New chromatographic separation systems for polyolefins - theoretical simulations and experimental realization

聚烯烃是全世界生产最广泛的合成聚合物商品。它们具有摩尔质量、化学组成、官能度和/或链结构的分布。聚烯烃样品的详细分子表征需要确定这些分布。基于色谱的方法具有稳健性、高效性，最重要的是能够分离样品混合物中的不同物质。虽然灵敏的液相色谱模式已实现了许多聚合物，只有高温SEC目前可用于聚烯烃。聚烯烃的摩尔质量分布的测定可以用高温SEC获得，但是根据其化学组成和链结构的色谱分离还没有实现（除了来自达姆施塔特的德国聚合物研究所的几个例子）。该合作研究项目旨在为聚烯烃开发基于吸附和沉淀的LC模式，从而根据化学组成和/或链结构实现基于色谱的分离。该项目的实验部分将寻求溶剂/吸附剂系统，使吸附或沉淀的聚烯烃在LC柱。计算机模拟将研究线性和支化大分子的色谱洗脱行为，并预测基于吸附/沉淀的LC模式中可能出现的情况。这种色谱分离方法对于聚烯烃材料的高通量合成和分析是特别期望的。

Polyolefins are the most widely produced synthetic polymer commodity worldwide. They have distributions in molar mass, chemical composition, functionality and/or chain architectures. Detailed molecular characterization of polyolefin samples requires determination of these distributions. Chromatographic based methods enjoy the robustness, efficiency, and most of all capability of separation of different species in sample mixtures. While sensitive liquid chromatography modes have been realized for many polymers, only high temperature SEC is currently available for polyolefins. Determination of molar mass distributions of polyolefins can be obtained with high temperature SEC, but chromatographic separations according to their chemical composition and chain architectures have not been realized (except few examples from German Institute for Polymers in Darmstadt). This collaborative research project aims to develop adsorption and precipitation based LC modes for polyolefins, thereby enabling chromatographic based separation according to chemical composition and/or chain architectures. Experimental part of this project will seek for solvent/sorbent systems that enable adsorption or precipitation of polyolefin in LC columns. Computer simulations will investigate chromatographic elution behavior of linear and branched macromolecules and will forecast what might be expected in adsorption/precipitation based LC modes. Such chromatographic separation methods are especially desirable for high-throughput synthesis and analysis of polyolefin materials.