Lelevic Aleksandra, Geantet Christophe, Lorentz Chantal, Moreaud Maxime, Souchon Vincent
IFP Energies nouvelles, Rond-point de l'échangeur de Solaize BP 3, 69360 Solaize, France.
Université de Lyon, Université Claude Bernard Lyon 1, Ircelyon, CNRS, Villeurbanne, F-69626 Lyon, France.
J Chromatogr Sci. 2023 Dec 30;62(1):8-20. doi: 10.1093/chromsci/bmad019.
Modulation is the key element of the comprehensive 2D gas chromatography separation. Forward fill/flush flow modulation is cost effective, robust and suitable for analysis of a wide range of samples. Even though this modulation system is well known, studies regarding its optimization are sparse. In this work, based on hundreds of experiments involving multiple column sets and modulation conditions, an approach was proposed that permits to facilitate the choice of the forward fill/flush flow modulation parameters. A score function was developed that allows to predict the forward fill/flush flow modulation process efficiency as judged by the modulated peak shape. The score function was based on the physical rules for optimized and quantitative forward fill/flush flow modulation proposed in our previous work, which state that the sum of the fill and flush modulation distances should be close to the modulation channel length and that the ratio of the flush and fill distances should be sufficiently high for efficient channel flushing. The score function was embedded in a freely available tool in the form of a forward fill/flush flow modulation calculator, which allows the user either to quickly check the relevancy of the modulation operating conditions or to obtain a suggestion for optimal modulation parameters.
调制是全二维气相色谱分离的关键要素。正向填充/吹扫流调制具有成本效益、稳健且适用于多种样品的分析。尽管这种调制系统广为人知，但关于其优化的研究却很少。在这项工作中，基于数百次涉及多组色谱柱和调制条件的实验，提出了一种有助于选择正向填充/吹扫流调制参数的方法。开发了一个评分函数，该函数可以根据调制峰形预测正向填充/吹扫流调制过程的效率。该评分函数基于我们之前工作中提出的优化和定量正向填充/吹扫流调制的物理规则，即填充和吹扫调制距离之和应接近调制通道长度，并且吹扫与填充距离之比应足够高以实现有效的通道吹扫。该评分函数以正向填充/吹扫流调制计算器的形式嵌入到一个免费工具中，用户可以使用该工具快速检查调制操作条件的相关性，或获得最佳调制参数的建议。
