writer：Yutian Zhu, Jesse D. Ziebartha, Yongmei Wang
keywords：Critical condition of liquid chromatography; Critical adsorption point; Polymer modeling
source：期刊
Issue time：2011年
The dependence of critical condition in liquid chromatography on the pore size of column substrates was investigated by Lattice Monte Carlo simulations. In the current study, the pore was modeled by a square channel and polymer chains were modeled by both the random walk (RW) and the self-avoiding walk (SAW) models. When the polymer chains were modeled by the RW model, the critical conditions in the square channels with different channel widths remained the same as the critical condition on a single surface if the special edge effect was eliminated. For the SAW chain, the shift of critical condition with the square channel width was still observed even when the special edge effect of square channel was eliminated. This confirms the results reported in our earlier study (Macromolecules 2004, 37, 10073–10078) that the critical condition in square channel pore shifts as pore width decreases. Since the square channel pore is a better representation of the actual pore shapes in a liquid chromatography column than the slit pore, the current study confirms that the shift in critical condition with pore size is a true phenomenon. A recent experimental study also confirms the shift (J. Polym. Sci. Polym. Phys. 2009, 47, 2533–2540).