Mesoscale Structures at Complex Fluid-Fluid Interfaces: a Novel Lattice Boltzmann / Molecular Dynamics Coupling
arXiv:1306.0788 · doi:10.1039/C3SM51556G
Abstract
Complex fluid-fluid interfaces featuring mesoscale structures with adsorbed particles are key components of newly designed materials which are continuously enriching the field of soft matter. Simulation tools which are able to cope with the different scales characterizing these systems are fundamental requirements for efficient theoretical investigations. In this paper we present a novel simulation method, based on the approach of Ahlrichs and Dünweg [Ahlrichs and Dünweg, Int. J. Mod. Phys. C, 1998, 9, 1429], that couples the "Shan-Chen" multicomponent Lattice Boltzmann technique to off-lattice molecular dynamics to simulate efficiently complex fluid-fluid interfaces. We demonstrate how this approach can be used to study a wide class of challenging problems. Several examples are given, with an accent on bicontinuous phases formation in polyelectrolyte solutions and ferrofluid emulsions. We also show that the introduction of solvation free energies in the particle-fluid interaction unveils the hidden, multiscale nature of the particle-fluid coupling, allowing to treat symmetrically (and interchangeably) the on-lattice and off-lattice components of the system.
References in corpus (15)
- Colloidal Jamming at Interfaces: a Route to Fluid-bicontinuous Gels
- Mesoscopic modeling of a two-phase flow in the presence of boundaries: the Contact Angle
- Slip flow over structured surfaces with entrapped microbubbles
- Statistical Mechanics of the Fluctuating Lattice Boltzmann Equation
- Multiscale coupling of molecular dynamics and hydrodynamics: application to DNA translocation through a nanopore
- Hydrodynamic correlations in the translocation of biopolymer through a nanopore: theory and multiscale simulations
- Importance of hydrodynamic shielding for the dynamic behavior of short polyelectrolyte chains
- Coalescence of Pickering emulsion droplets induced by an electric field
- The emergence of supramolecular forces from lattice kinetic models of non ideal fluids: applications to the rheology of soft glassy meterials
- A Lattice-Boltzmann model for suspensions of self-propelling colloidal particles
- Drops deformation and magnetic permeability of a ferrofluid emulsion
- Colloidal electrophoresis: Scaling analysis, Green-Kubo relation, and numerical results
- Brownian dynamics of a microswimmer
- Progress in the Understanding of the Fluctuating Lattice Boltzmann Equation
- Weighted density Lattice Boltzmann approach to fluids under confinement
Cited by in corpus (15)
- Discrete Boltzmann modeling of multiphase flows: hydrodynamic and thermodynamic non-equilibrium effects
- Sliding drops across alternating hydrophobic and hydrophilic stripes
- Mesoscopic simulations at the physics-chemistry-biology interface
- Hybrid Lattice Boltzmann/Finite Difference simulations of viscoelastic multicomponent flows in confined geometries
- Capillary-bridge Forces Between Solid Particles: Insights from Lattice Boltzmann Simulations
- A Lattice Boltzmann study of the effects of viscoelasticity on droplet formation in microfluidic cross-junctions
- Fluctuating Multicomponent Lattice Boltzmann Model
- Effects of thermal fluctuations in the fragmentation of a nano-ligament
- Lattice Boltzmann Simulations of Droplet formation in confined Channels with Thermocapillary flows
- Lattice Boltzmann simulations of droplet dynamics in time-dependent flows
- Sub-Kolmogorov droplet dynamics in isotropic turbulence using a multiscale lattice Boltzmann scheme
- Effects of viscoelasticity on droplet dynamics and break-up in microfluidic T-Junctions: a lattice Boltzmann study
- Structure and Isotropy of Lattice Pressure Tensors for Multi-range Potentials
- Lattice Boltzmann simulations of droplet breakup in confined and time-dependent flows
- Lattice Boltzmann Simulations of Non-Equilibrium Fluctuations in a Non-Ideal Binary Mixture