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- Rybka, Julia, et al. Show all 4 Authors
- Journal of physical chemistry 2019 v.123 no.6 pp. 3672-3681
- acetonitrile; hydrophobicity; lubrication; molecular dynamics; reversed-phase liquid chromatography; simulation models; solvents
- ... In reversed-phase liquid chromatography (RPLC), analyte molecules retained on the hydrophobic stationary phase can undergo fast surface diffusion within an acetonitrile (ACN)-rich border layer between the stationary phase and the water (W)–ACN mobile phase. We perform molecular dynamics simulations in an RPLC mesopore model employing an endcapped C₁₈ phase to determine retention and diffusive mobi ...
- Rybka, Julia, et al. Show all 3 Authors
- The Journal of Physical Chemistry C 2017 v.121 no.33 pp. 17907-17920
- diffusivity; hydrophobicity; molecular dynamics; reversed-phase liquid chromatography; simulation models; solvents
- ... In reversed-phase liquid chromatography (RPLC), retained analytes can diffuse faster along the hydrophobic surface of the stationary phase than when dissolved in the water (W)–acetonitrile (ACN) mobile phase. We investigate the surface diffusion of four typical aromatic hydrocarbon analytes in RPLC through molecular dynamics simulations in a slit-pore RPLC model consisting of a silica-supported, e ...