the pyrolysis process
Pyrolysis optimization
Conclusion
Acknowledgments
Modeling and simulation of membrane-assisted separation of carbon dioxide and hydrogen from syngas
Introduction
Polymeric membrane separation
Combined gasification and multistage membrane separation
Modeling and simulation of the two-stage separation
Modeling and economic analysis
Energy balance
Hydrogen purification and carbon capture in precombustion process
Carbon capture in the postcombustion process
CFD modeling of the membrane module
Numerical model
Conclusion and future outlook
Simulation of cyclone separator for particulate removal from syngas
Introduction
Syngas impurities
Particle impurity
Tar compound impurity
Ammonia (NH3) impurity
H2S and COS impurity
Mercury impurity
Technologies for particles removal from syngas
Cyclone separator
Grade efficiency for cyclone separator
Pressure loss in cyclone
Simulation technology
Aspen plus modeling
Computational fluid dynamics
CFD modeling
DEM modeling
CFD-DEM coupling
Mathematical model
Numerical model
Comparative analysis using simulation software and applications
Recent advances and application
Conclusion and future outlook
Tar and inorganic contaminant removal from syngas: Modeling and simulation
Introduction
Tar
Tar removal
Tar removal: Physical methods
Tar removal: Thermochemical methods
Tar removal and conversion: Modeling and simulation
Sulfur and chlorine contaminants
Hydrogen sulfide and hydrogen chlorine removal
Hydrogen sulfide and hydrogen chlorine removal modeling
Alkali compounds and how to remove them
Alkali removal modeling
Conclusion
Modeling, analysis, and simulation of cryogenic distillation processes for syngas purification: Tray and pack ...
Introduction
Syngas purification
Cryogenic CO2 capture
Cryogenic distillation
Cryogenic external cooling loop
Dynamic cryogenic packed bed
Anti-sublimation (AnSU)
Controlled freezing zone (CFZ)
Stirling cooler system
Advantages of cryogenic CO2 capture technologies
Challenges of cryogenic CO2 capture technologies
Cryogenic distillation modeling
Modeling, simulation, and analysis of the cryogenic distillation column with trays
Influence of column parameters on H2S removal rate
Influence of column parameters on CO2 removal rate
Modeling, simulation, and analysis of the packed beds
Equations for 1D pseudo-homogeneous model of the packed bed
Simulation of the packed bed
Conclusion
Purification of syngas with nanofluid from mathematical modeling viewpoints
Introduction
Hydrogen, synthesis gas (syngas), and separation methods
Hydrogen and its applications
Hydrogen separation methods
Pressure swing absorption
Cryogenic distillation
Membrane separation
Comparison of separation methods
A brief overview on the simulation
Design of syngas production and purification: ASPEN model
Simulation of capturing gas in nanofluid
Dissolution-diffusion model
Flow pattern in membrane modeling
Cross-flow pattern
A model for cross flow
Solution and simulation method
Process operating conditions
Choosing the membrane material
Mathematical model solving method for membrane
Model solving algorithm
Simulation validation
Mathematical modeling of CO2 absorption in nanofluid
Balancing
Shell side
Membrane
Tube side
Parameters for solving differential equations to simulate
Numerical analysis
Model validation
CO2 absorption at various gas flow
Conclusion
Acknowledgment
Modeling, simulation, and optimization of methane production processes
Introduction
Methanation
Catalyst deactivation
Commercial processes examples
Modeling methods
Process optimization
Anaerobic digestion
Environmental requirements
Examples of commercial process
Modeling methods
Feedstock supply and production scale
Influence of operational variables in methane production
Modeling anaerobic reactors
Optimization
Conclusion
Ammonia production from syngas: Plant design and simulation
Introduction
Ammonia production processes
First-generation technology
Second-generation technology
Coal-based ammonia
Ammonia synthesis catalyst
Fossil-fuel-based ammonia synthesis
Process design
Reactor selection
Ammonia plant simulation
Equilibrium-based models
Kinetic-based model
Process flowsheeting
Process optimization
Conclusion and future outlook
Alcohols synthesis using syngas: Plant design and simulation
Introduction
Methanol and higher alcohols production
Commercial methanol plants
High-pressure method (BASF process)
Low-pressure method
ICI process
Lurgi process
Ethanol production methods
Production route of ethanol and higher alcohols from syngas
Reactor modeling
Kinetic models
Kinetic models for methanol synthesis
Kinetic models for higher alcohols synthesis
Intraparticle diffusion model
Catalyst deactivation model
Mass and energy conservation laws
Fixed-bed reactor
Membrane reactor
Thermally coupled reactor
Radial-flow spherical packed-bed reactor
Axial-flow spherical packed-bed reactor
Radial-flow packed-bed reactor
Fluidized-bed reactor
Slurry bubble column reactor
Modeling of methanol synthesis loop
Mixer
Heat exchanger
Methanol synthesis reactor
Separator
Simulation of the methanol plant using simulators
Conclusion
Modeling, simulation, and optimization of combined heat and power generation from produced syngas
Introduction
CHP systems based on biomass
CHP using fuel cells
Hybrid CHP systems
Optimization of CHP solutions
Conclusion
Study of syngas-powered fuel cell, simulation, modeling, and optimization
Introduction
SOFC operation
Fuel options for SOFC
SOFC geometry
Investigation based on the type of reformer
SOFC modeling
Physical models
SOFCs models at cell level
Comparison of SOFC at cell level
SOFC models at the stack level
SOFC models at system level
Gray-box model
Basic modeling
Conducting experiments
Model calibration
Model validation
Black-box model
Artificial neural netwroks
Radial basis function neural networks
Least squares support vector machine
SOFC optimization
Decision variables
Objective function
Constraints
Methods for optimization
Conclusion
Index