Changeset 2043

Show
Ignore:
Timestamp:
05/11/08 14:27:43 (6 months ago)
Author:
rjrw
Message:

Integrate Nick Abel's Ne, Ar additions to the chemistry.

Location:
branches/newmole/source
Files:
3 modified

Legend:

Unmodified
Added
Removed

  • branches/newmole/source/cool_neon.cpp

    r1739 r2043  
    55#include "coolheavy.h" 
    66#include "taulines.h" 
     7#include "mole.h" 
    78#include "dense.h" 
    89#include "phycon.h" 
    … …  
    2425          cs12, 
    2526          cs13, 
    26           cs23;  
     27          cs23, 
     28          /* >>chng 08 may 06, Add collisional excitation of NeII by H, important in AGN */ 
     29          cs_neII_h;  
    2730        realnum  
    2831          cs,  
    … …  
    4346        cs=(realnum)(0.132*phycon.te07*phycon.te02 *phycon.te004 *phycon.te0001 ); 
    4447 
    45         PutCS(cs,&TauLines[ipTNe13]); 
     48        /* >>chng 08 mag 06, Collisional de-excitation rate of fine-structure level of Ne+ by H impact, from * 
     49         * >>refer      ne2     csh Hollenbach, D. & McKee, C. F. 1989, ApJ, 342, 306 */ 
     50 
     51        cs_neII_h = 1.3e-9; 
     52 
     53        PutCS(cs+cs_neII_h*(dense.xIonDense[ipHYDROGEN][0]+findspecies("H2")->den+findspecies("H2*")->den)/dense.cdsqte,&TauLines[ipTNe13]); 
    4654        atom_level2(&TauLines[ipTNe13]); 
    4755 

  • branches/newmole/source/mole_reactions.cpp

    r2042 r2043  
    253253        } 
    254254 
    255 #       if 0 
    256         newreact("C+2,H2=>CH+,H+","hmrate",1e-11,0,0);  /* UMIST *fudge(0) */     
    257         newreact("O+2,H2=>H2+,O+","hmrate",1e-11,0,0); /* UMIST *fudge(0) */ 
    258         newreact("S+2,H2=>H2+,S+","hmrate",1e-11,0,0); /* UMIST *fudge(0) */ 
    259         newreact("N+2,H2=>H2+,N+","hmrate",1e-11,0,0); /* UMIST *fudge(0) */ 
    260         newreact("C+2,H2=>H2+,C+","hmrate",1e-11,0,0); /* UMIST *fudge(0) */ 
    261         newreact("O+2,H2=>OH+,H+","hmrate",1e-11,0,0); /* UMIST *fudge(0) */ 
    262 #       endif 
    263         newreact("Ne+2,H2=>Ne+,H+,H","hmrate",1e-11,0,0); /* UMIST *fudge(1)     */ 
    264         newreact("S+2,H2=>HS+,H+","hmrate",1.6e-9,0,0); /* UMIST        *fudge(0)  */ 
    265         newreact("S+2,H2=>H2+,S+","hmrate",1.6e-9,0,0); /* UMIST        *fudge(1) */ 
    266         newreact("S+2,H=>H+,S+","hmrate",1.0e-14,0,0); /* UMIST  */ 
     255        /* Sulphur Chemistry, involving double ions */ 
     256        newreact("S+2,H2=>HS+,H+","hmrate",1.6e-9,0,0); /* Chen et al. 2003  */ 
     257        newreact("S+2,H=>H+,S+","hmrate",1.0e-14,0,0); /* Yan 1997 */ 
     258        /* Argon Chemistry -- from database compiled by V. G. Anicich at http://ntrs.nasa.gov/search.jsp?R=781494&id=5&qs=N%3D4294878962 */ 
     259        newreact("H2+,Ar=>ArH+,H","hmrate",2.3e-9,0,0); /* Anicich 2003 Database */ 
     260        newreact("H3+,Ar=>ArH+,H2","hmrate",3.65e-10,0,0); /* Anicich 2003 Database */ 
     261        newreact("N2+,Ar=>Ar+,N2","hmrate",3.65e-10,0,0); /* Anicich 2003 Database */ 
     262        newreact("Ar+,H2=>Ar,H2+","hmrate",2.0e-12,0,0); /* Anicich 2003 Database */ 
     263        newreact("Ar+,H2=>ArH+,H","hmrate",8.72e-10,0,0); /* Anicich 2003 Database */ 
     264        newreact("Ar+,CH4=>CH2+,Ar,H2","hmrate",1.4e-10,0,0); /* Anicich 2003 Database */ 
     265        newreact("Ar+,CH4=>CH3+,Ar,H","hmrate",7.9e-10,0,0); /* Anicich 2003 Database */ 
     266        newreact("Ar+,NH3=>Ar,NH3+","hmrate",1.6e-9,0,0); /* Anicich 2003 Database */ 
     267        newreact("Ar+,N2=>N2+,Ar","hmrate",1.2e-11,0,0); /* Anicich 2003 Database */ 
     268        newreact("Ar+,H2O=>H2O+,Ar","hmrate",1.3e-9,0,0); /* Anicich 2003 Database */ 
     269        newreact("Ar+,O2=>O2+,Ar","hmrate",3.5e-11,0,0); /* Anicich 2003 Database */ 
     270        newreact("Ar+,HCl=>HCl+,Ar","hmrate",2.9e-10,0,0); /* Anicich 2003 Database */ 
     271        newreact("Ar+,HCl=>Cl,ArH+","hmrate",6.0e-11,0,0); /* Anicich 2003 Database */ 
     272        newreact("Ar+,CO=>CO+,Ar","hmrate",2.8e-11,0,0); /* Anicich 2003 Database */ 
     273        newreact("ArH+,e-=>H,Ar","hmrate",1.0e-7,-0.50,0); /* Guess based on typical electron recombination rate coefficients */ 
     274        /* Neon Chemistry -- from database compiled by V. G. Anicich at http://ntrs.nasa.gov/search.jsp?R=781494&id=5&qs=N%3D4294878962 */ 
     275        newreact("Ne+2,H=>Ne+,H+","hmrate",1e-14,0,0); /*Arnnaud & Rothenflug (1985) */ 
     276        newreact("H2+,Ne=>NeH+,H","hmrate",2.3e-10,0,0); /* Anicich 2003 Database */ 
     277        newreact("H3+,Ne=>NeH+,H2","hmrate",3.65e-10,0,0); /* Anicich 2003 Database */ 
     278        newreact("HeH+,Ne=>NeH+,He","hmrate",1.25e-9,0,0); /* Anicich 2003 Database */ 
     279        newreact("Ne+,CH4=>CH+,Ne,H2,H","hmrate",8.4e-13,0,0); /* Anicich 2003 Database */ 
     280        newreact("Ne+,CH4=>CH2+,Ne,H2","hmrate",4.2e-12,0,0); /* Anicich 2003 Database */ 
     281        newreact("Ne+,CH4=>CH3+,Ne,H","hmrate",4.7e-12,0,0); /* Anicich 2003 Database */ 
     282        newreact("Ne+,CH4=>CH4+,Ne","hmrate",1.1e-11,0,0); /* Anicich 2003 Database */ 
     283        newreact("Ne+,NH3=>NH+,Ne,H2","hmrate",4.5e-12,0,0); /* Anicich 2003 Database */ 
     284        newreact("Ne+,NH3=>NH2+,Ne,H","hmrate",1.9e-10,0,0); /* Anicich 2003 Database */ 
     285        newreact("Ne+,NH3=>NH3+,Ne","hmrate",2.7e-11,0,0); /* Anicich 2003 Database */ 
     286        newreact("Ne+,N2=>N2+,Ne","hmrate",1.1e-13,0,0); /* Anicich 2003 Database */ 
     287        newreact("Ne+,H2O=>H2O+,Ne","hmrate",8.0e-10,0,0); /* Anicich 2003 Database */ 
     288        newreact("Ne+,O2=>O+,Ne,O","hmrate",6.0e-11,0,0); /* Anicich 2003 Database */ 
     289        newreact("NeH+,H2=>H3+,Ne","hmrate",2.0e-11,0,0); /* Anicich 2003 Database */ 
     290        newreact("NeH+,He=>HeH+,Ne","hmrate",3.8e-14,0,0); /* Anicich 2003 Database */ 
     291        newreact("NeH+,e-=>H,Ne","hmrate",1.0e-7,-0.5,0); /* Guess based on typical electron recombination rate coefficients */ 
    267292 
    268293        /* mutual neutralization with heavies, rate from Dalgarno and McCray 

  • branches/newmole/source/mole_species.cpp

    r2042 r2043  
    137137        sp = newspecies("Cl    ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipCHLORINE][0]), 119.6f); 
    138138        sp = newspecies("Ne    ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipNEON][0]), 0.0f); // Binding energy ??  
     139        sp = newspecies("Ar    ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipARGON][0]), 0.0f); // Binding energy ??  
    139140        sp = newspecies("C+    ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipCARBON][1]), 1797.6f); 
    140141        sp = newspecies("O+    ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipOXYGEN][1]), 1560.7f); 
    … …  
    144145        sp = newspecies("Cl+   ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipCHLORINE][1]), 1371.0f); 
    145146        sp = newspecies("Ne+   ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipNEON][1]), 0.0f);// Binding energy ??  
     147        sp = newspecies("Ar+   ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipARGON][1]), 0.0f);// Binding energy ??  
    146148        sp = newspecies("C+2   ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipCARBON][2]), 0.0f);// Binding energy ??  
    147149        sp = newspecies("O+2   ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipOXYGEN][2]), 0.0f);// Binding energy ??  
    … …  
    151153        sp = newspecies("Cl+2  ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipCHLORINE][2]), 0.0f);// Binding energy ??  
    152154        sp = newspecies("Ne+2  ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipNEON][2]), 0.0f);// Binding energy ??  
     155        sp = newspecies("Ar+2  ",MOLECULE,MOLE_ACTIVE,&(dense.xIonDense[ipARGON][2]), 0.0f);// Binding energy ??  
    153156        sp = newspecies("CH    ",MOLECULE,MOLE_ACTIVE,NULL, 592.5f); 
    154157        sp = newspecies("CH+   ",MOLECULE,MOLE_ACTIVE,NULL, 1619.1f); 
    … …  
    225228        sp = newspecies("H2CCl+",MOLECULE,MOLE_ACTIVE,NULL, 962.1f); 
    226229        sp = newspecies("ClO+  ",MOLECULE,MOLE_ACTIVE,NULL, 1158.0f); 
     230        sp = newspecies("ArH+  ",MOLECULE,MOLE_ACTIVE,NULL, 0.0f)/* Binding Energy ?? */; 
     231        sp = newspecies("NeH+  ",MOLECULE,MOLE_ACTIVE,NULL, 0.0f)/* Binding Energy ?? */; 
    227232        if(gv.lgDustOn && mole.lgGrain_mole_deplete ) 
    228233        {