root/trunk/tsuite/slow/h2_th85orion.in

title Tielens and Hollenbach pdr model with orion grains, Table 2, paper b
failures 3 
//>>refer Tielens, A.G.G.M., & Hollenbach, D., 1985, ApJ, 291, 747-754
c
print line sort intensity
print line column 
iterate
c 
c cosmic background
background
cosmic rays, background 
c 
set nend 2000 
c simulate effects of gas we do not model 
double
c
c first continuum is FIR hot grain continuum produced in 
c unmodeled HII Region
blackbody, t=75K
intensity 2.7 (total)
c
c this is the attenuated hot stellar continuum
black 30000
intensity  2.204 range  0.4412 to 1 Ryd
c
c this will remove all ionizing radiation
extinguish 24 0
c
hden 5.362
// next two turn on Orion grains with PAHs 
grains orion
grains PAH
atom h2 
init file="ism.ini"
abundances he -1.01 c -3.52 n-8 o-3.30 ne-8 mg-5.89
continue si -6.10 s -5.10 cl-7 ar-8 fe -6.60
turbulence 2.7 km/sec
normalize to "C  2" 157.6m 
sphere
case b
cosmic rays, background
//
// stopping criteria
c this should be the one actually used
stop AV 33.2 
c stop when gas is fully neutral
stop efrac -10
c stop when gas is cold
stop temperature 10 linear
c stop at thickness so that would make results very
c detail dependent
// >>chng 03 mar 08, from 16.5 to 16.3, so both th85orion, th85ism,
// stop for thickness, not C fully molecular
// >>chng 03 aug 28, stop at a few parsecs
stop thickness 19
//
c uv lines are strongly pumped by stellar continuum, break out contribution
print line pump
print line optical depths
print ages
//
punch overview last "h2_th85orion.ovr" no hash 
punch pdr last "h2_th85orion.pdr"
// 
// this only outputs major molecules 
punch molecules last "h2_th85orion.mol"
punch dr "h2_th85orion.dr"
// 
// this is to get all of H molecules 
punch hydrogen physical conditions last "h2_th85orion.hyd" 
// 
punch results last "h2_th85orion.rlt"
punch asserts last "h2_th85orion.asr"
punch continuum units microns last "h2_th85orion.con"
punch fine conti unit last micron "h2_th85orion_con.fin" range 0.7 1. skip 2
// 
// don't punch since 2mg and slow across network 
* punch fine opaci unit micron "h2_th85orion_opc.fin" range 0.7 1. skip 2 
punch heating last "h2_th85orion.het"
punch cooling last "h2_th85orion.col"
punch hydrogen 21 cm last "h2_th85orion.21cm"
punch H2 destruction "h2_th85orion.H2d"
punch H2 creation "h2_th85orion.H2c"
c
// >>chng 04 mar 26, add H2, all changed, reset
// >>chng 04 dec 08, from -2.926 to -3.254 co-ion feedback, check converg
// >>chng 05 jan 07, from -3.254 to -3.210, chem net, incr err
// >>chng 05 jun 21, from -3.21 to -3.37, chng cr, grn deex
// >>chng 05 jul 17, from -3.37 to -3.23 first run in 6 mo
// >>chng 05 sep 08, from -3.23 to -3.33, first run in 2 mo
// >>chng 07 dec 04, from -3.33 to -3.27, update H-H2 coll rates
// >>chng 07 dec 31, from -3.27 to -3.22 additional vJ H-H2 rates
// >>chng 08 mar 17, from -3.22 to -3.26 line overlap??, not run recently
// >>chng 08 apr 30, from -3.26 to -3.34 H, He topoff change
// >>chng 08 sep 19, from -3.34 to -3.301, new method for average Badnell DR
// >>chng 08 dec 13, from -3.301 to -3.258, merging newsolvers branch
assert line luminosity "H2  " 17.03m  -3.258 error 0.1
// 
// >>chng 04 dec 08, from -2.883 to -2.946 co-ion feedback, check converg
// >>chng 05 jan 07, from -2.946 to -3.02, chem net, incr err
// >>chng 05 jun 21, from -3.02 to -3.15, chng cr, grn deex
// >>chng 05 sep 08, from -3.15 to -3.23, first run in 2 mo
// >>chng 07 dec 04, from -3.23 to -3.09, update H-H2 coll rates
// >>chng 07 dec 31, from -3.09 to -3.23 additional vJ H-H2 rates
assert line luminosity "H2  " 2.406m  -3.23 error 0.1
// 
// >>chng 04 dec 08, from -3.668 to -4.383 co-ion feedback, check converg
// >>chng 05 jan 07, from -4.383 to -4.61, chem net, incr err
// >>chng 05 jun 21, from -4.61 to -4.41, chng cr, grn deex
// >>chng 05 sep 08, from -4.41 to -4.64, first run in 2 mo
// >>chng 06 mar 02, from -4.64 to -4.67, NA Fe0, Mg0, <-> Si+, S+, C+ ct,
// also energy barrier for H + (CH and CH2) reactions
// >>chng 07 dec 04, from -4.67 to -4.50, update H-H2 coll rates
// >>chng 07 dec 15, from -4.50 to -4.44, X-ray grain merge
// >>chng 07 dec 31, from -4.44 to -4.41 additional vJ H-H2 rates
// >>chng 08 mar 17, from -4.41 to -4.54 line overlap??, not run recently
// >>chng 08 apr 30, from -4.54 to -4.66 H, He topoff change
// >>chng 08 sep 25, from -4.66 to -4.58, remove damper on line pump (r2367)
assert line luminosity "H2  " 12.28m  -4.58 error 0.15
// 
// >>chng 04 dec 08, from -2.953 to -3.016 co-ion feedback, check converg
// >>chng 05 jan 07, from -3.016 to -3.09, chem net, incr err
// >>chng 05 jun 21, from -3.09 to -3.22, chng cr, grn deex
// >>chng 05 sep 08, from -3.22 to -3.31, first run in 2 mo
// >>chng 07 dec 04, from -3.31 to -3.16, update H-H2 coll rates
// >>chng 07 dec 31, from -3.16 to -3.30 additional vJ H-H2 rates
assert line luminosity "H2  " 2.802m  -3.30 error 0.1
// 
// >>chng 04 dec 08, from -2.957 to -3.009 co-ion feedback, check converg
// >>chng 05 jan 07, from -3.009 to -3.051, chem net, incr err
// >>chng 05 jun 21, from -3.05 to -3.18, chng cr, grn deex
// >>chng 05 sep 08, from -3.18 to -3.27, first run in 2 mo
// >>chng 07 apr 10, from -3.27 to -3.32, ORNL H2-He collisions
// >>chng 07 dec 04, from -3.22 to -3.12, update H-H2 coll rates
// >>chng 07 dec 31, from -3.12 to -3.33 additional vJ H-H2 rates
assert line luminosity "H2  " 2.121m  -3.33 error 0.1 
// 
assert line luminosity "c  2" 157.6m -1.665 
//
assert line luminosity "o  1" 63.17m -0.448
//
assert line luminosity "o  1" 145.5m -1.572 error 0.1
//
assert line luminosity "toth" 0 -0.353 
//
// >>chng 04 dec 08, from 2.614 to 2.565 co-ion feedback, check converg
assert line luminosity "grat" 0 2.565
c
// >>chng 05 sep 08, from -0.295 to -0.275 first run in 2 mo
// >>chng 06 mar 02, from -0.275 to -0.319 NA Fe0, Mg0, <-> Si+, S+, C+ ct,
// also energy barrier for H + (CH and CH2) reactions
assert ionization silicon 2 -0.319
//
// >>chng 06 mar 02, from -0.448 to -0.317 NA Fe0, Mg0, <-> Si+, S+, C+ ct,
// also energy barrier for H + (CH and CH2) reactions
assert ionization magnesium 2 -0.317
//
// >>chng 06 dec 28, from 230 to 242, fix co chem ct rates
assert temperature carbon 2 242
//
assert h2 column density 22.429 error 0.1
//
assert CO column density 19.046 error 0.1
//
assert grain 01 temperatuer 59.63
//
assert grain 03 temperature 58.51
//
assert grain 09 temperature 54.87
//
assert grain 11 temperature 59.05
//
assert grain 19 temperature 56.80
//
// >>chng 08 dec 08, from 1200 to 810, upper limit -> equals (r2515)
// >>chng 08 dec 13, from 810 to 828, merging newsolvers branch
assert nzone 828 error 0.01
//
// >>chng 04 dec 08, from 5.5 to 6.5 co-ion feedback, check converg
// >>chng 05 jul 17, from 6.5 to 11 first run in 6 mo
// >>chng 08 dec 08, from 11 to 8.956, upper limit -> equals (r2515)
// >>chng 08 dec 13, from 8.956 to 11.66, merging newsolvers branch
assert itrzn 11.66 error 0.02
//
// these added 05 jan 23
assert H2 column density level 0  0  22.34 error 0.1
// 
// >>chng 06 mar 02, from 21.64 to 21.67, NA Fe0, Mg0, <-> Si+, S+, C+ ct,
// also energy barrier for H + (CH and CH2) reactions
assert H2 column density level 0  1  21.67 error 0.1
// 
// >>chng 05 jun 21, from 19.29 to 19.42, chng cr, grn deex
// >>chng 05 jul 17, from 19.42 to 19.52, first run in 6 mo
// >>chng 05 sep 08, from 19.52 to 19.45 first run in 2 mo
// >>chng 07 dec 31, from 19.45 to 19.49 additional vJ H-H2 rates
// >>chng 08 mar 17, from 19.49 to 19.42 line overlap??, not run recently
// >>chng 08 apr 30, from 19.42 to 19.34 H, He topoff change
// >>chng 08 sep 25, from 19.34 to 19.42, remove damper on line pump (r2367)
assert H2 column density level 0  2  19.42 error 0.15
// 
// >>chng 05 jun 21, from 19.01 to 18.89, chng cr, grn deex
// >>chng 05 jul 17, from 18.89 to 19.03, first run in 6 mo
// >>chng 05 sep 08, from 19.03 to 18.92 first run in 2 mo
// >>chng 07 dec 04, from 18.92 to 18.99, update H-H2 coll rates
// >>chng 07 dec 31, from 18.99 to 19.04 additional vJ H-H2 rates
// >>chng 08 mar 17, from 19.04 to 19.00 line overlap??, not run recently
// >>chng 08 apr 30, from 19.00 to 18.92 H, He topoff change
// >>chng 08 dec 13, from 18.92 to 19, merging newsolvers branch
assert H2 column density level 0  3  19 error 0.15
// 
// >>chng 05 jun 21, from 16.75 to 16.94, chng cr, grn deex
// >>chng 05 sep 08, from 16.94 to 16.70 first run in 2 mo
// >>chng 07 apr 10, from 16.70 to 16.66, ORNL H2-He collisions
// >>chng 07 dec 04, from 16.66 to 16.85, update H-H2 coll rates
// >>chng 07 dec 15, from 16.85 to 16.91, X-ray grain merge
// >>chng 08 feb 10, from 16.91 to 16.95, chng CR heat efficiency
// >>chng 08 mar 17, from 16.95 to 16.81 line overlap??, not run recently
// >>chng 08 apr 30, from 16.81 to 16.69 H, He topoff change, inc err
// >>chng 08 sep 25, from 16.69 to 16.77, remove damper on line pump (r2367)
assert H2 column density level 0  4  16.77 error 0.15
// 
// >>chng 05 sep 08, from 17.31 to 17.23 first run in 2 mo
// >>chng 07 dec 04, from 17.23 to 17.08, update H-H2 coll rates
// >>chng 07 dec 31, from 17.08 to 17.24 additional vJ H-H2 rates
assert H2 column density level 0  5  17.24 error 0.1
// 
// >>chng 05 jun 21, from 16.39 to 16.44, chng cr, grn deex
// >>chng 05 sep 08, from 16.44 to 16.32 first run in 2 mo
// >>chng 07 apr 10, from 16.32 to 16.38, ORNL H2-He collisions
// >>chng 07 dec 04, from 16.38 to 16.32, update H-H2 coll rates
// >>chng 08 feb 10, from 16.32 to 16.36, chng CR heat efficiency
// >>chng 08 mar 17, from 19.36 to 19.32 line overlap??, not run recently
// >>chng 08 dec 13, from 16.32 to 16.28, merging newsolvers branch
assert H2 column density level 0  6  16.28 error 0.1
// 
// >>chng 07 dec 04, from 16.68 to 16.27, update H-H2 coll rates
// >>chng 07 dec 31, from 16.27 to 16.59 additional vJ H-H2 rates
assert H2 column density level 0  7  16.59 error 0.15
// 
// >>chng 05 jun 21, from 15.59 to 15.64, chng cr, grn deex
// >>chng 05 sep 08, from 15.64 to 15.51 first run in 2 mo
// >>chng 07 apr 10, from 15.51 to 15.66, ORNL H2-He collisions
// >>chng 07 dec 04, from 15.66 to 15.50, update H-H2 coll rates
// >>chng 07 dec 31, from 15.50 to 15.63 additional vJ H-H2 rates
// >>chng 08 mar 17, from 15.63 to 15.59 line overlap??, not run recently
// >>chng 08 dec 13, from 15.59 to 15.54, merging newsolvers branch
assert H2 column density level 0  8  15.54 error 0.1
// 
// >>chng 07 dec 04, from 16.08 to 15.52, update H-H2 coll rates
// >>chng 07 dec 31, from 15.52 to 16.00 additional vJ H-H2 rates
assert H2 column density level 0  9  16.00 error 0.15
// 
// >>chng 05 jun 21, from 14.49 to 14.54, chng cr, grn deex
// >>chng 05 sep 08, from 14.54 to 14.42 first run in 2 mo
// >>chng 07 apr 10, from 14.42 to 14.24, ORNL H2-He collisions
// >>chng 07 dec 04, from 14.24 to 14.30, update H-H2 coll rates
// >>chng 08 apr 30, from 14.30 to 14.24 H, He topoff change
assert H2 column density level 1  0  14.24 error 0.1
// 
// >>chng 05 jun 21, from 15.44 to 15.31, chng cr, grn deex
// >>chng 05 sep 08, from 15.31 to 15.22 first run in 2 mo
// >>chng 07 apr 10, from 15.22 to 15.18, ORNL H2-He collisions
// >>chng 07 dec 04, from 15.36 to 15.23, update H-H2 coll rates
// >>chng 08 sep 25, from 15.23 to 15.18, remove damper on line pump (r2367)
assert H2 column density level 1  1  15.18 error 0.1
// 
// >>chng 05 sep 08, from 14.96 to 14.86 first run in 2 mo
// >>chng 07 dec 04, from 14.86 to 14.82, update H-H2 coll rates
// >>chng 08 sep 25, from 14.82 to 14.77, remove damper on line pump (r2367)
assert H2 column density level 1  2  14.77 error 0.1
// 
// >>chng 05 jun 21, from 15.41 to 15.31, chng cr, grn deex
// >>chng 05 sep 08, from 15.31 to 15.22 first run in 2 mo
// >>chng 07 dec 04, from 15.22 to 15.37, update H-H2 coll rates
// >>chng 07 dec 04, from 15.37 to 15.16, update H-H2 coll rates
assert H2 column density level 1  3  15.16 error 0.1
// >>chng 08 dec 08, from 799 to 810, upper limit -> equals (r2515)
// >>chng 08 dec 13, from 810 to 828, merging newsolvers branch
assert nzone 828 error 0.01
//
c h2_th85orion.in

This is the Tielens and Hollenbach (1985a, b) standard model of
the Orion photodissociation region (PDR).  Specifically,
this is my attempt at their Table 2 of paper 2, ApJ 291,  p749.
The case b command appears because the Lyman lines are
vastly optically thick in this environment. 
If the command is removed the Lyman lines will be optically thin,
which will result in fast fluorescent excitation of the
(nearly totally neutral) hydrogen atom.

// >>refer      model   pdr     Tielens, A. G. G. M., & Hollenbach, D. 1985a, ApJ, 291, 722
// >>refer      model   pdr     Tielens, A. G. G. M., & Hollenbach, D. 1985b, ApJ, 291, 746