Search results for "Note"

Structured Nanoparticles from the Self-Assembly of Polymer Blends through Rapid Solvent Exchange

2017

Molecular dynamics simulations were performed to study systematically the rapid mixing of a polymer blend in solution with a miscible nonsolvent. In agreement with experiments, we observe that polymers self-assemble into complex nanoparticles, such as Janus and core-shell particles, when the good solvent is displaced by the poor solvent. The emerging structures can be predicted on the basis of the surface tensions between the polymers as well as between the polymers and the surrounding liquid. Furthermore, the size of the nanoparticles can be independently tuned through the mixing rate and the polymer concentration in the feed stream; meanwhile, the composition of the nanoparticles can be c…

On the Stability of Polymeric Nanoparticles Fabricated through Rapid Solvent Mixing.

2018

We study the stability of polymeric nanoparticles fabricated through the rapid mixing of polymers in a good solvent with a poor solvent that is miscible with the good solvent. In previous experiments where water was used as the poor solvent, a negative surface charge was measured on the precipitated nanoparticles, which led to the long-time stability of the dispersion. It was argued that these charges originate presumably from either water or hydroxide adsorption at the hydrophobic nanoparticle surface or from impurities in the feed streams that preferentially adsorb on the precipitated nanoparticles. To elucidate the origin of this stabilization mechanism, we performed experiments wherein …

Detection of polymer compatibility by means of self-organization: poly(ethylene oxide) and poly(sodium 4-styrenesulfonate)

2021

Information on the miscibility of different polymers A and B on a molecular level is important in many ways. However, along the traditional lines this knowledge is difficult and time consuming to achieve. The current study presents a simple alternative, based on the determination of the intrinsic viscosities (specific hydrodynamic volume of isolated coils) for blend solutions in a common solvent. In the case of incompatible polymers, isolated coils contain one macromolecule only, either A or B. In contrast, compatible polymers form mixed isolated coils, because of favorable interactions. The present investigation was carried out for the system water/poly(ethylene oxide)/poly(sodium 4-polyst…

Transparent thermoplastic polyurethanes based on aliphatic diisocyanates and polycarbonate diol

2016

Segmented thermoplastic polyurethanes (PUs) were synthetized using polycarbonate diol as soft segment with a molar mass of 500 and as a hard segment 1,5-pentanediol with a combination of isophorone diisocyanate (IPDI) and hexamethylene diisocyanate (HDI). Differential scanning calorimetry, differential mechanical analysis, Fourier transform infrared-attenuated total reflection spectroscopy, haze, transmittance, hardness, tensile properties and retention of tensile properties tests were employed to characterize the different PUs. The results of this study show that IPDI/HDI relation has a significant impact on the phase mixing, crystallinity and therefore on the PU’s properties. The variati…

Structure to Function in Supramolecular Polymers and Materials

2018

Multi-scale simulations of polymeric nanoparticle aggregation during rapid solvent exchange.

2018

Using a multi-scale approach which combines both molecular dynamics (MD) and kinetic Monte Carlo (KMC) simulations, we study a simple and scalable method for fabricating charge-stabilized nanoparticles through a rapid solvent exchange, i.e., Flash NanoPrecipitation (FNP). This multi-scale approach is based on microscopic information from MD simulations and uses a KMC algorithm to access macroscopic length- and time scales, which allows direct comparison with experiments and quantitative predictions. We find good agreement of our simulation results with the experiments. In addition, the model allows us to understand the aggregation mechanism on both microscopic and macroscopic levels and det…

Molecular Simulation of Polymer Melts and Blends: Methods, Phase Behavior, Interfaces, and Surfaces

2016

Novel cuprous oxide morphologies using amino acids and carboxylic acids as structure directing agents in a simple hydrothermal method

2021

Abstract The reactivity and catalytic performance of cuprous oxide (Cu2O) particles rely on the size and morphology of the Cu2O crystals. In this study, a facile and mild hydrothermal route is applied to generate novel uniform cuprous oxide microcrystals, using non-toxic and low-cost carboxylic acids (O,O-type) and amino acids (N,O-type) as structure directing agents. N,O-type complexing agents showed a higher ability to reduce the copper species compared to the O,O-type ligands. Using oxalate and citrate complexes, pure Cu2O was obtained after 4 h at 200 °C, whereas the oxalate-based complex leads to the morphology of uniformly stepped microcubes, the citrate complex as precursor leads to …

Mesoporous silicon carbide via nanocasting of Ludox® xerogel

2016

Porous SiC with uniformly sized 12 nm and 22 nm spherical mesopores was synthesized from nanocomposites of polycarbosilane (PCS) preceramic polymer and xerogels of Ludox® SiO2 nanoparticles as templates. The influence of PCS type (Mw 800 and 2000 Da), PCS : SiO2 ratio, pyrolysis temperature 1200–1400 °C, and addition of Ni complex to the preceramic composite was studied with respect to the SiC porous morphology, crystalline structure and chemical properties. We found that the pore walls of Ni-free por-SiC are composed of relatively large (20 nm) crystallites embedded inside a poorly crystalline SiC/SiC1+x phase. Increasing the pyrolysis temperature resulted in an increase of the large cryst…

Liquid crystalline phases from polymer functionalized ferri-magnetic Fe3O4nanorods

2017

Here, we present the surface functionalization of anisotropic in form ferri-magnetic Fe3O4-nanorods (NRs) with a diblock copolymer, having a PMMA- or PDEGMEMA-block, for solubilization, and a dopamine anchor block. These polymers were synthesized through RAFT polymerization via a macro-initiator approach. The successful surface functionalization, performed via a grafting-to method, was monitored using TGA, IR and TEM measurements. The NRs were very soluble in organic solvents after functionalization. Afterwards, the liquid crystalline (LC) behavior was investigated. During solvent evaporation, birefringent domains were formed. The self-assembly into lyotropic LC structures could be observed…