计算机模拟在高效液相色谱中的应用进展

Application progress of computer simulation in high performance liquid chromatography

综述了计算机模拟在高效液相色谱中的应用进展。对计算机模拟技术在高效液相色谱(HPLC)中的应用进行了简介,重点阐述了利用计算机模拟技术辅助HPLC方法开发以及分离机理探究的研究进展。在信息化背景下,通过计算机技术辅助HPLC方法开发和分离机理研究,不仅拓宽了复杂化合物的方法开发途径,而且提高了HPLC方法开发和色谱柱结构设计的效率,同时大大减少有机溶剂的损耗,符合绿色化学的发展理念。计算机模拟技术和HPLC技术的有机结合是未来色谱工作者的主要研究方向,该综述可为HPLC分析技术和计算机模拟技术的发展与应用转化提供指导。

The application progress of computer simulation in high-performance liquid chromatography was reviewed.A brief introduction was given to the application of computer simulation technology in high-performance liquid chromatography(HPLC),with a focus on the research progress of using computer simulation technology to assist in the development of HPLC methods and the exploration of separation mechanisms.In the context of informatization,the development and separation mechanism research of HPLC methods assisted by computer technology not only broadened the development path of complex compounds,but also improved the efficiency of HPLC method development and chromatographic column structure design,while greatly reducing the use of organic solvents,which was in line with the development concept of green chemistry.The organic combination of computer simulation technology and HPLC technology is the main research direction for future chromatography workers.This review can provide guidance for the development and application transformation of HPLC analysis technology and computer simulation technology.