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Drop spreading on heterogeneous substrates via Monte Carlo simulations
Nina Pesheva1, Joël De Coninck
1Institute of Mechanics, Bulgarian Academy of Sciences, Academician G. Bonchev Street 4, 1113 Sofia, Bulgaria. nina@imbm.bas.bg
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|December 17, 2004
Summary
This study models liquid drop spreading on surfaces using a 3D Ising model. Results show exponential decay in spreading dynamics, validating molecular kinetic theory for initial stages and exploring heterogeneous surface effects.
Area of Science:
- Surface science
- Physical chemistry
- Computational physics
Background:
- Understanding liquid drop dynamics is crucial for various applications.
- Partial wetting regimes and heterogeneous substrates present complex behaviors.
- Existing models require validation for dynamic spreading processes.
Purpose of the Study:
- To investigate liquid drop dynamics in the partial wetting regime.
- To model drop spreading on both pure and heterogeneous surfaces.
- To compare simulation results with established theoretical models.
Main Methods:
- Utilized a 3-dimensional Ising model (3D IM) for simulation.
- Employed particle-conserving dynamics for system evolution.
- Analyzed time-dependent base radius and contact angle cosine.
Main Results:
- Drop spreading dynamics (base radius and contact angle cosine) exhibit exponential decay.
- Molecular kinetic theory accurately describes initial spreading stages.
- Simulation results align with Cassie's and Israelachvili's equations for heterogeneous surfaces, with Israelachvili's showing slightly better fit.
- Deviations from Cassie's law observed at high temperatures and surface fields.
Conclusions:
- The 3D IM effectively models liquid drop spreading dynamics.
- Molecular kinetic theory is applicable to initial drop spreading in partial wetting.
- Heterogeneous surfaces influence spreading, with deviations from Cassie's law under specific conditions.