Henry’s Law Constant of Nitrogen, Oxygen, and Argon in Ternary Aqueous Alcoholic Solvent Mixtures

Henry’s law constant data
for nitrogen, oxygen, and argon
in the ternary liquid mixture water + methanol + ethanol as well as
its pure and binary solvent subsystems are reported. The composition
and temperature dependence of the Henry’s law constant of the
air components in these solutions is investigated by Monte Carlo simulation.
The underlying molecular force field models are based on the modified
Lorentz–Berthelot combining rules that contain one binary interaction
parameter, which is mainly taken from preceding work. Predictions
from the molecular models for the pure and binary solutions are convincingly
compared to experimental literature data, where available. This finding
gives confidence that the Henry’s law constant for the ternary
solution is predicted appropriately. On the basis of an extensive
molecular simulation data set, correlations are established for the
Henry’s law constant between 274.15 and 473.15 K.