Kinetic Monte Carlo and hydrodynamic modelling of droplet dynamics on surfaces, including evaporation and condensation

Abstract

We present a lattice-gas (generalised Ising) model for liquid droplets on solid surfaces. The time evolution in the model involves two processes: (i) Single-particle moves which are determined by a kinetic Monte Carlo algorithm. These incorporate into the model particle diffusion over the surface and within the droplets and also evaporation and condensation, i.e. the exchange of particles between droplets and the surrounding vapour. (ii) Larger-scale collective moves, modelling advective hydrodynamic fluid motion, determined by considering the dynamics predicted by a thin-film equation. The model enables us to relate how macroscopic quantities such as the contact angle and the surface tension depend on the microscopic interaction parameters between the particles and with the solid surface. We present results for droplets joining, spreading, sliding under gravity, dewetting, the effects of evaporation, the interplay of diffusive and advective dynamics, and how all this behaviour depends on the temperature and other parameters.

arXiv comment19 pages, 15 figures

References in corpus (20)

• Front instabilities in evaporatively dewetting nanofluids
• Modelling approaches to the dewetting of evaporating thin films of nanoparticle suspensions
• Do liquid drops roll or slide on inclined surfaces?
• Parameter passing between Molecular Dynamics and continuum models for droplets on solid substrates - The static case
• An Introduction to Microscopic Theories for Inhomogeneous Liquids: Getting Started with Density Functional Theory
• Liquid drops on a surface: using density functional theory to calculate the binding potential and drop profiles and comparing with results from mesoscopic modelling
• Dynamical density functional theory for the dewetting of evaporating thin films of nanoparticle suspensions exhibiting pattern formation
• Modelling the evaporation of thin films of colloidal suspensions using Dynamical Density Functional Theory
• Influence of the fluid structure on the binding potential: comparing liquid drop profiles from density functional theory with results from mesoscopic theory
• Instability, rupture and fluctuations in thin liquid films: Theory and computations
• Films, layers and droplets: The effect of near-wall fluid structure on spreading dynamics
• Onsager and Kaufman's calculation of the spontaneous magnetization of the Ising model: II
• Sliding drops - ensemble statistics from single drop bifurcations
• Nucleation of liquid droplets in a fluid with competing interactions
• Dynamical density functional theory for the evaporation of droplets of nanoparticle suspension
• Coarsening modes of clusters of aggregating particles
• Two-dimensional pulse dynamics and the formation of bound states on electrified falling films
• Comparing kinetic Monte Carlo and Thin-Film Modeling of Transversal Instabilities of Ridges on Patterned Substrates
• Modelling the evaporation of nanoparticle suspensions from heterogeneous surfaces
• Nudged Elastic Band calculation of the binding potential for liquids at interfaces

Cited by in corpus (6)

• Experimental and Theoretical Bulk Phase Diagram and Interfacial Tension of Ouzo
• Off-lattice Monte-Carlo approach for studying nucleation and evaporation phenomena at the molecular scale
• Dynamics of particle aggregation in dewetting films of complex liquids
• Stability of nanoparticle laden aerosol liquid droplets
• Microscopic fluctuations in the spreading fronts of circular wetting liquid droplets
• Classical density functional theory for nanoparticle-laden droplets