Table 1. Binding energies of H2O and CO2 at the Ca-rich anorthite (001) surface.
System | BEg | BE1 | BE2 | BE3 | CEa | BE4 |
---|---|---|---|---|---|---|
H2O | −103 | −97 | −82 | −15 | −57 | −40 |
CO2 | −34 | −17 | −13 | −4 | −7 | −10 |
See text for definitions. Energies are in kJ/mol.
aExperimental values of heat of vaporization of H2O and CO2 at 221 K are 47.048 and 15.049 kJ/mol, respectively.