The NAUTILUS chemical model

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Table of contents

1 INTRODUCTION 
1.1 REVISITING THE CHEMISTRY
1.1.1 Spectroscopy’s principle
1.1.2 Chemical modeling and laboratory experiments
1.1.2.1 Chemistry in the interstellar gas
1.1.2.2 Chemistry on dust grains
1.1.2.3 Generalities on chemical modeling
1.1.2.4 A word about laboratory experiments
1.1.3 The NAUTILUS chemical model
1.1.3.1 Gas phase chemistry
1.1.3.2 Grains chemistry
1.2 … OF STAR FORMATION
1.2.1 From diffuse clouds to dense clouds
1.2.2 Cloud collapse and star formation
1.2.3 The death of stars
1.3 OBJECTIVES AND ORGANIZATION OF THE THESIS
2 SULPHUR CHEMISTRY IN DARK CLOUDS 
2.1 INTRODUCTION
2.1.1 The sulphur depletion problem
2.1.2 Current hypothesis on the reservoirs of sulphur in dark clouds .
2.2 PRESENTATION OF THE ENHANCED CHEMICAL NETWORK
2.2.1 Modification of the sulphur network
2.2.2 Effects of the new network on the chemical model of dark clouds
2.2.2.1 The main sulphur bearing species
2.2.2.2 The newly implemented sulphur bearing species
2.2.2.3 Comparison with the previous network
2.3 COMPARISON WITH OBSERVATIONS IN THE DARK CLOUD TMC-1 .
2.3.1 Comparison with models A and B
2.3.2 Variation of the elemental sulphur abundance
2.3.2.1 Comparison with all observed gas phase species
2.3.2.2 Comparison with observed sulphur bearing gas phase species
2.3.2.3 The new species HNCS and HSCN
2.3.2.4 Sulphur bearing species on grains towards W33A
2.3.3 Sulphur reservoirs in dark clouds
2.4 DISCUSSIONS AND SUMMARY
2.4.1 About the elemental abundance of sulphur
2.4.2 About the reservoirs of sulphur in dark clouds
2.4.3 About the observability of HCS
2.4.4 Summary
3 A NEW LOOK AT SULPHUR CHEMISTRY IN HOT CORES AND CORINOS 
3.1 INTRODUCTION
3.2 MODELS PARAMETERS
3.2.1 H2 ad hoc formation mechanism
3.2.2 Parent dark cloud parameters
3.2.3 Hot core models parameters
3.2.3.1 The 0D static model parameters
3.2.3.2 The 1D static model parameters
3.2.3.3 The 0D dynamic model parameters
3.3 HOT CORE CHEMISTRY
3.3.1 0D models
3.3.1.1 Oxygen chemistry
3.3.1.2 Sulphur chemistry
3.3.1.3 Comparisons to observations
3.3.2 1D static models
3.3.3 0D dynamic models
3.4 DISCUSSIONS AND SUMMARY
3.4.1 About the modification of the density profile of the dynamic model
3.4.2 About H2S and the initial abundance of sulphur
3.4.3 About the sensitivity to the type of model
3.4.4 About the importance of the pre-collapse chemical composition .
3.4.5 Summary
4 CONSTRAINING THE IPPC OF COLLAPSING PRESTELLAR CORES 
4.1 INTRODUCTION
4.2 RHD CHEMICAL COLLAPSE MODELS OF LOW-MASS STAR FORMATION
4.2.1 The database
4.2.1.1 Bonnor-Ebert spheres
4.2.1.2 The Lagrangian grid
4.2.1.3 Initial setup of the collapse models
4.2.2 Chemical modeling
4.2.2.1 Selection of the reference dataset for chemical modeling
4.2.2.2 Parameters of the chemical modeling
4.3 POST-TREATMENT OF THE CHEMICAL OUTPUTS AND RESULTS
4.3.1 Search for tracers of initial physical parameters of collapse
4.3.1.1 Definition of the regions of study
4.3.1.2 Correlations in the Hot Corinos Region
4.3.2 Constraints on the envelope of Class 0 protostars
4.3.2.1 Presentation of the method
4.3.2.2 Results on the envelope of IRAS 16293-2422
4.3.2.3 Summary of the results on the source sample
4.4 DISCUSSIONS AND SUMMARY
4.4.1 About the modeling bias
4.4.2 About the applicability of the method on the HCR dataset
4.4.3 Summary
5 CONCLUSIONS AND PERSPECTIVES 
A SUMMARY OF SULPHUR COMPOUNDS REACTIONS REVIEW 
B INITIAL PARAMETERS OF THE RADIATION HYDRODYNAMIC MODELS 
C CORRELATIONS IN THE HOT CORE REGION 
D CONSTRAINTS ON THE IPPC FOR EACH SOURCES 
E ACRONYMS AND SYMBOLS 
F INTRODUCTION 
F.1 REVISITER LA CHIMIE
F.1.1 Généralités
F.1.2 Le modèle de chimie NAUTILUS
F.1.2.1 Chimie en phase gazeuse
F.1.2.2 Chimie sur les grains
F.2 …DE LA FORMATION STELLAIRE
F.2.1 Des nuages diffus aux nuages denses
F.2.2 Effondrement et formation stellaire
F.3 OBJECTIFS ET ORGANISATION DE LA THÈSE
G RÉSUMÉ, CONCLUSIONS ET PERSPECTIVES 
H PUBLICATIONS 
BIBLIOGRAPHIE

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