We have developed explicit- and implicit-solvent models for the flash nanoprecipitation process, which involves rapid coprecipitation of block copolymers and solutes by changing solvent quality. The explicit-solvent model uses the dissipative particle dynamics (DPD) method and the implicit-solvent model uses the Brownian dynamics (BD) method. Each of the two models was parameterized to match ke...

We have systematically investigated the diffusion behavior of silica nanoparticles within supercritical ethanol, in terms of solvent properties by varying temperature (T) and pressure (P), to elucidate how the inhomogeneous solvent structures and density fluctuations in the solvent affect the diffusion behavior of solute particles. Results show that at a constant pressure, the diffusion coeffic...

Intracellular chemical reactions generally constitute reaction-diffusion systems located inside nanostructured compartments like the cytosol, nucleus, endoplasmic reticulum, Golgi, and mitochondrion. Understanding the properties of such systems requires quantitative information about solute diffusion. Here we present a novel approach that allows determination of the solvent-dependent solute dif...

The friction and diffusion coefficients of a massive Brownian particle in a mesoscopic solvent are computed from the force and the velocity autocorrelation functions. The mesoscopic solvent is described in terms of free streaming of the solvent molecules, interrupted at discrete time intervals by multiparticle collisions that conserve mass, momentum, and energy. The Brownian particle interacts ...

Objective(s):The aim of this study was to improve flowability and compressibility characteristics of starch to use as a suitable excipient in direct compression tabletting. Quasi-emulsion solvent diffusion was used as a crystal modification method. Materials and Methods: Corn starch was dissolved in hydrochloric acid at 80˚C and then ethanol as a non-solvent was added with lowering temperature ...

A femtosecond three-pulse chi((5)) polarization anisotropy experiment is used to examine the time dependence of the rotational diffusion of coumarin 153 in polar liquids. By probing the polarization anisotropy decay at various points during the molecule's excited state lifetime, a time-dependent diffusion coefficient is found in several solvents. This anomalous behavior is consistent with the r...

A method of solvent-enhanced dye diffusion in polymer films for organic light-emitting diode ~OLED! application is introduced. After an initial dye transfer from a dye source substrate into the top of the device polymer film, the device substrate is then exposed to solvent vapor. Due to solvent absorption by the polymer film, the glass transition temperature of the polymer is significantly decr...

A method of solvent-enhanced dye diffusion in polymer films for organic light-emitting diode (OLED) application is introduced. After an initial dye transfer from a dye source substrate into the top of the electractive polymer film, the device substrate is then exposed to solvent vapor. Due to solvent absorption by the polymer film, the glass transition temperature of the polymer is significantl...