Photodesorption of H2O, HDO, and D2O ices
The data listed in this electronic table are the results of molecular dynamics simulations of water ice photodissociation and subsequent desorption mechanisms. Upon photoexcitation and dissociation of a water molecule within an ice mantle frozen onto an interstellar or circumstellar dust grain, there are several potential chemical outcomes, the probabilities for which are dependent upon ice temperature and ice monolayer.
Here, we list the probabilities per monolayer as a function of temperature for each outcome following the dissociation of a H2O, HDO, or D2O molecule in water (H2O) ice. DOH refers to the dissociation of HDO into D + OH and HOD to the dissocation of HDO into H + OD; hence, the data contain probabilies for 4 dissociation events. These data have been compiled from the raw simulation data which considers around 6000 trajectories or initial conditions.
The reference for this work is:
"Photodesorption of H2O, HDO, and D2O ice and its impact on
fractionation", Arasa, C., Koning, J., Kroes, G,-J., Walsh,
C., & van Dishoeck, E. F.
Data Tables
ReadMe: Detailed description of the data tables.
outcomes.dat: Probabilities as function of monolayer and ice temperature for each possible outcome following the dissociation of a H2O, HDO, or D2O molecule in water (H2O) ice.
table2.dat: Probabilities and associated errors as a function of monolayer and ice temperature for H or D atom desorption following the dissociation of a H2O, HDO,or D2O molecule in water (H2O) ice.
table4.dat: Probabilities and associated errors as a function of monolayer and ice temperature for OH or OD desorption following the dissociation of a H2O, HDO,or D2O molecule in water (H2O) ice.
table5.dat: Probabilities and associated errors as a function of monolayer and ice temperature for XYO (X,Y=H,D) desorption and H2O desorption via kick out following the dissociation of a XYO molecule in water (H2O) ice.