H2 - H2 collisional dissociation (trac #363)

reported by: @CloudyLex

Title:  
State-specific Dissociation Rates for H2(v, j) + H2(v?, j?)
Authors:    
Mandy, M. E.
Affiliation:    
AA(Program in Chemistry, Univ
ersity of Northern British Columbia, Prince George, 
BC, V2N 4Z9, Canada)
Publication:    
The Astrophysical Journal, Volume 827, Issue 1, article id. 62, pp. (2016). (ApJ Homepage)
Publication Date:   
08/2016
Origin: 
IOP
Astronomy Keywords: 
ISM: molecules, molecular data, molecular processes
DOI:    
10.3847/0004-637X/827/1/62
Bibliographic Code: 
2016ApJ...827...62M
Abstract

State-specific rate coefficients for the dissociation of H2 as the result of 
collisions with H2 were calculated for all combinations of (v, j) with an internal 
energy below 1 eV. Full-dimensional quasiclassical trajectories were calculated 
using the BMKP2 interaction potential with a minimum of 80,000 trajectories at 
each translational energy. Additional large batches of trajectories were carried 
out to calculate the cross sections near the threshold to dissociation to attain the 
desired precision of the rate coefficients. A piecewise linear excitation function 
was used to calculate the rate coefficient between 100 and 100,000 K. The 
resulting state-specific rate coefficients, ?, were parametrized as a function of 
temperature over the range 600–10,000 K using: {{log}}10 ? (t)=a+{bz}+{{cz}}2-
d?ft(\displaystyle \frac{1}{t}-1\
ight) where t=T/4500 K and z={{log}}10 t. The 
values of the resulting rate coefficients were sensitive to the internal energy of 
both molecules, with initial vibrational energy having a slightly greater effect than 
rotational energy. This effect diminished as temperature increased.

Migrated from https://www.nublado.org/ticket/363

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    "status": "new",
    "changetime": "2019-02-04T13:02:49Z",
    "_ts": "1549285369825011",
    "description": "{{{\nTitle:\t\nState-specific Dissociation Rates for H2(v, j) + H2(v?, j?)\nAuthors:\t\nMandy, M. E.\nAffiliation:\t\nAA(Program in Chemistry, Univ\nersity of Northern British Columbia, Prince George, \nBC, V2N 4Z9, Canada)\nPublication:\t\nThe Astrophysical Journal, Volume 827, Issue 1, article id. 62, pp. (2016). (ApJ Homepage)\nPublication Date:\t\n08/2016\nOrigin:\t\nIOP\nAstronomy Keywords:\t\nISM: molecules, molecular data, molecular processes\nDOI:\t\n10.3847/0004-637X/827/1/62\nBibliographic Code:\t\n2016ApJ...827...62M\nAbstract\n\nState-specific rate coefficients for the dissociation of H2 as the result of \ncollisions with H2 were calculated for all combinations of (v, j) with an internal \nenergy below 1 eV. Full-dimensional quasiclassical trajectories were calculated \nusing the BMKP2 interaction potential with a minimum of 80,000 trajectories at \neach translational energy. Additional large batches of trajectories were carried \nout to calculate the cross sections near the threshold to dissociation to attain the \ndesired precision of the rate coefficients. A piecewise linear excitation function \nwas used to calculate the rate coefficient between 100 and 100,000 K. The \nresulting state-specific rate coefficients, ?, were parametrized as a function of \ntemperature over the range 600\u201310,000 K using: {{log}}10 ? (t)=a+{bz}+{{cz}}2-\nd?ft(\\displaystyle \\frac{1}{t}-1\\\night) where t=T/4500 K and z={{log}}10 t. The \nvalues of the resulting rate coefficients were sensitive to the internal energy of \nboth molecules, with initial vibrational energy having a slightly greater effect than \nrotational energy. This effect diminished as temperature increased.\n}}}",
    "reporter": "gary",
    "cc": "",
    "resolution": "",
    "time": "2016-08-26T17:46:33Z",
    "component": "atomic/molecular data base",
    "summary": "H2 - H2 collisional dissociation",
    "priority": "good to do",
    "keywords": "",
    "version": "trunk",
    "milestone": "no milestone",
    "owner": "nobody",
    "type": "enhancement"
}

cloudy-astrophysics / bug-tracker-migration-test

H2 - H2 collisional dissociation (trac #363) #365