期刊
JOURNAL OF CHROMATOGRAPHY A
卷 1126, 期 1-2, 页码 95-106出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chroma.2006.06.060
关键词
Brownian dynamics; network model; protein diffusion; intraparticle diffusion; hindered transport; percolation
资金
- NIGMS NIH HHS [R01 GM75047] Funding Source: Medline
Two computational approaches, namely Brownian dynamics and network modeling, are presented for predicting effective diffusion coefficients of probes of different sizes in three chromatographic adsorbents, the structural properties of which were determined previously using electron tomography. Three-dimensional reconstructions of the adsorbents provide detailed, explicit characteristics of the pore network, so that no assumptions have to be made regarding pore properties such as connectivity, pore radius and pore length. The diffusivity predictions obtained from the two modeling approaches were compared to experimental diffusivities measured for dextran and protein probes. Both computational methods captured the same qualitative results, while their predictive capabilities varied among adsorbents. (c) 2006 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据