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

聚烯烃是世界上生产最广泛的合成聚合物商品。它们在摩尔质量、化学组成、官能度和/或链结构上都有分布。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种。虽然许多聚合物已经实现了灵敏的液相色谱模式，但目前只有高温SEC可用于聚烯烃。用高温SEC可以测定聚烯烃的摩尔质量分布，但根据其化学组成和链结构进行色谱分离还没有实现(除了德国达姆施塔特的几个聚合物研究所的例子)。这一合作研究项目旨在开发基于吸附和沉淀的聚烯烃的LC模式，从而能够根据化学组成和/或链结构进行基于色谱的分离。该项目的实验部分将寻找能够在LC柱中吸附或沉淀聚烯烃的溶剂/吸着剂系统。计算机模拟将研究线性和支化大分子的层析洗脱行为，并将预测基于吸附/沉淀的LC模式中可能出现的情况。这种层析分离方法特别适用于聚烯烃材料的高通量合成和分析。

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.