Balazs A C, Calef D F, Deutch J M, Siegel R A, Langer R
Biophys J. 1985 Jan;47(1):97-104. doi: 10.1016/S0006-3495(85)83881-9.
A lattice random-walk model is used to simulate diffusion in a porous polymer. This model may be useful for the practical design of drug-release systems. Both interacting and noninteracting particles (random walkers) were allowed to diffuse through a pore with a single exit hole. It was found that the specific interactions among the diffusing particles have little influence on the overall release rate. Diffusion through more complicated structures was investigated by simulating the diffusion of particles through two pores connected by a constricted channel whose length and width were varied. The overall rate of release was found to be proportional to the width of the constricted channel. When the length of the channel was greater than or equal to the length of the pore, the rate of release was also inversely proportional to the channel length. From a practical standpoint, release rates can be decreased (and times for release increased) by one or two orders of magnitude by decreasing the width and expanding the length of the interconnecting channels in the polymer matrix.
采用晶格随机游走模型模拟多孔聚合物中的扩散。该模型可能有助于药物释放系统的实际设计。相互作用和非相互作用的粒子(随机漫步者)都被允许通过具有单个出口孔的孔隙扩散。结果发现,扩散粒子之间的特定相互作用对整体释放速率影响很小。通过模拟粒子通过由长度和宽度可变的狭窄通道连接的两个孔隙的扩散,研究了通过更复杂结构的扩散。发现整体释放速率与狭窄通道的宽度成正比。当通道长度大于或等于孔隙长度时,释放速率也与通道长度成反比。从实际角度来看,通过减小聚合物基质中互连通道的宽度并增加其长度,可以将释放速率降低(并延长释放时间)一两个数量级。