As approaches for polymer synthesis become increasingly sophisticated, polymers that possess more complex chain architecture and chemical composition than linear polymer become readily available. Separation and characterization of polymers that possess multiple distributions in addition to molecular weight distribution has been a challenge. A number of different approaches have been put forward (i.e. multi-detectors and multi-dimensional separations). Among these, separations of polymers other than size exclusion chromatography such as Interactive Chromatography and Liquid Chromatography at the Critical Condition (LCCC) have gained popularity. The experimental development of new separation methods calls for a better understanding of the separation principles behind these experiments.In the past number of years, we have used computational/theoretical approaches to investigate the principles behind LCCC. We have used Monte Carlo simulations and investigated the delicate nature of the critical condition point encountered in the LCCC. We have shown that the critical condition point could depend on the physical size of the pore. We have shown that star polymers do not necessarily co-elute with linear polymers near the critical condition of linear polymers. We will also illustrate how the invisible braches (the branches that is being put under the critical condition) could impact the retention behavior of the grafed copolymers. The talk will present an overview of our computational studies directed toward a better understanding of separation of complex polymers in liquid chromatography at the critical condition.

Computational/theoretical studies of polymer separations by liquid chromatography at critical condition (LCCC)

249th National Meeting (2015)

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