Cloudy & Associates

Commit 1ff800d2 authored by Gary J Ferland's avatar Gary J Ferland
Browse files

Gari removes redundant reactions from mole_deuteriaum.dat

We had not tested master with D turned on. Even the primordial composition
set does not include D. Gargi ran the tsuite suite with D enabled and
found converge aborts and botched monitors on master. She carefully reviewed
the chemistry data and found that many D reactions were duplicated.
She fixed that and I am committing that one set of changes to
this branch.

I will propose merging it to master with D left off. The corrected
D chemistry will not be used by default, just as it is right now.
We will then merge from master with these changes to her HDgargi branch
and continue other HD development there.

There is no functional change in master as a result of this
set of changes, since D is not turned on by default.
parent 07b3b2f3
# Chemistry relevant to early universe. Taken from Table 1 of Puy & Signore 1998
H+,D=>D+,H:hmrate:1.00E-09:0:41 # Watson (1976)
H,D=>HD,PHOTON:hmrate:1.00E-25:0:0 # Lepp and Shull (1984)
D+,H2=>H+,HD:hmrate:1.70E-09:0:0 # Smith et al. (1982)
D+,H=>HD+,PHOTON:hmrate:1.80E-18:1.5:0 # Dalgamo and Lepp (1987)
H+,D=>HD+,PHOTON:hmrate:1.80E-18:1.5:0 # Dalgarno and Lepp (1987)
HD+,H=>H+,HD:hmrate:6.40E-10:0:0 # Karpas et al. (1979)
HD+,e-=>D,H:hmrate:1.39E-08:-0.29:0 # Nakashima et al. (1987)
D+,H=>H+,D:hmrate:1.00E-09:0:0 # Watson (1976)
H+,HD=>D+,H2:hmrate:1.70E-10:0:462 # Smith et al. (1982)
H2+,D=>D+,H2:hmrate:6.40E-10:0:0 # Karpas et al. (1979)
D,H2=>HD,H:hmrate:1.09E-18:0:0 # Zhang and Miller (1989)
#H+,D=>D+,H:hmrate:1.00E-09:0:41 # Watson (1976) #11Aug2022, Duplicate reaction, GS
#H,D=>HD,PHOTON:hmrate:1.00E-25:0:0 # Lepp and Shull (1984) #11Aug2022, Duplicate reaction, GS
#D+,H2=>H+,HD:hmrate:1.70E-09:0:0 # Smith et al. (1982) #11Aug2022, Duplicate reaction, GS
#D+,H=>HD+,PHOTON:hmrate:1.80E-18:1.5:0 # Dalgamo and Lepp (1987) #11Aug2022, Duplicate reaction, GS
#H+,D=>HD+,PHOTON:hmrate:1.80E-18:1.5:0 # Dalgarno and Lepp (1987) #11Aug2022, Duplicate reaction, GS
#HD+,H=>H+,HD:hmrate:6.40E-10:0:0 # Karpas et al. (1979) #11Aug2022, Duplicate reaction, GS
#HD+,e-=>D,H:hmrate:1.39E-08:-0.29:0 # Nakashima et al. (1987) #11Aug2022, Duplicate reaction, GS
#D+,H=>H+,D:hmrate:1.00E-09:0:0 # Watson (1976) #11Aug2022, Duplicate reaction, GS
#H+,HD=>D+,H2:hmrate:1.70E-10:0:462 # Smith et al. (1982) #11Aug2022, Duplicate reaction, GS
#H2+,D=>D+,H2:hmrate:6.40E-10:0:0 # Karpas et al. (1979) #11Aug2022, Duplicate reaction, GS
#D,H2=>HD,H:hmrate:1.09E-18:0:0 # Zhang and Miller (1989) #11Aug2022, Duplicate reaction, GS
HD,PHOTON=>H,D:hd_photodissoc:1.:0:0 # Latter and Black (1991)
HD+,PHOTON=>H+,D:th85rate:5.7e-10:0.:1.9 # Von Busch and Dunn (1972)
HD+,PHOTON=>D+,H:th85rate:5.7e-10:0.:1.9 # Von Busch and Dunn (1972)
#
D+,e-=>D,PHOTON:hmrate:3.50E-12:-0.7:0 # Prasad and Huntress (1980)
#D+,e-=>D,PHOTON:hmrate:3.50E-12:-0.7:0 # Prasad and Huntress (1980) #11Aug2022, Duplicate reaction, GS
D,PHOTON=>D+,e-:th85rate:1.0e-15:0:0 # value is a guess
#
# Most of the below come from Gay et al. 2011
#
#
#
D+,e-=>D,PHOTON:hmrate:3.60e-12:-7.50e-01:0.00e+00 # Gay et al. 2011, reaction 6 (a)
H+,D=>H,D+:hmrate:1.00e-09:0.00e+00:4.10e+01 # Gay et al. 2011, reaction 8 (a)
H,D+=>H+,D:hmrate:1.00e-09:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 9 (a)
H+,D=>H,D+:hmrate:1.00e-09:0.00e+00:4.10e+01 # Gay et al. 2011, reaction 8 (a)
#H,D+=>H+,D:hmrate:1.00e-09:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 9 (a) #crash #commented out on 20thsept,2022
D,e-=>D-,PHOTON:hmrate_exo:3.00e-16:0.95e+00:9.32e+03 # Gay et al. 2011, reaction 10 ()
D+,D-=>D,D:hmrate_exo:1.96e-07:-4.87e-01:-2.93e+04 # Gay et al. 2011, reaction 12 ()
D+,H-=>D,H:hmrate_exo:1.61e-07:-4.87e-01:-2.93e+04 # Gay et al. 2011, reaction 13 ()
......@@ -34,6 +36,7 @@ H,D+=>HD+,PHOTON:hmrate:3.90e-19:1.80e+00:-2.00e+01 # Gay et al. 2011, reacti
D,H+=>HD+,PHOTON:hmrate:3.90e-19:1.80e+00:-2.00e+01 # Gay et al. 2011, reaction 62 (a)
H2+,D=>HD+,H:hmrate_exo:1.07e-09:6.20e-02:4.14e+04 # Gay et al. 2011, reaction 64 ()
HD+,e-=>H,D:hmrate:3.40e-09:-0.40e+00:0.00e+00 # Gay et al. 2011, reaction 65 (a)
#
HD+,H=>HD,H+:hmrate:6.40e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 66 (a)
HD+,H=>H2+,D:hmrate:1.00e-09:0.00e+00:1.54e+02 # Gay et al. 2011, reaction 67 (a)
HD+,H2=>H3+,D:hmrate:1.05e-09:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 68 (a)
......@@ -46,10 +49,11 @@ HD,H=>H2,D:hmrate:7.50e-11:0.00e+00:4.24e+03 # Gay et al. 2011, reaction 74 (
D,H-=>HD,e-:hmrate:1.50e-09:-0.10e+00:0.00e+00 # Gay et al. 2011, reaction 75 (a)
D-,H=>HD,e-:hmrate:1.50e-09:-0.10e+00:0.00e+00 # Gay et al. 2011, reaction 76 (a)
He+,D=>HeD+,PHOTON:hmrate_exo:5.00e-16:-0.37e+00:8.76e+04 # Gay et al. 2011, reaction 77 ()
He,D+=>HeD+,PHOTON:hmrate_exo:1.00e-19:-0.24e+00:4.00e+03 # Gay et al. 2011, reaction 78 ()
He,D+=>HeD+,PHOTON:hmrate_exo:1.00e-19:-0.24e+00:4.00e+03 # Gay et al. 2011, reaction 78 ()
He,D+=>HeD+,PHOTON:hmrate:1.50e-20:0.00e+00:2.00e+02 # Gay et al. 2011, reaction 80 (a)
HeH+,D=>HeD+,H:hmrate:1.00e-09:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 81 (a)
HeD+,H=>HeH+,D:hmrate:8.00e-10:0.00e+00:4.68e+02 # Gay et al. 2011, reaction 82 (a)
#
HeD+,H=>HD+,He:hmrate_exo:9.10e-10:0.13e+00:1.48e+04 # Gay et al. 2011, reaction 83 ()
HeH+,D=>HD+,He:hmrate_exo:8.50e-10:0.13e+00:1.48e+04 # Gay et al. 2011, reaction 84 ()
HeD+,e-=>He,D:hmrate:3.00e-08:-0.47e+00:0.00e+00 # Gay et al. 2011, reaction 85 (a)
......@@ -67,6 +71,7 @@ H3+,D=>H2D+,H:hmrate:1.00e-09:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 9
H2+,D=>H2,D+:hmrate:6.40e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 97 (a)
HD,H2+=>H2D+,H:hmrate:1.05e-09:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 98 (a)
HD,H2+=>H3+,D:hmrate:1.05e-09:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 99 (a)
#
H2D+,H=>H3+,D:hmrate:1.00e-09:0.00e+00:5.98e+02 # Gay et al. 2011, reaction 100 (a)
H2D+,H2=>H3+,HD:hmrate:2.46e-10:0.00e+00:2.26e+02 # Gay et al. 2011, reaction 101 (a)
HeD+,H2=>H2D+,He:hmrate_exo:1.24e-09:0.24e+00:1.48e+04 # Gay et al. 2011, reaction 102 ()
......@@ -82,6 +87,7 @@ D+,HD=>D2+,H:hmrate:1.93e-08:-1.10e+00:4.43e+04 # Gay et al. 2011, reaction 1
H+,D2=>HD+,D:hmrate:1.78e-08:-1.05e+00:4.20e+04 # Gay et al. 2011, reaction 151 (a)
H+,D2=>D2+,H:hmrate:4.19e-09:-4.92e-01:4.04e+04 # Gay et al. 2011, reaction 152 (a)
H+,D2=>D+,HD:hmrate:1.32e-08:-7.24e-01:1.49e+03 # Gay et al. 2011, reaction 153 (a)
#
H+,D2=>D+,H,D:hmrate:4.51e-10:-1.59e-01:7.95e+04 # Gay et al. 2011, reaction 154 (a)
HD+,D2=>HD2+,D:hmrate_exo:1.12e-09:2.11e-01:1.61e+04 # Gay et al. 2011, reaction 155 ()
HD+,D2=>D3+,H:hmrate_exo:5.65e-10:1.05e-01:1.60e+04 # Gay et al. 2011, reaction 156 ()
......@@ -92,15 +98,15 @@ H3+,D2=>HD2+,H2:hmrate:1.02e-09:8.13e-05:-1.89e-01 # Gay et al. 2011, reactio
D,D+=>D2+,PHOTON:hmrate:1.22e-19:1.80e+00:-2.00e+01 # Gay et al. 2011, reaction 161 (a)
D+,D-=>D2+,e-:hmrate:9.33e-10:-0.40e+00:0.00e+00 # Gay et al. 2011, reaction 163 (a)
D2+,e-=>D,D:hmrate:1.20e-08:-0.40e+00:0.00e+00 # Gay et al. 2011, reaction 164 (a)
D2+,H=>D2,H+:hmrate:5.84e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 165 (a)
D2+,H=>HD,D+:hmrate:5.84e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 166 (a)
D2+,D=>D2,D+:hmrate:4.53e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 167 (a)
HD+,H=>H2,D+:hmrate:6.03e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 168 (a)
HD+,D=>D2,H+:hmrate:4.77e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 169 (a)
HD+,D=>HD,D+:hmrate:4.77e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 170 (a)
D2+,H-=>D2,H:hmrate:1.40e-07:-0.50e+00:0.00e+00 # Gay et al. 2011, reaction 171 (a)
D2+,H-=>HD,D:hmrate:1.40e-07:-0.50e+00:0.00e+00 # Gay et al. 2011, reaction 172 (a)
H2+,D-=>HD,H:hmrate:1.40e-07:-0.50e+00:0.00e+00 # Gay et al. 2011, reaction 173 (a)
#D2+,H=>D2,H+:hmrate:5.84e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 165 (a)
#D2+,H=>HD,D+:hmrate:5.84e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 166 (a)
#D2+,D=>D2,D+:hmrate:4.53e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 167 (a)
#HD+,H=>H2,D+:hmrate:6.03e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 168 (a)
#HD+,D=>D2,H+:hmrate:4.77e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 169 (a)
#HD+,D=>HD,D+:hmrate:4.77e-10:0.00e+00:0.00e+00 # Gay et al. 2011, reaction 170 (a)
#D2+,H-=>D2,H:hmrate:1.40e-07:-0.50e+00:0.00e+00 # Gay et al. 2011, reaction 171 (a)
#D2+,H-=>HD,D:hmrate:1.40e-07:-0.50e+00:0.00e+00 # Gay et al. 2011, reaction 172 (a)
#H2+,D-=>HD,H:hmrate:1.40e-07:-0.50e+00:0.00e+00 # Gay et al. 2011, reaction 173 (a)
H2+,D-=>H2,D:hmrate:1.40e-07:-0.50e+00:0.00e+00 # Gay et al. 2011, reaction 174 (a)
D2+,D-=>D2,D:hmrate:1.40e-07:-0.50e+00:0.00e+00 # Gay et al. 2011, reaction 175 (a)
HD+,H-=>HD,H:hmrate:1.40e-07:-0.50e+00:0.00e+00 # Gay et al. 2011, reaction 176 (a)
......
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment