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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 a
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 Hz
Activation barrier for desorption erg, non null for chemisorption
Desorption energy erg, for either the physisorbed (=) chemisorbed (=)
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 s−1,
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 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 < 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 = σdiskσsphere
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

Notes. The index i means that the variable applies to species i. Depending on the process, the species i is a gas-phase, physisorbed, or chemisorbed species.

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