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The Physical and Chemical Structure of Warm and Dense Molecular Clouds THE PHYSICAL AND CHEMICAL STRUCTURE OF WARM AND DENSE MOLECULAR CLOUDS David Jansen De afbeelding op de omslag is samengesteld uit een maxi- mum entropy IRAS kaart van IC 63 en een afbeelding van het C3H2 molecule met electronen-verdeling, gemaakt door Dirk Huckriede van de vakgroep Structuurchemie van de Rijksuniversiteit Leiden. Deze combinatie is alleen gekozen op overeenkomst in vorm; dit molecule is niet gedetecteerd in IC 63. THE PHYSICAL AND CHEMICAL STRUCTURE OF WARM AND DENSE MOLECULAR CLOUDS PROEFSCHRIFT ter verkrijging van de graad van Doctor aan de Rijksuniversiteit te Leiden, op gezag van de Rector Magnificus Dr. L. Leertouwer, hoogleraar in de Faculteit der Godgeleerdheid, volgens besluit van het College van Dekanen te verdedigen op woensdag 14 juni 1995 te klokke 15.15 uur door David Jona Jansen geboren te Leiden in 1968 Promotie commissie Promotores : Prof. dr. E.F. van Dishoeck Prof. dr. H.J. Habing Referent : Prof. dr. J.H. Black (University of Arizona) Overige leden : Prof. dr. W.B. Burton Prof. dr. V. Icke Dr. F.P. Isra¨el Prof. dr. J. Amesz Contents Part A. Introduction and theory 1 Chapter 1. Introduction 3 Interstellar molecules ................................................... ......... 4 Observational techniques ................................................... ..... 5 Molecular lines and excitation ................................................... 5 Warm clouds ................................................... ................. 8 Photon dominated regions ................................................... ..9 Shocks ................................................... ....................10 Chemistry ................................................... .................. 11 From observations to models ................................................... 12 Chapter 2. Excitation of molecules in dense clouds 15 Introduction ................................................... ................ 16 Energy level structure ................................................... ....... 16 Level populations ................................................... ........... 19 Radiative transfer ................................................... ........... 20 Escape probability ................................................... .......... 22 Background radiation field ................................................... .. 23 Computing line intensities ................................................... ... 24 Collisional rate coefficients ................................................... .. 25 Calculations ................................................... ................ 26 Results and discussion ................................................... .......27 Effects of optical depth ................................................... ... 32 Effects of the far-infrared radiation field ...................................... 33 Effects of electron collisions .................................................. 33 Formaldehyde ortho / para exchange processes ............................... 34 Summary of temperature and density probes ................................. 34 The young stellar object IRAS 16293 −2422 .................................... 36 Conclusions ................................................... ................. 37 Part B. Photon Dominated Regions 55 Chapter 3. Physical and chemical structure of the IC 63 nebula I. Millimeter and far-infrared observations 57 Introduction ................................................... ................ 58 Observations ................................................... ................ 59 Results ................................................... ..................... 60 Molecular maps ................................................... ........... 60 IRAS maps and submillimeter fluxes ......................................... 61 Molecular spectra ................................................... ......... 62 Physical Parameters ................................................... .........66 Method ................................................... ................... 66 Determination of temperature and density ....................................67 The infrared emission and radiative balance .................................. 70 Column densities and abundances .............................................. 71 Column densities of heavy molecules ......................................... 71 Column density of H2 ................................................... ..... 74 Abundances ................................................... .............. 75 Effects of gradients ................................................... ....... 75 NGC 2023 results ................................................... ........... 77 Comparison between the clouds ................................................ 79 Conclusions ................................................... ................. 80 Chapter 4. Physical and chemical structure of the IC 63 nebula II. Chemical models 83 Introduction ................................................... ................ 84 Summary of observations ................................................... .... 86 The ultraviolet spectrum of γ Cas .............................................. 86 H2 fluorescent spectrum ................................................... ..... 88 Chemical models ................................................... ............ 91 One-dimensional model ................................................... ... 91 Elemental abundances and depletions ........................................ 93 Heating and cooling processes ................................................ 93 Results of one-dimensional models .............................................. 95 Depth dependence of abundances .............................................95 Influence of density and total column density ................................105 Cosmic ray ionization ................................................... .... 106 Depletion variations ................................................... ..... 106 Radiation field ................................................... ...........107 Heating and cooling and the temperature structure .......................... 108 Two-dimensional models ................................................... ... 110 Comparison with other PDR models .......................................... 113 Conclusions ................................................... ................ 115 Chapter 5. Physical and chemical structure of the IC 63 nebula III. Gas-phase carbon abundance 119 Introduction ................................................... ............... 120 Observations ................................................... ............... 121 Analysis of the [CI] and [CII] data ............................................. 123 Analysis of the CO data ................................................... ....125 Depth-dependent excitation analysis ...........................................128 Carbon abundance ................................................... ......... 129 Conclusions ................................................... ................ 130 Chapter 6. Millimeter and submillimeter observations of the Orion Bar I. Physical structure 133 Introduction ................................................... ............... 134 Observations ................................................... ............... 136 Results ................................................... .................... 144 Excitation analysis ................................................... ......... 147 Inhomogeneous models ................................................... ..... 151 Two-component model ................................................... ... 151 Determination of molecular column densities ................................ 154 Alternative clump models ................................................... 157 A physical model for the Orion Bar ........................................... 159 A purely geometrical model ................................................. 159 A less geometric interpretation .............................................. 161 Summary ................................................... .................. 163 Chapter 7. Millimeter and submillimeter observations of the Orion Bar II. Chemical models 167 Introduction ................................................... ............... 168 Summary of observations and excitation analysis .............................. 169 Column densities and abundances ............................................. 172 One-dimensional chemical models ............................................. 173 Face-on positions ................................................... ........ 177 The peak position ................................................... ....... 178 Two-dimensional chemical models ............................................. 183 Temperature structure ................................................... ..... 184 Conclusions ................................................... ................ 186 Part C. Shocked regions 189 Chapter 8. Submillimeter observations of the shocked molecular gas associ- ated with the supernova remnant IC 443 191 Introduction ................................................... ............... 192 Observations ................................................... ............... 193 Global kinematic structure ................................................... 194 Observations of other molecules ..............................................
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