title: Study of the slope of the linear relationship between retention and mobile phase composition (Snyder-Soczewiñski model) in normal phase liquid chromatography with bonded and charge-transfer phases.
abstract: The Snyder model and the Soczewiñski model are compared on classic NPLC bonded phases using literature data, and on the charge transfer 2, 4-dinitroanilinopropyl (DNAP) column using experimentally collected data. Overall, the Snyder model slightly better predicts the n-slope than the Soczewiñski model. However, both models give comparable uncertainty in predicting n-slope for a given compound. The number of aromatic double bonds was the most suitable descriptor for estimating the relative n-slope of PAHs, as it correlated with behavior better than the number of aromatic rings and is simpler to calculate than the solute adsorption area. On the DNAP phase, a modified Soczewiñski model is suggested to allow for the significant contribution of the aromatic rings to the n-slope. For classic NPLC bonded phases and DNAP columns, the contribution of polar group to the n-slope parallels the adsorption energy of each polar group.
authors.affiliation: Department of Chemistry, University of Alberta, Gunning/Lemieux Chemistry Centre, Edmonton, Alberta T6G 2G2 Canada.
authors.forename: Di
authors.initials: D
authors.lastname: Wu
authors.affiliation: Department of Chemistry, University of Alberta, Gunning/Lemieux Chemistry Centre, Edmonton, Alberta T6G 2G2 Canada. Electronic address: charles.lucy@ualberta.ca.
authors.forename: Charles A
authors.initials: CA
authors.lastname: Lucy
mesh_terms: D000327:Adsorption; D002853:Chromatography, Liquid; D008956:Models, Chemical; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry*
chemical_list: D011084:Polycyclic Aromatic Hydrocarbons
keywords: Charge transfer liquid chromatography; DNAP; Normal phase liquid chromatography; Polar bonded stationary phase; Snyder-Soczewiñski model