Simple improvements to classical bubble nucleation models

Area of Science:

• Thermodynamics
• Physical Chemistry
• Materials Science

Background:

• Classical nucleation theory (CNT) provides a framework for understanding bubble nucleation.
• Previous CNT models often used simplified prefactors for nucleation rates, neglecting key physical phenomena.
• Accurate bubble nucleation rate prediction is crucial for various scientific and engineering applications.

Purpose of the Study:

• To improve the classical nucleation theory (CNT) formula for homogeneous bubble nucleation rate.
• To incorporate a more accurate prefactor accounting for thermal conduction, viscosity, and liquid inertia.
• To precisely constrain the free energy barrier for bubble nucleation using advanced simulations and experiments.

Main Methods:

• Revisiting and improving the classical nucleation theory (CNT) prefactor.
• Analyzing the impact of thermal conduction, viscosity, and inertia on bubble growth.
• Utilizing molecular dynamics simulations and laboratory experiments for argon bubble nucleation.
• Applying Tolman's correction to the CNT free energy for precise barrier evaluations.

Main Results:

• Developed an improved prefactor for bubble nucleation rate, significantly differing from CNT.
• Demonstrated that thermal conduction, viscosity, and inertia can substantially decrease the prefactor.
• Determined the Tolman length for argon bubble nucleation to be approximately 0.3σ, independent of temperature.
• Achieved accurate bubble nucleation rate predictions within the range of current experiments and simulations.

Conclusions:

• The improved prefactor and Tolman correction lead to accurate bubble nucleation rate predictions.
• The study highlights the limitations of simplified CNT prefactors, showing deviations of several orders of magnitude.
• Precise evaluations of free energy barriers are enabled by the refined theoretical framework and experimental data.