Department of Chemistry, The University of Memphis, Memphis, TN 38152, USA.
J Chromatogr A. 2010 Sep 24;1217(39):6102-9. doi: 10.1016/j.chroma.2010.07.068. Epub 2010 Aug 3.
The partitioning of star branched polymers into a slit pore at three different chromatography conditions, namely, size exclusion chromatography (SEC), liquid chromatography at the critical condition (LCCC), and liquid adsorption chromatography (LAC) have been investigated with lattice Monte Carlo simulations. Two different chain models are used: random walks (RW) that have no excluded volume interaction and self-avoiding walks (SAW) that have excluded volume interaction. The simulation data obtained for the two chain models are compared to illustrate the effect of excluded volume interactions on the partitioning of star branched polymers. The two most outstanding effects observed due to the introduction of excluded volume interactions are: (i) stars with a high number of arms can be excluded from the pore at condition corresponding to the LCCC of the linear polymers; (ii) the partition coefficient of stars in LAC mode is not dependent only on the total number of monomers on the chain. These effects illustrated by the current study should be taken into account when interpreting experimental chromatography data for branched polymers.
我们在三种不同的色谱条件下（尺寸排阻色谱（SEC）、临界条件下的液相色谱（LCCC）和液相吸附色谱（LAC）），利用格子蒙特卡罗模拟研究了星型支化聚合物在狭缝孔中的分配。我们使用了两种不同的链模型：无排除体积相互作用的无规行走（RW）和具有排除体积相互作用的自回避行走（SAW）。我们比较了这两种链模型的模拟数据，以说明排除体积相互作用对星型支化聚合物分配的影响。由于引入排除体积相互作用，观察到了两个最显著的影响：（i）具有高臂数的星型可以在对应于线性聚合物 LCCC 的条件下被孔排斥；（ii）在 LAC 模式下，星型的分配系数不仅取决于链上的总单体数。在解释支化聚合物的实验色谱数据时，应该考虑到当前研究中说明的这些影响。
