Data Visualization for the Characterization of Naphthenic Acids within Petroleum Samples

Abstract

Fourier transform ion cyclotron resonance mass spectrometry has made a significant contribution to the characterization of naphthenic acids in petroleum samples. The characterization of naphthenic acids is of particular interest due to their believed involvement in corrosion and deposit formation, as well as their toxicity toward aquatic organisms. Analysis of a complex mixture, such as a petroleum sample, can present challenges in terms of data analysis and visualization. A variety of graphical methods for representing the data are evaluated, and the use of a heat map, a method primarily used within molecular biology, is highlighted. An Athabasca oil sands sample was characterized and compounds of the empirical formula C n H 2n+z O x , where x ) 2-5, were observed. The range of oxygen content is of particular relevance in light of other research, which has shown that the total acid number of a petroleum sample is not a reliable method for evaluating the acid content, as not all of the acids are monoprotic.

Occurrences and Behaviors of Naphthenic Acids in a Petroleum Refinery Wastewater Treatment Plant

“…10,34,35,37,43,44 Concentration ratios between oxy-NAs and NAs has been successfully applied to the assessment of weathering characteristics of NAs in the oil spilled area. 10,35 Thus, the concentration ratios (O 3 −NAs/NAs) were used to assess the biodegradation of NAs in the petroleum refinery wastewater plant.…”

Beyond Naphthenic Acids: Environmental Screening of Water from Natural Sources and the Athabasca Oil Sands Industry Using Atmospheric Pressure Photoionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

“…During the analysis of the 12 samples, the root mean squared (RMS) error for all assignments associated with an entire mass spectrum was typically in the range of 0.09-0.22ppm. Following assignments of the signals observed, it was possible to use a variety of methods to visualize the results [13]. Using the compositional assignments and subsequent categorization by heteroatom content, principal component analysis (PCA) [40] was performed using the contributions from each of the compound classes to each sample.…”

“…Naphthenic acids have traditionally been defined as carboxylic acids containing one or more saturated rings, but this definition has broadened as new compound classes have recently been elucidated. They have been amongst the most studied of the OSPW components [5][6][7][8][9][10][11][12][13][14][15][16][17][18] and their remediation from the oil sands industry has attracted attention [19][20][21].…”

Toxicity of naphthenic acid fraction components extracted from fresh and aged oil sands process-affected waters, and commercial naphthenic acid mixtures, to fathead minnow (Pimephales promelas) embryos

“…NAs refined from petroleum are also commercially produced for use as textile and wood preservatives, surfactants, paint driers, and to promote adhesion during tire manufacture (Brient et al, 1995). Related compounds are also found in oil due to the unveiling of new compound classes, including aromatic, adamantane or diamondoid structures (Rowland et al, 2011a,b,c) as well as sulphur-and nitrogen-containing compounds and multiple oxygenated acid species (Barrow et al, 2009;Bataineh et al, 2006;Headley et al, 2011Headley et al, , 2013a. The term 'naphthenic acid fraction components' (NAFCs) will be used here to capture this wide range of extracted components studied in this investigation.…”