Table 1
Desorption and diffusion energy barriers for CO and CO2 on the proton-disordered and the ordered Fletcher phase of ice Ih.
Substrate | Adsorbate | Binding sites | E bind a | E diff | D 0 | E diff,x | E diff,y | f = Ediff/Ebind |
(meV) | (meV) | (cm2 s-1) | (meV) | (meV) | ||||
|
||||||||
Disordered | CO | 189 | 143 | 49 | 0.051 | 49 | 49 | 0.34 |
(frozen) | CO2 | 181 | 299 | 127 | 0.018 | 146 | 126 | 0.42 |
|
||||||||
Fletcher | CO | 179 | 133 | 39 | 0.025 | 41 | 38 | 0.29 |
(frozen) | CO2 | 169 | 291 | 110 | 0.13 | 150 | 110 | 0.38 |
|
||||||||
Fletcher | CO | 182 | 137 | 42 | 0.030 | 42 | 41 | 0.31 |
(free) | CO2 | 178 | 323 | 122 | 0.23 | 161 | 122 | 0.38 |
|
||||||||
ASW (frozen)b | CO (1+3)c | 96 | 147 | 63 | 0.032 | ... | ... | 0.42 |
ASW (frozen)b | CO (1+6)c | 86 | 134 | 48 | 0.009 | ... | ... | 0.36 |
Notes. The quantities D0 and Ediff are defined in Eq. (2).
Binding energies are time-averaged over the kinetic Monte Carlo runs at temperatures of 25 and 70 K for CO and CO2 .
Amorphous solid water (ASW) values are calculated from simulations published in Karssemeijer et al. (2014b) on substrate . Values are also at T = 25 K.
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