• Bulletin of the Korean Chemical Society
• /
• 제23권11호
• /
• 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.

• 멤브레인
• /
• 제10권1호
• /
• pp.19-29
• /
• 2000

고분자/용매계에서 물질전달현상에 이용되는 용매의 상호확산계수를 예측하기 위하여 기존의 UNFACFV을 적용한 확산식을 유도하였으며, 상호확산계수를 계산하였다. 또한, 새로운 모델식에 의하여 계산한 값을 실험치 및 Vrentas-Duda의 이론치와 비교하였다. 상화확산계수를 구하는데 필요한 자기확산계수는 Vrentas-Duda의 이론을 이용하고, 용매의 화학포텐셜의 농도 미분항은 original UNIFAC-FA와 modified UNIFAC-FV를 사용하였다. Flory-Hugginstlr을 이용한 Vrentas-Duda의 상호확산식은 용매의 화학포텐셜의 농도 미분항을 표현하기 위하여 매개변수 x를 온도와 농도에 무관한 상수로 가정한 단점을 가지고 있으나, 본 연구에서 제시한 방법에서는 이러한 가정이 없으며, 여러 가지 고분자/용매계(polyisobutylene homopolymer 및 polyisobutylene-poly(pmethylstyrene) copolymer와 cyclohexane, n-hexane, n-pentane, chloroform, toluene)에서의 상호확산계수를 잘예측하였다. 특히 PIB/toluene계의 경우, 본 논문에서 사용된 방법이 Vrentas-Duda 이론에 의한 것보다 실험치에 더 가까웠다. 또한, 아무런 가정이나 제약없이, 넓은 온도 및 농도 영역에서 고분자/용매계의 상호확산계수를 예측할 수 있는 좋은 방법임을 알 수 있었다.

• 한국막학회:학술대회논문집
• /
• 한국막학회 1997년도 추계 총회 및 학술발표회
• /
• 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.

• 한국시뮬레이션학회:학술대회논문집
• /
• 한국시뮬레이션학회 1999년도 추계학술대회 논문집
• /
• 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.

• 멤브레인
• /
• 제32권1호
• /
• pp.50-56
• /
• 2022

본 연구에서는 유기용매용 나노여과막 (Organic Solvent Nanofiltration, OSN)의 유기용매 투과 및 분리성능을 분석하였다. 비극성용매에 적합한 Puramem (PM) 시리즈 분리막의 소재를 분석한 후 다양한 유기용매 분위기에서의 투과성능을 데드엔드셀로 측정하였다. PM 시리즈 분리막은 극성용매 대비 비극성용매에서 더 높은 투과도를 보였으며, 용질의 종류 및 분자량에 따라 매우 독특한 배제성능을 보이는 것을 확인하였다. 이는 기존 수처리에 적용되는 Solution-diffusion 투과모델이 OSN 투과모델에는 적합하지 않다는 것을 알 수 있으며, solvent-solute-membrane 간의 상관관계를 더 정확하게 반영할 수 있는 새로운 인자가 필요하다는 결론을 낼 수 있다.

• Bulletin of the Korean Chemical Society
• /
• 제12권5호
• /
• 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.

• 한국막학회:학술대회논문집
• /
• 한국막학회 2003년도 The 4th Korea-Italy Workshop
• /
• 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.

• 공업화학
• /
• 제25권2호
• /
• pp.147-151
• /
• 2014

많은 고분자 공정에서 고분자에서의 유기 용매와 같은 저분자 물질의 확산은 중요하다. 고분자에서의 저분자 물질의 이동은 중합 반응기의 효율성과 제조된 고분자의 특성을 결정한다. 공정을 설계하고 최적화하는데 중요한 물성값은 고분자/용매 상호확산 계수이다. 용매의 농도가 매우 낮은 무한희석 상태에서의 고분자/용매 계의 무한확산계수를 측정하기 위해서 capillary column inverse gas chromatography (CCIGC) 기법이 흔히 사용된다. 이 기법을 사용하면 비교적 짧은 시간에 확산계수와 분배계수를 측정하는 것이 가능하다. 본 연구에서는 CCIGC 기법을 사용해서 styrene/butadiene/styrene (SBS) 블록 공중합체에서 환형 구조를 가지는 용매의 확산계수와 분배계수를 다양한 온도 범위에서 측정하였다.

• Bulletin of the Korean Chemical Society
• /
• 제4권5호
• /
• 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
• /
• 제34권2호
• /
• 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.