Theoretical Study on Chromatographic Retention Behavior and Development of Software for Petrochemical Products Analysis-Testing.

摘要

The reason of the applications of high performance liquid chromatography (HPLC) in different fields is mainly based on the development of chromatographic theory; therefore, it is necessary and important to study on the chromatographic retention mechanism. Recently, one of the chromatographic thermodynamic investigations is to explore the quantitative structure-retention (or activity) relationship (QSRR or QSAR), which can be employed not only to predict chromatographic retention behavior and selectivity and to calculate molecular structure parameters of solutes, but to lead to an understanding of the retention mechanism. The authors made a research which furnish the fresh ways for them to predict logk' values and to calculate delta(sub T) and logP (n-octanol/water partition coefficient) values.