The affinity of amphiphiles to the water/air surface
was modeled
by adapting Eberhart’s equation. The proposed method successfully
describes surface tension for all amphiphilic structures, including
alkanols, carboxylic acids, nonionic, ionic, and Gemini surfactants.
The model is more effective than conventional analysis for amphiphiles
with multiple ionic states. The prediction was consistently validated
at different temperatures and nonaqueous solvents. The modeling results
show a linear correlation between surface affinity and hydrophobicity/hydrophilicity.
For alkanols, the affinity increment is 2.84 kJ/mol per CH
2
group, the same as the reported hydrophobic energy from monomer
to aggregate for nonionic surfactants. For carboxylic acids, the affinity
increment per CH
2
group is 3.18 kJ/mol, incorporating the
degree of acid dissociation. The affinity–hydrophilicity correlation
is approximately −0.22 kJ/mol per oxyethylene group. The affinity
constant can be obtained for all classes of amphiphiles to clarify
the relationship between the molecular structure and surface activity.