Gasification Processes E-Book

• Herausgeber: Wiley-VCH
• Kategorie: Fachliteratur
• Sprache: Englisch

Seitenzahl: 562

Veröffentlichungsjahr: 2014

Beschreibung

Bridging the gap between the well-known technological description of gasification and the underlying theoretical understanding, this book covers the latest numerical and semi-empirical models describing interphase phenomena in high-temperature conversion processes. Consequently, it focuses on the description of gas-particle reaction systems by state-of-the-art computational models in an integrated, unified form. Special attention is paid to understanding and modeling the interaction between individual coal particles and a surrounding hot gas, including heterogeneous and homogeneous chemical reactions inside the particle on the particle interface and near the interface between the solid and gas phases. While serving the needs of engineers involved in industrial research, development and design in the field of gasification technologies, this book's in-depth coverage makes it equally ideal for young and established researchers in the fields of thermal sciences and chemical engineering with a focus on heterogeneous and homogeneous reactions.

Leseprobe

Table of Contents

Cover

Related Titles

Title Page

Copyright

Preface

References

List of Contributors

Acknowledgments

References

Recommended Reading

References

Coal Gasification: Basic Terminology

References

Chapter 1: Modeling of Gasifiers: Overview of Current Developments

1.1 Numerical Modeling in Engineering

Summary

1.2 CFD-based Modeling of Entrained-Flow Gasifiers

Summary

1.3 Benchmark Tests for CFD Modeling

References

Chapter 2: Gasification of Solids: Past, Present, and Future

2.1 Introduction

2.2 Historical Background

2.3 Types of Gasification Reactors

2.4 Trends in Gasifier Development

2.5 Derived Challenges for Research

References

Chapter 3: Modeling of Moving Particles: Review of Basic Concepts and Models

3.1 Introduction

3.2 Soft-Sphere Model

3.3 Hard-Sphere Model

Nomenclature

References

Chapter 4: CD and Nu Closure Relations for Spherical and Nonspherical Particles

4.1 Literature Review

4.2 Model Description

4.3 Code and Software Validation

4.4 Porous Particles

4.5 Nonspherical Particles

References

Chapter 5: Single Particle Heating and Drying

5.1 Nonporous Spherical Particle Heating in a Stream of Hot Air

5.2 Heating of a Porous Particle

5.3 Spherical Particle Drying in a Stream of Hot Air

5.4 Conclusions

References

Chapter 6: Unsteady Char Gasification/Combustion

6.1 Introduction

6.2 Modeling Approach

6.3 Numerics and Code Validation

6.4 Advice for Beginners

6.5 Analytical Models

Nomenclature

References

Chapter 7: Interface Tracking During Char Particle Gasification

7.1 Interface and Porosity Tracking for a Moving Char Particle

7.2 3D Interface Tracking for a Porous Char Particle in the Kinetic Regime

7.3 Conclusions

References

Chapter 8: Pseudo-Steady-State Approach for Carbon Particle Combustion/Gasification

8.1 Particle-Resolved CFD Simulations: Spherical Particles

8.2 Particle-Resolved CFD Simulations: Nonspherical Particles

8.3 Conclusions

8.4 Setup of Heterogeneous Reactions in ANSYS FLUENT

Nomenclature

References

Chapter 9: Pore-Resolved Simulation of Char Particle Combustion/Gasification

9.1 Introduction

9.2 Model Assumptions and Chemistry

9.3 Small Porous Particle: 90 μm

9.4 Large Porous Particle: 2 mm

9.5 3D Simulations under Gasification Conditions

9.6 Conclusions

Nomenclature

References

Chapter 10: Subgrid Models for Particle Devolatilization-Combustion-Gasification

10.1 Subgrid Model for the Devolatilization/Combustion of a Moving Coal Particle

10.2 Novel Intrinsic Submodel for Gasification of a Moving Char Particle

Nomenclature

References

Chapter 11: New Frontiers and Challenges in Gasification Technologies

11.1 Introduction

11.2 Trends in Gasifier Design

11.3 Future Gasifier Simulations

References

Index

End User License Agreement

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Guide

Cover

Table of Contents

Preface

Coal Gasification: Basic Terminology

Chapter 1: Modeling of Gasifiers: Overview of Current Developments

List of Illustrations

Figure1

Figure 1.1

Figure 1.2

Figure 1.3

Figure 1.4

Figure 1.5

Figure 1.6

Figure 1.7

Figure 1.8

Figure 1.9

Figure 1.10

Figure 2.1

Figure 2.2

Figure 2.3

Figure 2.4

Figure 2.5

Figure 3.1

Figure 3.2

Figure 3.3

Figure 3.4

Figure 3.5

Figure 3.6

Figure 3.7

Figure 3.8

Figure 3.9

Figure 3.10

Figure 3.11

Figure 3.12

Figure 3.13

Figure 3.14

Figure 3.15

Figure 3.16

Figure 3.17

Figure 3.18

Figure 3.19

Figure 4.1

Figure 4.2

Figure 4.3

Figure 4.4

Figure 4.5

Figure 4.6

Figure 4.7

Figure 4.8

Figure 4.9

Figure 4.10

Figure 4.11

Figure 4.12

Figure 4.13

Figure 4.14

Figure 4.15

Figure 4.16

Figure 4.17

Figure 4.18

Figure 4.19

Figure 4.20

Figure 4.21

Figure 4.22

Figure 4.23

Figure 4.24

Figure 4.25

Figure 5.1

Figure 5.2

Figure 5.3

Figure 5.4

Figure 5.5

Figure 5.6

Figure 5.7

Figure 5.8

Figure 5.9

Figure 5.10

Figure 5.11

Figure 5.12

Figure 5.13

Figure 5.14

Figure 5.15

Figure 5.16

Figure 5.17

Figure 5.18

Figure 5.19

Figure 5.20

Figure 5.21

Figure 5.22

Figure 5.23

Figure 5.24

Figure 6.1

Figure 6.2

Figure 6.3

Figure 6.4

Figure 6.5

Figure 6.6

Figure 6.7

Figure 6.8

Figure 6.9

Figure 6.10

Figure 6.11

Figure 6.12

Figure 6.13

Figure 6.14

Figure 7.1

Figure 7.2

Figure 7.3

Figure 7.4

Figure 7.5

Figure 7.8

Figure 7.9

Figure 7.6

Figure 7.7

Figure 7.10

Figure 7.11

Figure 7.12

Figure 7.13

Figure 7.14

Figure 7.17

Figure 7.16

Figure 7.15

Figure 7.18

Figure 7.19

Figure 7.20

Figure 7.21

Figure 7.22

Figure 7.23

Figure 7.24

Figure 7.25

Figure 7.26

Figure 7.27

Figure 7.28

Figure 8.1

Figure 8.2

Figure 8.3

Figure 8.4

Figure 8.5

Figure 8.6

Figure 8.7

Figure 8.8

Figure 8.9

Figure 8.10

Figure 8.11

Figure 8.12

Figure 8.13

Figure 8.14

Figure 8.15

Figure 8.16

Figure 8.17

Figure 8.18

Figure 8.19

Figure 8.20

Figure 8.21

Figure 8.22

Figure 8.23

Figure 8.24

Figure 9.1

Figure 9.2

Figure 9.3

Figure 9.4

Figure 9.5

Figure 9.6

Figure 9.7

Figure 9.8

Figure 9.9

Figure 9.10

Figure 9.11

Figure 9.12

Figure 9.13

Figure 9.14

Figure 9.15

Figure 10.1

Figure 10.2

Figure 10.3

Figure 10.4

Figure 10.5

Figure 10.6

Figure 10.7

Figure 10.8

Figure 10.9

Figure 10.10

Figure 10.11

Figure 10.12

Figure 10.13

Figure 10.14

Figure 10.15

Figure 10.16

Figure 10.17

Figure 11.1

Figure 11.2

Figure 11.3

Figure 11.4

List of Tables

Table 1.1

Table 1.2

Table 1.3

Table 1.4

Table 1.5

Table 1.6

Table 1.7

Table 1.9

Table 1.8

Table 2.1

Table 3.1

Table 4.1

Table 4.2

Table 4.3

Table 4.4

Table 4.5

Table 4.6

Table 4.7

Table 5.1

Table 5.2

Table 5.3

Table 5.4

Table 6.1

Table 6.2

Table 6.3

Table 7.1

Table 7.2

Table 8.1

Table 8.2

Table 8.3

Table 8.4

Table 8.5

Table 9.1

Table 9.2

Table 9.3

Table 9.4

Table 9.5

Table 9.6

Table 9.7

Table 10.1

Table 10.2

Table 10.3

Table 10.4

Table 11.1

Table 11.2

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Edited by Petr A. Nikrityuk and Bernd Meyer

Gasification Processes

Modeling and Simulation

The Editors

Prof. Dr. Petr A. Nikrityuk

University of Alberta

Department of Chemical and Materials Engineering

9107-116 Street

Edmonton, Alberta, T6G 2V4

Canada

Prof. Dr. Bernd Meyer

TU Bergakademie Freiberg

Department of Energy Process Engineering and Chemical Engineering

Fuchsmühlenweg 9

09599 Freiberg

Germany

All books published by Wiley-VCH are carefully produced. Nevertheless, authors, editors, and publisher do not warrant the information contained in these books, including this book, to be free of errors. Readers are advised to keep in mind that statements, data, illustrations, procedural details or other items may inadvertently be inaccurate.

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Cover Design Adam-Design, Weinheim, Germany

Preface

… in the field of coal science one can hardly distinguish between fundamental investigations, applied research and even process development.

K.H. van Heek [1]

This monograph aims to bridge coal gasification1 technology and computer-based modeling utilizing recent advances in computational fluid dynamics (CFD) including the methodology on numerical heat and mass transfer theories. Latest developments on coal gasification technologies around the world (e.g., China, USA, India, South Africa, Japan, Canada etc.) have demonstrated that coal-derived synthesis gas (syn-gas) utilisation for chemicals and electricity have become an indispensable part in the national energy security policies of that industrially developed countries. Because of the large reserves of coal on Earth, the importance of coal gasification will continue to increase in the future. The basic feedstock used in gasification technologies is crushed and possibly dried raw coal, which is fed into a reactor chamber, the so-called gasifier.

On order to realize sustainable development of new generations of gasifiers with which it is possible to reduce their production and operation costs, it is imperative to use the so-called computer-aided design (CAD) and optimization. In this view, the bottleneck of such virtual design is a mathematical and numerical model describing physical and chemical processes inside a reactor–gasifier. Especially, simple models producing results close to reality are of great interest for the industry. However, it is impossible to develop simple models without understanding the basic fundamental processes characterizing high-temperature conversion in the gasifiers. This book is an effort to explore these fundamentals using the so-called direct or fully resolved numerical simulations of different physical processes related to interphase phenomena during the high-temperature conversion of coal and biomass particles under gasification conditions.

In the design of novel gasifiers operating with solid carbonaceous fuels (particles),the important issue is the adequate prediction of the basic characteristics of such devices. Because of the complexity of the physical and chemical processes inside gasifiers, where high temperatures and pressures prevail, experimental studies are not always capable of characterizing the basic features of all related phenomena. One way to understand, predict, and optimize the complex processes in a gasifier is to use the CFD platform, which is based on the numerical solution of mass, momentum, energy, and chemical species conservation equations.

However, the direct modeling of a gasifier resolving all the different scales, ranging from several meters for the whole reactor down to several micrometers for the coal particles, is impossible because of the lack of computing time to solve the system of equations. Therefore, the CFD modeling of a gasifier requires a multiscale approach in which the physics of the small scales is represented by submodels. In particular, typical submodels in a gasifier simulation calculate the small-scale turbulence, the chemistry–turbulence interaction, and the processes of drying, pyrolysis, and gasification/combustion of the particles. It should be noted that in spite of significant progress in the development of macroscale models for particulate flows and their numerical implementation in many commercial codes (ANSYS-Fluent, ANSYS-CFX) and open-source codes, the submodels which are used in the macroscale simulations, correspond to the models developed for coal combustion modeling in the early 1980s. Therefore, CFD-based models have become well-established tools for the understanding and optimization of fluid-particle flows in gasifiers.

It is rather surprising that, in spite of the subject's importance in the fields of chemical engineering and energy and material conversion, relatively few monographs are available on up-to-date numerical and semiempirical models describing interphase phenomena in high-temperature conversion processes such as gasification. The literature on comprehensive modeling of gasification is concentrated in conference papers or articles in scientific journals only. This book is an attempt to close the gap between the technological progress of gasification, which is well documented in the literature (e.g., see the monograph by Ch. Higman and M. van der Burg Gasification, or by J. Rezaiyan and N.P. Cheremisinoff ‘Gasification Technologies’), and the theoretical understanding and modeling of the interaction between chemically reacting solid particles and the surrounding gas, as applied to coal gasification technology.

This book is designed as a specialized textbook for master's or PhD courses in fields such as thermal sciences and chemical engineering where particulate flows with heterogeneous and homogeneous chemical reactions play a fundamental role. The purpose of this book is to present a description of a gas–particle reaction system taking into account the progress in the development of new models and numerical simulations for single-particle systems in an integrated, unified form. Special attention is paid to understanding and modeling the interaction between individual coal/char particles and a surrounding hot gas (300 K < T < 3000 K) including heterogeneous and homogeneous chemical reactions on the particle interface and near the interface between the solid and gas phases. This book, we hope, will also serve the needs of engineers from industrially oriented R&D engaged in research, development, and design for technologies where chemically reacting particles play a significant role.

This book is divided into 11 major chapters, beginning with an analysis of recent developments in computer-based simulations and mathematical multiscale models for the calculation of high-temperature conversion processes applied to gasification modeling including their validation. Next, Chapter 2 introduces a short review of the state of the art in the gasification of coal, including a brief history and analysis of existing large-scale facilities. Chapter 3 contains a review of the basic approaches used for modeling moving particles, including the treatment of particle–particle collisions and coupling with gas flows. Recommendations and illustrations for the application of these models are given at the end of the chapter. Chapter 4 is devoted to the closure relations for the drag force coefficient and the Nusselt number used for the spherical and nonspherical particles, including the influence of particle porosity on these parameters.

The main new ideas, including the cornerstone of the book, are found in Chapters 5–11. Chapter 5 presents subgrid models and particle-resolved numerical simulations of coal particle heating and drying including validation against experimental data published in the literature. The new models are illustrated by comparing the results with predictions obtained using standard approaches, discussing the advantages and disadvantages of the latter with respect to the new models.

Chapters 6 and 7 describe numerical models based on a fixed-grid method and the results of one-dimensional and two-dimensional numerical simulations devoted to analyzing the unsteady behavior of char particles undergoing gasification and combustion. Two models are illustrated: the so-called surface-based or shrinking-core model, and the so-called shrinking reacted-core model. The shrinking-core model is based on the assumption that the heterogeneous reactions occur at the particle surface. Thus, the carbon consumption is only related to the outer surface of the particle, whose diameter decreases over time. The shrinking reacted-core model takes into account intraparticle diffusion and intrinsic reactivity. In this case, the carbon consumption is related not only to the particle diameter but also to the particle porosity and specific surface. The particle interface tracking is treated using a sharp-interface method coupled with a fixed-grid method.

Chapter 8 describes the pseudo-steady-state (PSS) approach for char particle combustion and gasification. In this chapter, a comprehensive CFD-based model is used for resolving the issues of bulk flow and boundary layer around the particle. The model comprises the Navier–Stokes equations coupled with the energy and species conservation equations. At the surface of the particle, the balance of mass, energy, and species concentration is applied to formulate the boundary conditions on the particle surface, including the effect of Stefan flow and heat loss due to radiation at the surface of the particle. The model is validated against experimental data published in the literature for the laminar and turbulent flow regimes. Finally, the influence of the Reynolds number, the ambient mass fraction, and the ambient temperature on the behavior of char particle is discussed.

Chapter 9 includes descriptions of numerical simulations of the carbon conversion occurring in pores inside the particle. The PSS approach is used to explore the physics of the process. Numerous 2D and few 3D simulations are illustrated and analyzed.

Chapter 10 presents advanced subgrid models for predicting the pyrolysis, gasification, and combustion of a single coal particle moving in a hot environment. Apart from the model formulation and description, this chapter includes numerical examples and validations illustrating new points and showing the robustness of the models.

Finally, Chapter 11 discusses the needs and challenges in modeling the next-generation gasifiers which are under development or in the test phase. Finally, it should be noted that, as mathematical terms are used to introduce the models and solutions of conservation equations, the reader is expected to have a basic background in CFD (undergraduate course), including heat and mass transfer theory as applied to combustion engineering.

It should also be noted that some chapters include practical recommendations for students and engineers to speed up simulations or to increase the accuracy of the models.

Petr A. Nikrityuk

University of Alberta

Canada

Bernd Meyer

TU Bergakademie Freiberg

Germany

1

Gasification

defines a process that uses at least heat, steam, and carbon-based raw materials under high-temperature conditions to convert these materials directly into the so-called syngas composed primarily of carbon monoxide (CO) and hydrogen (

).

References

1. van Heek, K.H. (2000) Progress of coal science in the 20th century.

Fuel

,

79

, 1–26.

List of Contributors

Frank Dierich

TU Bergakademie Freiberg

Institute of Energy Process Engineering and Chemical Engineering, ZIK Virtuhcon

Fuchsmühlenweg 9

Freiberg

Germany

Thomas Förster

TU Bergakademie Freiberg

Institute of Energy Process Engineering and Chemical Engineering

Fuchsmühlenweg 9

Freiberg

Germany

Aakash Golia

Indian Institute of Technology

Department of Mechanical Engineering

Assam, 781039 Guwahati

India

Martin Gräbner

Air Liquide Forschung und Entwicklung GmbH

FRTC – Frankfurt Research & Technology Center

Gwinnerstrasse 27-33

Frankfurt am Main

Germany

Matthias Kestel

TU Bergakademie Freiberg

Institute of Energy Process Engineering and Chemical Engineering, ZIK Virtuhcon

Fuchsmühlenweg 9

Freiberg

Germany

Alexander Laugwitz

TU Bergakademie Freiberg

Institute of Energy Process Engineering and Chemical Engineering

Fuchsmühlenweg 9

Freiberg

Germany

Bernd Meyer

TU Bergakademie Freiberg

Institute of Energy Process Engineering and Chemical Engineering

Fuchsmühlenweg 9

Freiberg

Germany

Petr A. Nikrityuk

University of Alberta

Department of Chemical and Materials Engineering

9107-116 Street, Edmonton

Alberta, T6G 2V4

Canada

Andreas Richter

TU Bergakademie Freiberg

Institute of Energy Process Engineering and Chemical Engineering, ZIK Virtuhcon

Fuchsmühlenweg 9

Freiberg

Germany

Dmitry Safronov

TU Bergakademie Freiberg

Institute of Energy Process Engineering and Chemical Engineering, ZIK Virtuhcon

Fuchsmühlenweg 9

Freiberg

Germany

Robin Schmidt

TU Bergakademie Freiberg

Institute of Energy Process Engineering and Chemical Engineering, ZIK Virtuhcon

Fuchsmühlenweg 9

Freiberg

Germany

Sebastian Schulze

TU Bergakademie Freiberg

Institute of Energy Process Engineering and Chemical Engineering

Fuchsmühlenweg 9

Freiberg

Germany

Kay Wittig

TU Bergakademie Freiberg

Institute of Energy Process Engineering and Chemical Engineering, ZIK Virtuhcon

Fuchsmühlenweg 9

Freiberg

Germany

Acknowledgments

It is privilege of youth to look farther and to decide quicker and to give its opinion more firmly, however, they should not forget that they are standing on the shoulders of preceding generations

.

K.H. van Heek [1]

This book is based on the basic achievements of the research carried out at the Centre for Innovation Competence (CIC) “Virtuhcon,” Group “Interphase Phenomena,” in the Department of Energy Process Engineering and Chemical Engineering, Technische Universität Bergakademie Freiberg, Germany, and financed by the Saxon Government and the Federal Ministry of Education and Research of Germany. A primary goal of the research program was devoted to the model development, simulation, and visualization of high-temperature conversion processes applied to gasification technologies.

We, the editors, would like to thank Prof. M. Stelter, Prof. Ch. Prof. Brücker, Prof. D. Trimis, Prof. P. Scheller, Prof. B. Jung, Prof. M. Eiermann, and Prof. H.J. Seifert for their engagement and primary role in the initialization of CIC Virtuhcon. We also gratefully acknowledge the contribution made to the establishment of CIC Virtuhcon by Prof. W. Heschel, Dr. S. Krzack, Dr. R. Pardemann, Dr. M. Gräbner, Dr. R. Gutte, and Dr. Annett Wulkow.

We also acknowledge Dr. Bernd Schumann from Project Management Jülich, Research Centre Jülich GmbH, Germany, for his valuable comments and suggestions during the project phase.

We would also like to make a special mention of Prof. A. Gupta of Maryland University, USA, and Prof. R. Gupta of the University of Alberta, Canada, for their help related to productive cooperation in the field of “microscale” modeling of gasification.

Finally, we would like to thank all the authors for their contributions and the audience for their discussion and comments.

We hope that any colleagues whose work has not been mentioned in this acknowledgment will forgive us, since such omissions are unintentional.

References

1. van Heek, K.H. (2000) Progress of coal science in the 20th century.

Fuel

,

79

, 1–26.

Recommended Reading

The main goal of this book is to introduce closure submodels for the description of a single coal particle's behavior in an entrained-flow gasifier. These submodels were developed on the basis of the so-called particle-resolved simulations carried out using computational fluid dynamics (CFD) coupled with heat and chemical species conservation equations. It should be emphasized that no attempt has been made in this book to explore all details of the numerical algorithms used in CFD-based simulations. The reader who requires a more comprehensive explanation of numerical algorithms used in CFD and a theory of chemically reacting flow is referred to other textbooks for a complete understanding of numerical algorithms applied in this monograph. The following list of books provides a source of references for a more detail study of the various areas related to computational heat and mass transfer applied to high-temperature conversion of coal into syngas. The books are grouped by three subject areas: theory of gasification, computational fluid dynamics, and chemical engineering.

Theory of gasification

– Overview of gasification technologies and phenomenological description of gasification [1, 2].

– Gasification theory for engineers [3].

– Fundamentals of coal combustion and gasification [4].

– Modeling approaches to gasification [5].

– Physics and models of gas–solid reactions [6, 7].

– Fundamentals of chemically reacting flows [8].

Computational Fluid Dynamics and transport phenomena

– Numerical approaches to heat and fluid flow for beginners [9].

– Computational methods for fluid dynamics [10, 11].

– Phenomenological and semianalytical description of transport phenomena [12, 13].

– Computational gas–solid flows and reacting systems [14].

– The fluid dynamics, heat and mass transfer of single bubbles, drops and particles [15].

Chemical engineering

– Chemical reactor modeling [16].

– Fluid dynamics in chemical engineering [17, 18].

– Particle technologies in chemical engineering [19].

Finally, it should be noted that none of these books fully discusses the particle-resolved simulations of coal gasification or computational submodels for high-temperature coal conversion. As a result, this book can be considered as additional material for the theory of gasification on a particulate level including computational heat and mass transfer theory applied to chemically reacting particles moving in a hot ambient gas.

References

1. Higman, C. and van der Burgt, M. (2008)

Gasification

, 2nd edn, Elsevier GPP, Gulf Professional Publishing, Amsterdam U.A.

2. Krzack, S. (2008)

Die Veredlung und Umwandlung von Kohle, Technologien und Projekte 1970 bis 2000 in Deutschland, chapter Grundlagen der Vergasung

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Coal Gasification: Basic Terminology

…oil and gas last for decades, but coal for centuries

K.H. van Heek [7]

Before a reader jumps into reading this book, it is advantageous to introduce a short overview of the basic terminology and phenomena characterizing the gasification of solid carbonaceous materials. Finally, the interested readers may look up details in [1–3].

Strictly speaking in the literature there are several definitions of the word “gasification.” De Souza-Santos in his book [3] gives a general definition of gasification as transformation of solid fuel components into gases under high-temperature conditions. According to Rezaiyan and Cheremisinoff's book Rezaiyan, the gasification characterizes a process for converting carbonaceous materials into a combustible or synthetic gas (e.g., ). Finally, a short and very precise definition of gasification is given by Higman and van der Burgt Higman2008:In its widest sense, the term gasification covers the conversion of any carbonaceous fuel to a gaseous product with a usable heating value. It can be seen that this short and very valuable definition of gasification excludes combustion because the product gas of combustion does not have “residual heating value.”