Related papers: A Coarse-grained Model for Aqueous Two-phase Syste…
Liquid-liquid segmented flows in microchannels have been extensively investigated in the context of nanoparticle synthesis. The enhanced mixing in the slugs results in monodispersed particles. Earlier studies have focused on Organic-Aqueous…
The development of efficient separation methods is essential for the production of fine chemicals and materials. Among them, the aqueous two-phase extraction (ATPE) allows for the isolation of single-walled carbon nanotubes (SWCNTs) of…
To acquire the ability to numerically study the rheology of particulate two-phase flows that lack scale separation, we present a general method to average or coarse-grain the equations of motion of a mixture of a continuous fluid of…
Liquid-liquid phase separation of aqueous two-phase system (ATPS) is fundamental across physical and biological sciences. While well understood for passive systems, how this process is regulated by active agents such as motile bacteria…
Modelling micro- and meso-scopic scale thermodynamic and transport properties of soft condensed matter hinges upon its representation. This is especially relevant for polar solvents such as water, since these require effective…
Liquid-liquid phase separation is key to understanding aqueous two-phase systems (ATPS) arising throughout cell biology, medical science, and the pharmaceutical industry. Controlling the detailed morphology of phase-separating compound…
We develop coarse-grained particle approaches for studying the elastic mechanics of vesicles with heterogeneous membranes having phase-separated domains. We perform simulations both of passive shape fluctuations and of active systems where…
Ferrofluids are strongly magnetic fluids consisting of magnetic nanoparticles dispersed in a carrier fluid. Besides their technological applications, they have a tendency to form beautiful and intriguing patterns when subjected to external…
The aim of this paper is to discuss the mathematical modeling of Brownian active particle systems, a recently popular paradigmatic system for self-propelled particles. We present four microscopic models with different types of repulsive…
Complex fluids exhibit structure on a wide range of length and time scales, and hierarchical approaches are necessary to investigate all facets of their often unusual properties. The study of idealized coarse-grained models at different…
We develop a computational method based on Dissipative Particle Dynamics (DPD) that introduces solvent hydrodynamic interactions to coarse-grained models of solutes, such as ions, molecules, or polymers. DPD-solvent (DPDS) is a fully…
Certain sequences of peptoid polymers (synthetic analogs of peptides) assemble into bilayer nanosheets via a nonequilibrium assembly pathway of adsorption, compression, and collapse at an air-water interface. As with other large-scale…
We report on a molecular dynamics investigation of the wetting properties of graphitic surfaces by various solutions at concentrations 1-8 wt% of commercially available non-ionic surfactants with long hydrophilic chains, linear or T-shaped.…
Active Brownian particles (ABPs) serve as a minimal model of active matter systems. When ABPs are sufficiently persistent, they undergo a liquid-gas phase separation and, in the presence of obstacles, accumulate around them, forming a…
The two-dimensional Active Brownian Particles system is meant to be composed of hard disks, that show excluded volume interactions, usually simulated via molecular dynamics using pure repulsive potentials. We show that the softness of the…
In the high persistence regime of non-inertial active Brownian particles (ABP), polarization becomes a relevant dynamical field. Based on a recently proposed kinetic description for ABP, we derive Navier-Stokes-like equations for the…
We present a novel thermodynamically guided, low-noise, time-scale bridging, and pertinently efficient strategy for the dynamic simulation of microscopic models for complex fluids. The systematic coarse-graining method is exemplified for…
Gas-particle flows are commonly simulated through two-fluid model at industrial-scale. However, these simulations need very fine grid to have accurate flow predictions, which is prohibitively demanding in terms of computational resources.…
The computational study of the interaction between charged, ligand-protected metal nanoparticles and model lipid membranes has been recently addressed both at atomistic and coarse grained level. Here we compare the performance of three…
We investigate the collective dynamics of active Brownian particles (ABPs) subjected to a steady two-dimensional four-roll-mill flow using numerical simulations. By varying the packing fraction ($\phi$), we uncover a novel flow-induced…