title: Positive and negative electrospray ionization analyses of the organic fractions in raw and oxidized oil sands process-affected water.
abstract: This work investigated the oxidative transformation of the organic species in oil sands process-affected water (OSPW) using Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) and ultra-performance liquid chromatography time-of-flight mass spectrometry (UPLC-TOF-MS) in both negative and positive electrospray ionization (ESI) modes. This is the first time to apply FTICR-MS to investigate species transformation in OSPW treatments by ferrate (VI), UV/H2O2, and molecular ozone, and also this is the first preliminary study to use positive ESI to investigate organic species in addition to naphthenic acids (NAs) in these treatment processes. The oxidation processes with potassium ferrate (VI), UV/H2O2, and ozone transformed the distribution profiles of Ox, OxSy, and OxNyorganic fractions (i.e., species containing oxygen, sulfur, and nitrogen, with x, y specifying the oxygen number and sulfur/nitrogen number, respectively), with OxSydistribution profiles showing the most sensitive responses to the oxidation extent and can be used as a signature fraction to evaluate the oxidation effectiveness. Negative mode UPLC-TOF-MS confirmed the transformation pattern of Oxspecies observed with FTICR-MS, but positive mode UPLC-TOF-MS results showed severe discrepancies with FTICR-MS results and should be subjected for future further investigation, regarding the relatively low mass resolution of UPLC-TOF-MS. The investigation of the transformation patterns of different organic species using two ionization modes was a preliminary study to enhance the understanding of the efficiency, selectivity, and mechanism of different oxidation processes in OSPW remediation for both NAs and non-NA species.
authors.affiliation: Department of Civil and Environmental Engineering, University of Alberta, Edmonton, Alberta, T6G 1H9, Canada.
authors.forename: Chengjin
authors.initials: C
authors.lastname: Wang
authors.affiliation: Department of Civil and Environmental Engineering, University of Alberta, Edmonton, Alberta, T6G 1H9, Canada.
authors.forename: Rongfu
authors.initials: R
authors.lastname: Huang
authors.affiliation: Department of Civil and Environmental Engineering, University of Alberta, Edmonton, Alberta, T6G 1H9, Canada.
authors.forename: Nikolaus
authors.initials: N
authors.lastname: Klamerth
authors.affiliation: Department of Civil and Environmental Engineering, University of Alberta, Edmonton, Alberta, T6G 1H9, Canada.
authors.forename: Pamela
authors.initials: P
authors.lastname: Chelme-Ayala
authors.affiliation: Department of Civil and Environmental Engineering, University of Alberta, Edmonton, Alberta, T6G 1H9, Canada. Electronic address: mgamalel-din@ualberta.ca.
authors.forename: Mohamed
authors.initials: M
authors.lastname: Gamal El-Din
mesh_terms: D002264:Carboxylic Acids / Q000032:analysis; D002853:Chromatography, Liquid; D004784:Environmental Monitoring / Q000379:methods*; D052918:Environmental Restoration and Remediation / Q000379:methods*; D006861:Hydrogen Peroxide / Q000737:chemistry; D058085:Iron Compounds / Q000737:chemistry*; D061329:Oil and Gas Fields / Q000737:chemistry*; D010084:Oxidation-Reduction; D010126:Ozone / Q000737:chemistry*; D017680:Potassium Compounds / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization; D014466:Ultraviolet Rays; D014874:Water Pollutants, Chemical / Q000032:analysis* / Q000378:metabolism*; D018508:Water Purification / Q000379:methods
chemical_list: D002264:Carboxylic Acids; D058085:Iron Compounds; D017680:Potassium Compounds; D014874:Water Pollutants, Chemical; C044384:potassium ferrate; D010126:Ozone; D006861:Hydrogen Peroxide; C046170:naphthenic acid
keywords: FTICR-MS; Ferrate(VI); Oil sands process-affected water; Ozone; UPLC-TOF-MS; UV/Hydrogen peroxide