TY - JOUR AB - The 16th International Congress on Combustion By-Products and their Health Effects (PIC2019) was held in Ann Arbor, Michigan, from July 10 to 12, 2019. For the last 28 years, this conference has served as an interdisciplinary platform for the discussion of the formation, environmental fate, health effects, policy, and remediation of combustion by-products. The technical areas for PIC2019 included mobile and stationary sources in urban environments, open fires, in- door air pollution, and halogenated pollutants. The congress was sponsored by the National Institute of Environmental Health Sciences (NIEHS), the U.S. EPA, the School of Public Health at the University of Michigan, the Civil and Environmental Engineering Department at the University of Michigan, the Mechanical Engineering Department at the University of Michigan, the Aerospace Engineering Department at the University of Michigan, and the Climate and Space Sciences and Engineering Department at the University of Michigan. Special features of the conference included a career path and round table discussion on translating research and engaging communities. AU - Violi, A.* AU - Cormier, S.* AU - Gullett, B.* AU - Jansson, S.* AU - Lomnicki, S.* AU - Luyet, C.* AU - Mayer, A.* AU - Zimmermann, R. C1 - 59932 C2 - 49805 CY - The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1gb, Oxon, England TI - Combustion by-products and their health effects: Summary of the 16th international congress. JO - Fuel VL - 283 PB - Elsevier Sci Ltd PY - 2021 SN - 0016-2361 ER - TY - JOUR AB - Normal and reversed phase column combinations for comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry were evaluated concerning their suitability for the analysis of common commercial available middle distillates. Compound classes were identified and quantified by applying a previously developed data evaluation method (Jennerwein et al., 2014) [1] for middle distillates based on GC x GC-TOFMS using "normal phase" column combination and Visual Basic Scripting (VBS). The GC x GC-TOFMS methodology was transferred to a "reversed phase" column combination and it could be found, that this kind of column combination provides advantages for the quantification of petrochemical samples in terms of precision of the results. Special improvements were observed for the quantification of aromatics and paraffins. AU - Jennerwein, M.* AU - Eschner, M.* AU - Wilharm, T.* AU - Gröger, T.M. AU - Zimmermann, R. C1 - 54079 C2 - 45683 CY - The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1gb, Oxon, England SP - 336-338 TI - Evaluation of reversed phase versus normal phase column combination for the quantitative analysis of common commercial available middle distillates using GC x GC-TOFMS and Visual Basic Script. JO - Fuel VL - 235 PB - Elsevier Sci Ltd PY - 2019 SN - 0016-2361 ER - TY - JOUR AB - A study about the chemical composition of carbonaceous fine particulate emissions of flexible fuel direct injection spark ignition engine under high velocity and municipal conditions was conducted with two different gasoline-ethanol blended fuels (E10 and E85). A self-designed engine test cycle simulating high vehicle velocity conditions of up to of 180 km/h was introduced (high velocity driving cycle, HVDC), simulating a possible motorway scenario without speed legislations as allowed in Germany, and compared to a municipal driving cycle (MDC), which is derived from the New European Driving Cycle (NEDC). The fingerprint of polycyclic aromatic hydrocarbons (PAHs) and their alkylated and oxygenated derivatives as well as the concentrations for PM2.5, elemental carbon (EC), organic carbon (OC) and also for the three most abundant PAHs were determined using a modified thermal optical carbon analyser (TOCA) hyphenated to soft resonance-enhanced multi-photon ionisation mass spectrometry (REMPI-TOFMS). Driving under high velocity conditions resulted in a significant increase of concentrations for PM, EC, OC, methyl-phenanthrenes and pyrene. Engine operation on E85 led to a strong decrease for all concentrations for both cycles. A good correlation was found between concentrations obtained by REMPI-TOFMS and TD-GC/MS. Most prominent PAHs were the alkylated series of phenanthrene, pyrene and naphthalene, whereby the abundances decrease with increasing degree of alkylation. The organic composition between HVDC and MDC mainly differed in quantity and to a lower extent in the aromatic pattern. Nevertheless, methyl-phenanthrenes, pyrene and methyl-pyrenes as well as 4H-cyclopenta[def] phenanthrene and benzo[b]naphtho[1,2-d]furan/benzo[b]naphtho[2,3-d] furan and it alkylated series showed a higher abundance in the pattern under high velocity conditions, where alkylated naphthalenes were enhanced in the MDC mode. AU - Miersch, T.* AU - Czech, H.* AU - Stengel, B.* AU - Abbaszade, G. AU - Orasche, J. AU - Sklorz, M. AU - Streibel, T. AU - Zimmermann, R. C1 - 54557 C2 - 45684 CY - The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1gb, Oxon, England SP - 1465-1473 TI - Composition of carbonaceous fine particulate emissions of a flexible fuel DISI engine under high velocity and municipal conditions. JO - Fuel VL - 236 PB - Elsevier Sci Ltd PY - 2019 SN - 0016-2361 ER - TY - JOUR AB - A non-targeted study of hydraulic fracturing fluids and corresponding flowback fluids allows for the understanding of the origin of wastewater constituents and provides insight into chemical signatures that may inform wastewater management practices for unconventional gas development. The source water for the hydraulic fracturing fluids, the actual hydraulic fracturing fluids used in four stimulation stages, and four flowback samples were obtained from a single unconventional gas well located in northeastern, PA. The chemical complexity of these fluids required high-resolution non-targeted methodologies. Analyses were therefore performed by GC x GC-TOFMS with the use of mass spectral scripting algorithms to expedite data analysis while maintaining a discovery approach. Our results indicate that during the flowback period hydrocarbon concentrations increase with time. The relative chemical composition remains nearly constant, which is hypothesized to be representative of the hydrocarbons present in the native shale that were extracted during the hydraulic fracturing process. Additionally, a comparison of fracturing fluids and flowback with high-resolution time-of-flight mass spectrometry inferred the fate of three common organic modifiers: ethylene glycol, glutaraldehyde, and cinnamaldehyde. It was determined that ethylene glycol is removed from the well within the first four days of flowback, while polymerization reactions are primary mechanisms of glutaraldehyde and cinnamaldehyde transformation. AU - Piotrowski, P.K.* AU - Weggler, B.A.* AU - Barth-Naftilan, E.* AU - Kelly, C.N.* AU - Zimmermann, R. AU - Saiers, J.E.* AU - Dorman, F.L.* C1 - 53251 C2 - 44518 CY - Oxford SP - 363-369 TI - Non-Targeted chemical characterization of a Marcellus shale gas well through GC x GC with scripting algorithms and high-resolution time-of-flight mass spectrometry. JO - Fuel VL - 215 PB - Elsevier Sci Ltd PY - 2018 SN - 0016-2361 ER - TY - JOUR AB - In this scientific contribution we verified the qualitative and quantitative validity of the DIN EN 12916 or ASTM D6591 based on high performance liquid chromatography with a refractive index detector (HPLC – RID) for the correct determination of aromatic compounds in middle distillates. This was achieved by investigating the influence of the potential insufficient LC separation of aromatic and aliphatic compound classes. The eluent from the HPLC was fractionized according its elution time and these fractions were subsequently analyzed (offline) by comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS). The methodology was evaluated for common commercial available middle distillates (B0 and B7 Diesel, light heating oil and jet fuel), mixtures of pure diesel fuel with up to 7% hydrogenated vegetable oil (HVO), which serves as an example for a modern advanced premium diesel fuel and different amounts of mono and di-aromatic compounds in HVO as matrix. Compound classes were identified and quantified by applying a data evaluation method which was previously developed in-house [2] for middle distillates based on GC×GC-TOFMS and Visual Basic Scripting (VBS). Our findings show that the deviations between the results obtained by the GCxGC–MS vs. DIN EN 12916 could be attributed to insufficient separation between compound classes when using the DIN EN 12916 method for current middle distillates. The composition of modern fuels furthermore affects the qualitative as well as the quantitative outcome of industrial established standard methods, and that it is pivotal to revise and develop these analytical techniques in a consequential manner as the composition of fuels and petrochemical products will change and be adapted accordingly to legislative, commercial and environmental changes. AU - Jennerwein, M. AU - Sutherland, A.C. AU - Eschner, M.* AU - Gröger, T.M. AU - Wilharm, T.* AU - Zimmermann, R. C1 - 49549 C2 - 30083 CY - Oxford SP - 16-25 TI - Quantitative analysis of modern fuels derived from middle distillates – The impact of diverse compositions on standard methods evaluated by an offline hyphenation of HPLC-refractive index detection with GC×GC-TOFMS. JO - Fuel VL - 187 PB - Elsevier Sci Ltd PY - 2017 SN - 0016-2361 ER - TY - JOUR AB - A study about the temporal variation of organic emissions from a modern wood log fired masonry heater was carried out with different gas analysis techniques: single-photon ionisation time-of-flight mass spectrometry (SPI-TOFMS) for real-time analysis of volatile (VOC), intermediate-volatile (IVOC) and semi-volatile organic compounds (SVOC), and a gas analyser system for gaseous components CO2, CO, NOx and organic gaseous carbon (OGC, quantified by flame ionisation detector). The emissions of three in Europe common types of firewood (beech, birch and spruce) were investigated by combustion of six consecutive batches of 2.5 kg each over 4 h. Batchwise emissions and temporal variations during combustion were discussed. Emission factors over the whole combustion cycle for OGC, VOC and IVOC were right up to one order of magnitude lower than in many previous studies due to latest improvements of air staging technology in wood log fired masonry heaters, whereas CO and NOx remained comparable. Regarding each combustion experiment, more than 50% of the total intensity of the mass spectra occurred during the combustion of the first two batches. Moreover, the molecular signatures of burning phases ('ignition', 'stable combustion' and 'ember') were examined by using non-negative matrix factorisation (NMF) and principal component analysis (PCA) in sequence. Marker substances for wood or biomass combustion, such as phenolic species or furan derivatives, exhibited highest relative abundance during 'stable combustion', whereas 'ember' is distinctly characterised by polyunsaturated hydrocarbons, such as benzene or naphthalene, through pyrosynthesis; in 'ignition', secondary decomposition products dominated. Nevertheless, highest quantitative emissions always occurred during 'ignition' at the beginning of each batch, followed by the phases 'ember' and 'stable combustion'. AU - Czech, H.* AU - Sippula, O.* AU - Kortelainen, M.* AU - Tissari, J.* AU - Radischat, C.* AU - Passig, J.* AU - Streibel, T. AU - Jokiniemi, J.* AU - Zimmermann, R. C1 - 48446 C2 - 41184 CY - Oxford SP - 334-342 TI - On-line analysis of organic emissions from residential wood combustion with Single-Photon Ionisation Time-Of-Flight Mass Spectrometry (SPI-TOFMS). JO - Fuel VL - 177 PB - Elsevier Sci Ltd PY - 2016 SN - 0016-2361 ER - TY - JOUR AU - Sánchez-Hervás, J.M.* AU - Armesto, L.* AU - Ruiz-Martínez, E.* AU - Otero-Ruiz, J.* AU - Pandelova, M. AU - Schramm, K.-W. C1 - 2032 C2 - 23518 SP - 2149-2157 TI - PCDD/PCDF emissions from co-combustion of coal and PVC in a bubbling fluidised bed boiler. JO - Fuel VL - 84 PY - 2005 SN - 0016-2361 ER -