Related papers: Modeling size controlled nanoparticle precipitatio…
The self-assembly of copolymeric vesicles and micelles in micromixers is studied by External Potential Dynamics (EPD) simulations -- a dynamic density functional approach that explicitly accounts for the polymer architecture both at the…
Polymeric nanoparticles (NPs) have a great application potential in science and technology. Their functionality strongly depends on their size. We present a theory for the size of NPs formed by precipitation of polymers into a bad solvent…
The evolution of the microstructure due to spinodal decomposition in phase separated mixtures has a strong impact on the final material properties. In the late stage of coarsening, the system is characterized by the growth of a single…
We present results from an individual particle based model for the collision, coagulation and fragmentation of heavy drops moving in a turbulent flow. Such a model framework can help to bridge the gap between the full hydrodynamic…
It has been experimentally established in numerous cases that precipitation of monodispersed colloids from homogeneous solutions is a complex process. Specifically, it was found that in many systems nuclei, produced rapidly in a…
A mathematical model to describe the growth of an arbitrarily large number of nanocrystals from solution is presented. First, the model for a single particle is developed. By non-dimensionalising the system we are able to determine the…
We re-explore the kinetics of spinodal decomposition in off-critical polymer blends through numerical simulations of the Cahn-Hilliard equation with the Flory-Huggins-De Gennes free energy functional. Even in the absence of thermal noise,…
This article presents a numerical simulation of solvent diffusion in transition metal dichalcogenide based nanomaterials during solvothermal reaction, leading to layer exfoliation and, consequently, a reduction in the average nanoparticle…
A novel method to investigate the compaction behaviour of cohesive powders is presented. As a sample, a highly porous agglomerate formed by random ballistic deposition (RBD) of micron sized spherical particles is used. A nanomanipulator…
Monodispersed spherical cadmium sulfide particles were used as a model system in order to explain the size selection in the formation of colloids by aggregation of nanosize subunits. Several procedures of mixing the reactants were employed…
Photo-induced synthesis and control over the size and shape of colloidal silver nanoparticles is investigated in contrast to photo-stimulated aggregation of small nanoparticles into large fractal-type structures. The feasibility of…
Large scale molecular dynamics simulations for bidisperse nanoparticle suspensions with an explicit solvent are used to investigate the effects of evaporation rates and volume fractions on the nanoparticle distribution during drying. Our…
We survey our research on modeling the mechanisms of control of uniformity in growth of nanosize and colloid particles. The former are produced as nanocrystals, by burst-nucleation from solution. The latter, colloid-size particles, are…
We outline a theoretical framework for estimating the evolution of the particle size distribution in colloid and nanoparticle synthesis, when the primary growth mode is by externally controlled addition of singlet building blocks. The…
The recently developed two-stage growth model of synthesis of monodispersed polycrystalline colloidal particles is utilized and improved to explain growth of uniform cadmium sulfide spheres. The model accounts for the coupled processes of…
Cononsolvency occurs when two miscible, competing good solvents for a polymer are mixed, resulting in a loss of solubility. In this study, we demonstrate through simulations, supported by theory, that cononsolvency can be driven solely by…
The order-disorder transition of a sphere-forming block copolymer thin film was numerically studied through a Cahn-Hilliard model. Simulations show that the fundamental mechanisms of pattern formation are spinodal decomposition and…
Extending the recently-developed bond-order-length-strength (BOLS) correlation mechanism [Sun CQ, Prog Solid State Chem 2007, 35, 1-159] to the pressure domain has led to atomistic insight into the phase stability of nanostructures under…
Smoothed Dissipative Particle Dynamics (SDPD) is a mesoscopic method which allows to select the level of resolution at which a fluid is simulated. In this work, we study the consistency of the resulting thermodynamic properties as a…
We present an application of Flory-type self-consistent field theory of the flexible polymer chain dissolved in the binary mixture of solvents to theoretical description of co-nonsolvency. We show that our theoretical predictions are in…