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Table F.1
Variables used in the manuscript.
Variable | Symbol | Units and remarks |
---|---|---|
Species i mass | mi | gram |
Dust grain radius squared | r2 | cm2, input parameter |
Dust number density | nd | cm−3 |
Number density of gas-phase species i | ni | cm−3 |
Surface density of adsorption sites | Nsurf | 1.5 × 1015 cm−2, input parameter |
Number of adsorption sites per ice monolayer | nbsite | no units, nbsite = 4πNsurfr2 |
Surface site cross-section | σsurf,site | σsurf,site = 1∕Nsurf cm2 |
Total number density of chemisorption sites | nsurf,chem | nsurf,chem = nbsitend = 4πNsurfr2nd cm−3 |
Number density of physisorbed species i | n#,i | cm−3 |
Number density of chemisorbed species i | n*,i | cm−3 |
Number density of unoccupied chemisorption sites | n* | n*= nsurf,chem − ∑in*,i cm−3 |
Number density of chemically active physisorbed species i | ![]() |
cm−3 |
Number of chemically active physisorption layers | Nact | no units, an input parameter with typical value 1–10 |
Total number of density of physisorbed species (ice) | n#,tot | n#,tot = ∑in#,i cm−3 |
Number of physisorbed ice layers per grain | Nlayer | no units, Nlayer = n#,tot∕(nd nbsite) |
Fraction of available adsorption sites | favail | 1 for physisorption |
for chemisorption = n*∕nsurf,chem if Nlayer < 1, = 0 if Nlayer ≥1 | ||
Gas temperature | Tg | K |
Dust temperature | Td | K |
General activation barrier width | aÅ | Å |
Activation barrier | Eact | K |
Species mass in atomic mass units | mamu | amu |
General adsorption rate | ![]() |
s−1 |
General sticking coefficient | Si | no units, between 0 and 1 |
General Bell’s formula | QBell | no units |
Physisorption rate | ![]() |
s−1 |
Physisorption sticking coefficient | Sphys | no units, between 0 and 1 |
Species i thermal speed | ![]() |
cm s−1 |
Chemisorption activation energy | ![]() |
erg |
Chemisorption rate | ![]() |
s−1 |
Chemisorption Bell’s function | ![]() |
no units |
Chemisorption sticking coefficient | Schem | no units, between 0 and 1 |
Chemisorption activation barrier width | ![]() |
cm, assuming a rectangular-shaped barrier |
Desorption energy | ![]() |
erg |
Binding energy | ![]() |
erg, physisorption and chemisorption |
Desorption activation energy | ![]() |
erg, non-null for desorption from chemisorption sites |
Surface vibration frequency | ν0,i | ![]() |
Activation barrier for desorption | ![]() |
erg, non null for chemisorption |
Desorption energy | ![]() |
erg, for either the physisorbed (=![]() ![]() |
Total desorption rate from a physisorption site | ![]() |
s−1 |
Thermal desorption rate from a physisorption site | ![]() |
s−1 |
Photodesorption rate from a physisorption site | ![]() |
s−1 |
Photodesorption yield | Yi | no units |
UV flux enhancement w.r.t. to the ISM value | χFDraine | 1 χFDraine =1.9921 × 108 photons cm−2 s−1 |
Cosmic-Ray induced desorption rate from a physisorption site | ![]() |
s−1 |
Activation barrier width for desorption from a chemisorption site | ![]() |
cm |
Total desorption rate from a chemisorption site | ![]() |
s−1 |
Thermal desorption from a chemisorption site | ![]() |
s−1 |
Photodesorption rate from a chemisorption site | ![]() |
s−1 |
Cosmic-ray induced desorption from a chemisorption site | ![]() |
≃0 s−1 |
Fraction of time a grain remains at 70 K up upon a cosmic-ray hit | f(70K) | no units |
Thermal desorption rate for a dust grain at 70 K | ![]() |
s−1 |
Thermal diffusion rate for a dust grain at 70 K | ![]() |
s−1 |
Thermal surface diffusion rate | ![]() |
s−1, includes quantum tunnelling effect |
Cosmic-Ray induced surface diffusion rate | ![]() |
s−1 |
Bell’s formula for the diffusion processes | ![]() |
no units |
Diffusion activation energy | ![]() |
erg |
Diffusion activation barrier width | ![]() |
cm |
Total surface diffusion rate | ![]() |
![]() ![]() |
Activation barrier width for diffusion | ![]() |
cm |
Hydrogen diffusion barrier between physisorption sites | ![]() |
erg |
Hydrogen diffusion barrier between chemisorption sites | ![]() |
erg |
Deuterium diffusion barrier between physisorption sites | ![]() |
erg |
Deuterium diffusion barrier between chemisorption sites | ![]() |
erg |
Physisorbed hydrogen desorption energy | ![]() |
erg |
Physisorbed deuterium desorption energy | ![]() |
erg |
Chemisorbed hydrogen desorption energy | ![]() |
erg |
Chemisorbed deuterium desorption energy | ![]() |
erg |
Surface reaction rate coefficient between species i and j | kij | cm3 s−1 |
Surface reaction probability | κij | no units, between 0 and 1 |
Surface reaction activation barrier | ![]() |
erg |
Surface reaction activation barrier width | ![]() |
cm |
Hydrogen thermal desorption rate from a physisorption site | ![]() |
s−1 |
Hydrogen diffusion rate between physisorption sites | ![]() |
s−1 |
Hydrogen transfer rate from a physisorption to a chemisorption site | ![]() |
s−1 |
Activation barrier energy for H transfer from a physisorption to a chemisorption site | ![]() |
erg |
Bell’s function for H transfer from a physisorption to a chemisorption site | ![]() |
no units |
Hydrogen transfer rate from a chemisorption to a physisorption site | ![]() |
s−1 |
Eley-Rideal H2 formation rate (physisorption site) | ![]() |
s−1 |
Eley-Rideal H2 formation rate (chemisorption site) | ![]() |
s−1 |
H2 formation rate after encounter between a physisorbed and a chemisorption H-atom | RH #, *H# | cm3 s−1 |
PAH effective radius | aPAH | cm |
PAH number of carbon atoms | NC | no units |
PAH number of hydrogen atoms | NH | no units |
PAH ionisation potential | IPPAH | erg |
Hydrogenated PAH hydrogen association rate coefficient | ![]() |
cm3 s−1 |
Hydrogen association on PAH-Hx activation energy | ![]() |
erg |
Hydrogenated PAH hydrogen abstraction rate coefficient | ![]() |
cm3 s−1 |
Effective temperature upon absorption of a photon of energy hν | Te | K |
PAH internal temperature | TPAH | K |
Unimolecular PAH thermal dissociation rate at Te | ![]() |
s−1 |
Hydrogen binding energy on PAH-Hx | E0 | erg, ~1–2 eV |
Yield for PAH-Hx photodissociation | ![]() |
no units, = 0 for hν < E0 |
Typical PAH IR photon emission rate | RIR | ~1 s−1 |
Thermal unimolecular dissociation rate | ![]() |
s−1 |
Hydrogen association rate coefficient for (hydrogenated) PAHs cations | ![]() |
cm3 s−1 |
Activation energy for hydrogen association for PAH cations | ![]() |
erg |
Hydrogenated ionised PAH hydrogen abstraction rate coefficient | ![]() |
cm3 s−1 |
Energetic particle induced photoionisation rate coefficient | kpi,MeV | cm3 s−1 |
Energetic particle induced photodetachment rate coefficient | kpd,CR | cm3 s−1 |
Singly-ionised PAH cations electron recombination rate coefficient | ker | cm3 s−1 |
Multiply-ionised PAH cations electron recombination rate coefficient | ![]() |
cm3 s−1 |
PAH shape correction factor | ϕPAH | ϕPAH = σdisk ∕σsphere |
PAH electron attachment rate coefficient | kea | cm3 s−1 |
Electron sticking coefficient on PAHs | SPAH (e −) | no units |
Mutual neutralisation rate coefficient | kmn | cm3 s−1 |
Electron collisional detachment rate coefficient | knd | cm3 s−1 |
Neutral PAH charge-exchange reactions | kce,0 | cm3 s−1 |
Charged PAH charge-exchange reactions | kce,n | cm3 s−1 |
Double charge transfer reaction | kdi | cm3 s−1 |
PAH adsorption/desorption energy | EPAH,des | cm3 s−1 |
Total H2 formation rate according to Cazaux & Tielens (2002, 2004) | ![]() |
s−1 |
H2 recombination efficiency | ɛ | Cazaux & Tielens (2002) |
Total H2 formation rate according to Jura (1974, 1975a,b) | ![]() |
s−1 |
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