  noindent Henry's law constants of the solutes methane, nitrogen, oxygen and
carbon dioxide in the solvent ethanol are predicted by molecular simulation.
The molecular models for the solutes are taken from previous work. For the
solvent ethanol, a new rigid anisotropic united atom molecular model based on
Lennard-Jones and Coulombic interactions is developed. It is adjusted to
experimental pure component saturated liquid density and vapor pressure data.
Henry's law constants are calculated by evaluating the infinite dilution
residual chemical potentials of the solutes from 273 to 498K with Widom's test
particle insertion. The prediction of Henry's Law constants without the use of
binary experimental data on the basis of the Lorentz-Berthelot combining rule
agree well with experimental data, deviations are 20%, except for carbon
dioxide for which deviations of 70% are reached. Quantitative agreement is
achieved by using the modified Lorentz-Berthelot combining rule which is
adjusted to one experimental mixture data point.
