Metrics of separation performance in chromatography. Part 1. Definitions and application to static analyses

Abstract

Earlier introduced metrics of separation performance are described in a systematic way. After providing the definitions of the metrics suitable for a broad variety of applications, the study focuses on static analyses (isothermal GC, isocratic LC, etc.) and their general separation performance. Statistically expected number of resolved (adequately separated) single-component peaks is treated as the ultimate metric of general separation performance of chromatographic analysis. That number depends on the peak capacity of the analysis and the number of components in a test mixture. The peak capacity, in turn, depends on the separation capacity of a column and the lowest separation required by the data-analysis system for resolving poorly separated peaks. The separation capacity is a special case of a broader metric of the separation measure which is a function of column efficiency, solute separability, and the level of the solute interaction with a column stationary phase. The formulae for theoretical prediction of all these metrics for arbitrary pairs of peaks in static analyses are derived. To provide a better insight into the basic metrics of the separation performance, additional metrics such as the solute discrimination (relative difference in solute velocities), utilization of separability (solute discrimination per unit of their separability), specific separation (the separation per unit of separability), and others are defined and found for static analyses.