Reply to "Comment on 'Simple improvements to classical bubble nucleation models' "

Area of Science:

• Thermodynamics
• Physical Chemistry
• Computational Physics

Background:

• The Tolman theory provides a classical description of surface tension for curved interfaces.
• Accurate modeling of curved interface thermodynamics is crucial in various scientific fields.

Purpose of the Study:

• To evaluate the applicability of higher-order Helfrich corrections for modeling surface tension of curved interfaces.
• To compare the Helfrich correction with the classical Tolman description using simulation data.

Main Methods:

• Molecular dynamics simulations were performed to generate data for curved interfaces.
• A recent parametrization of the Helfrich correction was employed.
• The Helfrich correction was tested against simulation measurements.

Main Results:

• The Helfrich correction demonstrated stronger agreement with simulation data compared to the Tolman correction.
• Analyses indicated that corrections of order higher than the second are necessary for small bubbles (radius ≲1 nm).

Conclusions:

• Higher-order Helfrich corrections provide a more accurate description of surface tension for curved interfaces than the Tolman model.
• The findings suggest limitations of the classical Tolman theory for nanoscale curved interfaces.