Astrochemical Modeling
Practical Aspects of Microphysics in Numerical Simulations
- 1st Edition - November 23, 2023
- Imprint: Elsevier
- Editors: Stefano Bovino, Tommaso Grassi
- Language: English
- Paperback ISBN:9 7 8 - 0 - 3 2 3 - 9 1 7 4 6 - 9
- eBook ISBN:9 7 8 - 0 - 3 2 3 - 9 7 2 5 7 - 4
Astrochemical Modelling: Practical Aspects of Microphysics in Numerical Simulations is a comprehensive and detailed guide to dealing with the standard problems that students… Read more
Purchase options
Institutional subscription on ScienceDirect
Request a sales quoteAstrochemical Modelling: Practical Aspects of Microphysics in Numerical Simulations is a comprehensive and detailed guide to dealing with the standard problems that students and researchers face when they need to take into account astrochemistry in their models, including building chemical networks, determining the relevant processes, and understanding the theoretical challenges and the numerical limitations. The book provides chapters covering the theoretical background on the predominant areas of astrochemistry, with each chapter following theoretical background with information on existing databases, step-by-step computational examples with solutions to recurrent problems, and an overview of the different processes and their numerical implementation.
Furthermore, a section on case studies provides concrete examples of computational modelling usage for real-world applications and cases where the techniques can be applied is also included.
- Provides theoretical background on topics that is followed by computational examples and tailored tutorials to allow for full understanding and replication of techniques
- Written by theoreticians and authors with direct experience on the computational implementation to provide a realistic and pragmatic approach to common problems
- Details up-to-date information on available databases, tools and benchmarks for practical usage, forming a good starting point for introductory readers and a reference for actual implementation for more advanced researchers
Research scientists, professionals, academics, graduate students and undergraduates in astrochemistry, computational astrophysics, astronomy, and quantum chemistry, undergraduates and graduate students working on the interdisciplinary field of astrochemistry and astrobiology, and advanced researchers who want to develop computational models to study astronomical regions, Researchers and professionals in planetary atmospheres, chemistry, and experimental physics
- Cover image
- Title page
- Table of Contents
- Copyright
- Dedication
- Contributors
- Foreword
- Preface
- Part 1: Chemistry
- Chapter 1: Gas-phase chemistry
- Abstract
- 1.1. Overview
- 1.2. Sources of basic atomic and molecular data
- 1.3. Atomic and molecular processes
- 1.4. Chemical reactions
- References
- Chapter 2: Designing a gas-phase chemical network
- Abstract
- 2.1. General considerations
- 2.2. Data availability
- 2.3. Basic network implementation
- References
- Chapter 3: Time-dependent integration of chemical networks
- Abstract
- 3.1. Initial-value problems and differential-algebraic equations
- 3.2. Basic numerical methods
- 3.3. Implicit solvers
- 3.4. Higher-order accuracy
- 3.5. Time adaptivity
- 3.6. Advanced techniques for chemical networks
- References
- Chapter 4: Chemistry on interstellar dust grains
- Abstract
- 4.1. A brief overview of the ISM
- 4.2. Physicochemical mechanisms on dust grains
- 4.3. Evolution of dust-grain ice mantles: an overview
- 4.4. Monte Carlo methods and their astrochemical applications
- References
- Part 2: Radiation and cosmic rays
- Chapter 5: Optically thin atomic photochemistry
- Abstract
- 5.1. Radiation – interstellar radiation field
- 5.2. Photoionization – cross-sections and photorates
- 5.3. X-ray irradiated gas
- 5.4. Databases and tools
- References
- Chapter 6: Molecules and radiation shielding
- Abstract
- 6.1. Molecular transitions
- 6.2. Absorption cross-sections and rates
- 6.3. Shielding
- 6.4. Multifrequency caveats
- 6.5. PDR codes
- 6.6. Molecular data
- References
- Chapter 7: The interplay between dust and radiation
- Abstract
- 7.1. Calculating dust cross-sections at UV and optical wavelengths
- 7.2. Dust attenuation of photodestruction rates
- 7.3. Av-dependent photodissociation rates
- 7.4. Challenges of optically thick photochemistry: multifrequency radiative transfer vs Av-dependent rates
- 7.5. Concluding remarks
- References
- Chapter 8: Cosmic rays: physics, chemistry, and computational challenges
- Abstract
- 8.1. Cosmic-ray chemistry and its diagnostic importance
- 8.2. Cosmic-ray induced ultraviolet radiation
- 8.3. Cosmic-ray physics
- 8.4. Energy loss function
- 8.5. Cosmic-ray interaction cross-sections
- References
- Part 3: Dust and gas microphysics
- Chapter 9: Microphysics of cosmic dust
- Abstract
- 9.1. Interstellar dust
- 9.2. Heating and cooling of dust
- 9.3. Dust charging
- 9.4. Dust growth and destruction
- 9.5. Gas freeze-out in cold dense cores
- 9.6. Worked examples
- References
- Chapter 10: Thermodynamics of the atomic and molecular gas
- Abstract
- 10.1. Heating processes
- 10.2. Cooling processes
- 10.3. Solving the heating/cooling balance
- References
- Chapter 11: Advanced gas-microphysics
- Abstract
- 11.1. Multifluid description of a weakly ionized gas
- 11.2. MHD equations
- 11.3. Internal energy of a hydrogen–helium mixture
- 11.4. Reaction equilibria and detailed balance
- References
- Part 4: Beyond thermochemistry
- Chapter 12: Integrating astrochemistry in hydrodynamics
- Abstract
- 12.1. A brief review of hydrodynamics and its numerical solution
- 12.2. Including chemistry in a time-dependent hydrodynamical simulation
- 12.3. Initializing chemical abundances
- 12.4. Cost versus network size: choosing a chemical network
- 12.5. How chemistry affects dynamics: heating and cooling
- References
- Chapter 13: Synthetic observations: bridging the gap between theory and observations
- Abstract
- 13.1. Why create synthetic observations?
- 13.2. Thermal dust continuum emission
- 13.3. Gas line emission
- 13.4. Creating images and spectral energy distributions
- 13.5. Comparing apples to apples: accounting for the telescope/detector
- 13.6. Turning simulation data into synthetic observations: a practical overview
- 13.7. Example: a protoplanetary disk with an outflow
- 13.8. An incomplete survey of tools for synthetic observations
- References
- Chapter 14: Case studies
- Abstract
- 14.1. Introduction
- 14.2. Modeling large scales: cosmological simulations of first stars, galaxies, and SMBHs
- 14.3. Star-forming regions
- 14.4. Protostars
- 14.5. Protoplanetary disks
- References
- Index
- Edition: 1
- Published: November 23, 2023
- No. of pages (Paperback): 432
- No. of pages (eBook): 370
- Imprint: Elsevier
- Language: English
- Paperback ISBN: 9780323917469
- eBook ISBN: 9780323972574
SB
Stefano Bovino
Stefano Bovino is Associate Professor in the Department of Astronomy, Universidad de Concepción, Chile, and head of the Astrochemistry group. His research focuses on astrochemistry, and is concerned with providing state-of- the-art models that allow a comparison and a better interpretation of the observational data, employing them to perform 3D hydrodynamical simulations of different environments. He is co-developer of the astrochemistry package KROME, a widely used public tool to model chemistry and microphysics in hydrodynamical simulations. As an astrochemist, he is involved in where microphysics could be relevant like the ISM in galaxies, star formation in molecular clouds, and the transition between the first and second generation of stars where dust has played a crucial role.
Affiliations and expertise
Associate Professor, Department of Chemistry, Sapienza University of Rome, Italy; Department of Astronomy, Universidad de Concepción, ChileTG
Tommaso Grassi
Tommaso Grassi is a research fellow at Ludwig Maximilian University of Munich, Germany, with longstanding experience in computational astrochemistry. Over the years he has tackled various different astrochemical problems from star formation to protoplanetary discs, including for instance the effects of microphysics into magneto-hydrodynamical models. He is the main developer of the public astrochemistry package KROME among other useful public codes he released over the course of his career.
Affiliations and expertise
Research Fellow, Ludwig Maximilian University of Munich, GermanyRead Astrochemical Modeling on ScienceDirect