Composition of the Water Dimer and the Heterodimers of Water with N2 and O2 in Earth's Atmosphere.

ABSTRACT

The mole fractions χ and number concentrations n of the water dimer and the heterodimers H2O-N2 and H2O-O2 in Earth's atmosphere are reported up to 20 km. The water dimer data is obtained from published values of the equilibrium constant based on the water equation of state. The mixed equilibrium constants for the heterodimers are obtained from the respective second virial coefficients using an approach introduced by Stogryn and Hirschfelder that extracts the components pertaining to pairwise interactions producing bound and metastable dimers. From these calculations, χ and n for the water dimer and the (H2O)(N2) and (H2O)(O2) heterodimers at standard sea level are 1.79(6) × 10-5, 4.77(12) × 10-5 and 9.90(5) × 10-6 and 4.55(15) × 1014, 1.23(3) × 1016 and 2.56(1) × 1015, respectively. Analytical expressions are provided for these quantities for altitudes between 0-20 km and temperatures from 200-300 K. Sea level values of χ and n are given for two specific locations.