Estimation of Lennard‐Jones (6,12) Pair Potential Parameters from Gas Solubility Data
The Lennard‐Jones (6,12) pair potential parameters for solvents can be calculated from gas solubility data by using the scaled particle theory to calculate the work of cavity formation. Values of the hard sphere diameter σ1 and the energy parameter ε1/k at 298.15°K and 1 atm pressure are reported for 39 liquids, polar as well as nonpolar. These parameters are discussed in relation to values determined by other methods.
& Battino, R.
(1971). Estimation of Lennard‐Jones (6,12) Pair Potential Parameters from Gas Solubility Data. The Journal of Chemical Physics, 55 (8), 4012-4017.