| Description |
1 online resource (434 p.) |
| Note |
Description based upon print version of record. |
| Contents |
Front Cover -- Astrochemical Modeling -- Copyright -- Contents -- Contributors -- Foreword -- Preface -- 1 Chemistry -- 1 Gas-phase chemistry -- 1.1 Overview -- 1.2 Sources of basic atomic and molecular data -- 1.3 Atomic and molecular processes -- 1.3.1 Specific processes -- 1.3.1.1 Radiative recombination -- 1.3.1.2 Photoionization -- 1.3.1.3 Radiative association -- 1.3.1.4 Photodissociation -- 1.3.1.5 Radiative attachment -- 1.3.1.6 Photodetachment -- 1.3.1.7 Dissociative recombination -- 1.3.1.8 Associative detachment -- 1.3.1.9 Charge transfer -- 1.3.2 Other processes |
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1.4 Chemical reactions -- 1.4.1 Ion-neutral reactions -- 1.4.2 Neutral-neutral reactions -- 1.4.3 Mutual neutralization -- References -- 2 Designing a gas-phase chemical network -- 2.1 General considerations -- 2.1.1 Reaction rates and coefficients -- 2.1.2 Chemical networks -- 2.2 Data availability -- 2.2.1 Databases -- 2.2.2 Data type, applicability, and limitations -- 2.2.3 Dealing with data not included in databases -- 2.2.4 Estimating reaction rate coefficients -- 2.2.4.1 Ion-neutral reactions -- 2.2.4.2 Neutral-neutral reactions -- 2.2.4.3 Radiative association reactions |
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2.2.4.4 Dissociative recombination reactions -- 2.3 Basic network implementation -- 2.3.1 Chemical networks: general considerations -- 2.3.2 Closure and conservation equations -- 2.3.3 Benchmarking a chemical network -- 2.3.4 Isotopologues and spin states -- References -- 3 Time-dependent integration of chemical networks -- 3.1 Initial-value problems and differential-algebraic equations -- 3.1.1 Example network 1 -- 3.1.2 Example network 2 -- 3.2 Basic numerical methods -- 3.2.1 Forward Euler -- 3.2.2 Backward Euler -- 3.2.3 Linear stability -- 3.2.4 Linear stability example |
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3.2.5 Stiffness and time scale estimation -- 3.3 Implicit solvers -- 3.3.1 Linear algebraic solvers -- 3.3.1.1 Structured matrices -- 3.3.1.2 Iterative linear solvers -- 3.3.2 Stopping criteria and tolerances -- 3.4 Higher-order accuracy -- 3.4.1 Runge-Kutta methods -- 3.4.1.1 Explicit Runge-Kutta implementation -- 3.4.1.2 Diagonally-implicit Runge-Kutta implementation -- 3.4.1.3 Linear stability of Runge-Kutta methods -- 3.4.2 Linear multistep methods -- 3.4.2.1 Implementation of LMMs -- 3.4.2.2 Linear stability of LMMs -- 3.5 Time adaptivity -- 3.6 Advanced techniques for chemical networks |
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3.6.1 Unit normalization -- 3.6.2 Implicit enforcement of conservation constraints -- 3.6.3 Steady-state approximations -- 3.6.4 Implicit-explicit (ImEx) methods -- 3.6.5 Multirate (subcycling) methods -- 3.6.6 Machine learning -- 3.6.7 IVP software -- 3.6.8 SciPy -- 3.6.9 HPC libraries -- 3.6.10 Algorithmic differentiation -- References -- 4 Chemistry on interstellar dust grains -- 4.1 A brief overview of the ISM -- 4.2 Physicochemical mechanisms on dust grains -- 4.2.1 Accretion & adsorption -- 4.2.1.1 Multiple binding energies in astrochemical models |
| Note |
4.2.1.2 Quantum chemical calculations of binding energies |
| Added Author |
Grassi, Tommaso.
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| Other Form: |
Print version: Bovino, Stefano Astrochemical Modeling San Diego : Elsevier,c2023 9780323917469 |
| ISBN |
9780323972574 |
|
0323972578 |
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