title: High performance liquid chromatography of substituted aromatics with the metal-organic framework MIL-100(Fe): Mechanism analysis and model-based prediction.
abstract: Metal-organic framework (MOF) MIL-100(Fe) with well-defined thickness was homogenously coated onto the outer surface of magnetic microparticles via a liquid-phase epitaxy method. The as-synthesized MIL-100(Fe) was used as stationary phase for high-performance liquid chromatography (HPLC) and separations of two groups of mixed aromatic hydrocarbons (toluene, styrene and p-xylene; acetanilide, 2-nirtoaniline and 1-naphthylamine) using methanol/water as mobile phase were performed to evaluate its performance. Increasing water content of the mobile phase composition can greatly improve the separations on the expense of a longer elution time. Stepwise elution significantly shortens the elution time of acetanilide, 2-nirtoaniline and 1-naphthylamine mixtures, while still achieving a baseline separation. Combining the experimental results and in-depth modeling using a recently developed chromatographic software (ChromX), adsorption equilibrium parameters, including the affinities and maximum capacities, for each analyte toward the MIL-100(Fe) are obtained. In addition, the pore diffusivity of aromatic hydrocarbons within MIL-100(Fe) was determined to be 5×10(-12)m(2)s(-1). While the affinities of MIL-100(Fe) toward the analyte molecules differs much, the maximum capacities of the analytes are in a narrow range with q*MOFmax,toluene=3.55molL(-1), q*MOFmax,styrene or p-xylene=3.53molL(-1), and q*MOFmax,anilines=3.12molL(-1) corresponding to approximately 842 toluene and 838 styrene or p-xylene, and 740 aniline molecules per MIL-100(Fe) unit cell, respectively.
authors.affiliation: Institute of Functional Interfaces (IFG), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany.
authors.forename: Weiwei
authors.initials: W
authors.lastname: Qin
authors.affiliation: Roche Diagnostics GmbH, DXRERA7D6164, Nonnenwald 2, 82377 Penzberg, Germany.
authors.forename: Martin Eduardo
authors.initials: ME
authors.lastname: Silvestre
authors.affiliation: Institute of Functional Interfaces (IFG), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany.
authors.forename: Yongli
authors.initials: Y
authors.lastname: Li
authors.affiliation: Institute of Functional Interfaces (IFG), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany. Electronic address: matthias.franzreb@kit.edu.
authors.forename: Matthias
authors.initials: M
authors.lastname: Franzreb
mesh_terms: D015057:1-Naphthylamine / Q000032:analysis; D000083:Acetanilides / Q000032:analysis; D000814:Aniline Compounds / Q000032:analysis; D002851:Chromatography, High Pressure Liquid; D006841:Hydrocarbons, Aromatic / Q000032:analysis*; D007501:Iron; D053768:Metal Nanoparticles; D009942:Organometallic Compounds / Q000737:chemistry*; D020058:Styrene / Q000032:analysis; D014050:Toluene / Q000032:analysis; D014992:Xylenes / Q000032:analysis
chemical_list: D000083:Acetanilides; D000814:Aniline Compounds; D006841:Hydrocarbons, Aromatic; D009942:Organometallic Compounds; D014992:Xylenes; C578169:2-nitroaniline; D014050:Toluene; D020058:Styrene; C031286:4-xylene; D015057:1-Naphthylamine; D007501:Iron; C023650:aniline; C508827:acetanilide
keywords: Isotherm parameter; Liquid chromatography; Metal–organic framework (MOF); Modeling; Separation