• Bulletin of the Korean Chemical Society
• /
• v.23 no.11
• /
• pp.1579-1584
• /
• 2002

Since surfactant or emulsifiers remained on the nanoparticle surface significantly affect the physicochemical properties, the biodegradation rate, the biodistribution, and the biocompatibility of nanoparticles, surfactant-free nanoparticles should be good candidate. surfactant-free PLGA nanoparticles were successfully prepared by both the dialysis method and the solvent diffusion method. The PLGA nanoparticles prepared using the solvent diffusion method has a smaller particle size than the dialysis method. The solvent diffusion method was better for a higher loading efficiency than the dialysis method but the nanoparticle yield was lower. Testosterone (TST) release from the PLGA nanoparticles was dependent on the particle size rather than the drug contents. Testosterone release from the PLGA nanoparticles prepared by the solvent diffusion method using acetone was faster than those prepared by the dialysis method. TST release from the PLGA nanoparticles prepared by the solvent diffusion method using acetone and the dialysis method using dimethylformamide (DMF) was completed for 4 days while the PLGA nanoparticles prepared by the dialysis method using acetone showed approximately 80% TST release after 4 days. Since the PLGA nanoparticle degradation ratio was below 20% within 5 days at all samples while TST release completed within 4 days, TST release was dependent on the diffusion mechanism rather than degradation.

• Membrane Journal
• /
• v.10 no.1
• /
• pp.19-29
• /
• 2000

To estimatc mutual diffusion coefficient for the analysis of mass transfer phenomena in polymer/solvent system, two models are proposed and the equations are derived. The estimates of mutual diffusion coefficients are obtained by two models suggested in this work and compared with and experimental data and Vrentas-Duda's. Vrentas-Duda's self diffusion coefficient was used for the mutual diffusion coefficient. Derivative of chemical potential on solvent was derived and used using original UNIFAC-FV and modified UNIFAC-FV. However, Vrentas-Duda's equation for mutual diffusion coefficient contains Flory-Huggins parameter x. For the derivative of chemical potential term, Vrentas-Duda assumed that parameter x was constant and independent of temperatures and concentrations The assumption is one of shortcoming in vrentas-Duda's mutual diffusion coefficient. New methods proposed in this work do not have such assumptions and simplifications. For the solvent of cyclohexane, n-pentane, and n-hexane in PIB(polyisolbutylene) and PMS-BR (poly(p-methylstyrene-co-isobutylene), new methods well correlate the experimental data at various temperatures and concentrations, and predicted the experimental data much better than Vrentas-Duda's for the PIB/toluene system. It is shown that new methods are excellent tools for correlating mutual diffusion coefficient data in polymer/solvent system over wide ranges of temperature and concentration without any assumptions or simplifications.

• Proceedings of the Membrane Society of Korea Conference
• /
• 1997.10a
• /
• pp.27-30
• /
• 1997

1. Introduction : Molecular diffusion of small molecules in polymers plays an important role in many areas where polymers are acting as barriers, and in separation processes, such as selective diffusion. Different applications of polymers have different requirements on their transport properties. Therefore, reliable predictions of diffusion coefficients for small molecules in polymeric materials could be a useful tool to design appropriate materials. For many years, the theories based on free-volume concepts have been widely used to correlate and predict diffusion behavior in polymer/solvent systems. In the theory derived by Vrentas and Duda, the empty space between molecules that is available for molecular transport, referred to as hole free-volume, is being redistributed. Molecular transport will occur only when a free-volume of sufficient size appears adjacent to a molecule and the molecule has enough energy to jump into this void. The diffusive jump is considered complete when the void left behind is closed before the molecule returns to its original position. In this paper, the Vrentas-Duda free-volume theory is presented and the methods to estimate free-volume parameters for predicting polymer/ solvent diffusion coefficients are described in detail.

• Proceedings of the Korea Society for Simulation Conference
• /
• 1999.10a
• /
• pp.186-191
• /
• 1999

The coagulation process of PAN (poly(acrylonitrile)) wet-spinning was modeled and simulated based on the numerical analysis of the coagulation of a viscous polymer solution by diffusional interchange with a bath. Experiments were performed with gelled solutions of PAN in nitric acid to determine the diffusion rate of solvent and nonsolvent (water) during the coagulation. The experimental data were analyzed by using equations of diffusion coefficient which are the function of the solvent concentrations of the coagulation bath and the filament. The concentration profile of solvent in moving filament was predicted by solving the diffusion model equation numerically. A simplex method was used in the computation of the parameters of the diffusion equations to minimize the difference between the numerical results and experimental data.

• Membrane Journal
• /
• v.32 no.1
• /
• pp.50-56
• /
• 2022

In this work, the solvent permeation and separation performance of organic solvent nanofiltration (OSN) membranes were evaluated. Particularly, the PuraMem (PM) series developed for nonpolar solvents were analyzed and tested in dead-end filtration system. PM membranes exhibited higher permeance for nonpolar solvents compared to polar solvents, and their rejection data did not follow conventional trends with respect to solute size. The data showed that simple solution-diffusion model is not suitable to describe the OSN membrane behavior, and a better solvent-solute-membrane interaction parameter must be developed.

• Bulletin of the Korean Chemical Society
• /
• v.12 no.5
• /
• pp.468-473
• /
• 1991

Viscoelastic properties of PET filament fibers on stress relaxation were investigated in the solvents of $H_2$O, 0.05% NaOH and 50% DMF using an Instron (UTM4-100 Tensilon) with solvent chamber. The theoretical stress relaxation equation derived by applying the Ree-Eyring's hyperbolic sine law to dashpot of three element non-Newtonian model was applied to the experimental stress relaxation curves, and the model parameters $G_1,G_2$, ${\alpha}$ and ${\beta}$ were obtained. By analyzing temperature dependency of the relaxation time, the values of activation entropy, activation enthalpy and activation free energy for flow in PET filament fiber were evaluated, the activation free energy being about 25.7 kcal/mol. The self diffusion coefficient and hole distance were obtained from parameters ${\alpha}$, ${\beta}$ and crystallite size in order to study the self diffusion and the orientation of crystallites in amorphous region and the effect of solvent.

• Proceedings of the Membrane Society of Korea Conference
• /
• 2003.07a
• /
• pp.107-114
• /
• 2003

This study investigated the effect of 2-methoxy ethanol (2-Me) non-solvent as additive included in casting solution. Macroporous polymer membranes were prepared by using polyethersufone (PES)/N-methyl-2-pyrrolidone (NMP)/2-Me casting solution and water coagulant. The phase separation co-process of the vapor-induced phase separation (VIPS) and liquid-induced phase separation (LIPS) were used by means of membrane preparation method. The pore size and pore size distribution were controlled with additive (non-solvent), and measured with Automated Perm Porometer. By increasing additive (non-solvent) in the casting solution, the membranes produced changed from finger structure to sponge structure. That is due to the different diffusion rates. At slow diffusion process, sponge-like structure was formed and at fast diffusion process, finger-like structure was formed. Also relative humidity, evaporation time, temperature of casting solution and coagulation bath etc. had effects on the pore size distribution and the porosity of the membrane.

• Applied Chemistry for Engineering
• /
• v.25 no.2
• /
• pp.147-151
• /
• 2014

In many polymer processing operations, the diffusion of small molecules in polymeric materials plays an important role. The fundamental physical property required to design and optimize processing operations is the mutual diffusion coefficient. To investigate the transport properties of polymer/solvent systems at infinite dilution, capillary column inverse gas chromatography (CCIGC) is often employed. In this study, diffusion and partition coefficients of cyclic solvents in styrene/butadiene/styrene (SBS) block copolymer were measured over a wide temperature range using the CCIGC technique.

• Bulletin of the Korean Chemical Society
• /
• v.4 no.5
• /
• pp.223-227
• /
• 1983

A molecular dynamic computer experiment was performed on a system of 108 particles composed of a single polymer chain and solvent molecules. The state considered was in the immediate neighborhood of the triple point of the system. The polymer itself is an analog of a freely jointed chain. The Lennard-Jones potential was used to represent the interactions between all particles except for that between the chain elements forming a bond in the polymer chain, for which the interaction was expressed by a harmonic potential. The self-diffusion coefficient and velocity autocorrelation function (VACF) of a polymer were calculated at various chain lengths $N_p$, and various interaction strengths between solvent molecules and a polymer chain element. For self-diffusion coefficients D, the Einstein relation holds good; as chain length $N_p$ increases the D value decreases, and D also decreases as ${\varepsilon}_{cs}$ (the interaction parameter between the chain element and solvent molecules) increases. The relaxation time of velocity autocorrelation decreases as ${\varepsilon}_{cs}$ increases, and it is constant for various chain lengths. The diffusion coefficients in various conditions reveal that our systems are in a free draining limit as is well known from the behavior of low molecular weight polymers, this also agrees with the Kirkwood-Riesman theory.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.2
• /
• pp.574-578
• /
• 2013

In this work, the friction and diffusion coefficients of a tracer in a mesoscopic solvent are evaluated as a function of the tracer size by a hybrid molecular dynamics simulation where solute molecules evolve by Newton's equations of motion but the solvent evolves through the multi-particle collision dynamics. The friction coefficient is shown to scale linearly with the tracer size for larger tracers in accord with predictions of hydrodynamic theories. The diffusion coefficient of tracer is found to be inversely proportional to tracer size. The behavior of Stokes-Einstein formula is validated as a function of tracer size.