Author
Kai Moshammer
Other affiliations: Bielefeld University, Sandia National Laboratories
Bio: Kai Moshammer is an academic researcher from German National Metrology Institute. The author has contributed to research in topics: Combustion & Mole fraction. The author has an hindex of 23, co-authored 51 publications receiving 1562 citations. Previous affiliations of Kai Moshammer include Bielefeld University & Sandia National Laboratories.
Topics: Combustion, Mole fraction, Mass spectrometry, Chemistry, Photoionization
Papers
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TL;DR: It is shown that the theoretical characterization of multiple conformeric structures of some intermediates is required when interpreting the experimentally observed ionization thresholds, and a simple method is presented for estimating the importance of multiple conformers at the estimated temperature (∼100 K) of the present molecular beam.
Abstract: In this paper we report the detection and identification of the keto-hydroperoxide (hydroperoxymethyl formate, HPMF, HOOCH2OCHO) and other partially oxidized intermediate species arising from the low-temperature (540 K) oxidation of dimethyl ether (DME). These observations were made possible by coupling a jet-stirred reactor with molecular-beam sampling capabilities, operated near atmospheric pressure, to a reflectron time-of-flight mass spectrometer that employs single-photon ionization via tunable synchrotron-generated vacuum-ultraviolet radiation. On the basis of experimentally observed ionization thresholds and fragmentation appearance energies, interpreted with the aid of ab initio calculations, we have identified HPMF and its conceivable decomposition products HC(O)O(O)CH (formic acid anhydride), HC(O)OOH (performic acid), and HOC(O)OH (carbonic acid). Other intermediates that were detected and identified include HC(O)OCH3 (methyl formate), cycl-CH2–O–CH2–O– (1,3-dioxetane), CH3OOH (methyl hydropero...
139 citations
TL;DR: In this article, the authors investigated the effect of the ammonia/hydrogen ratio in the fuel mixture and the equivalence ratio of NH3/O2 mixtures in a rapid compression machine at pressures from 20 to 60 bar, temperatures from 950 to 1150 K, and equivalence ratios from 0.5 to 2.
138 citations
TL;DR: In this article, a combination of high-resolution in situ molecular-beam mass spectrometry (MBMS) and in situ gas chromatography (GC) was used to detect stable and reactive species.
135 citations
TL;DR: These findings improve the understanding of autooxidation reaction mechanisms that are routinely used to predict fuel ignition and oxidative stability of liquid hydrocarbons, while also providing insights relevant to the formation mechanisms of tropospheric aerosol building blocks.
Abstract: Decades of research on the autooxidation of organic compounds have provided fundamental and practical insights into these processes; however, the structure of many key autooxidation intermediates and the reactions leading to their formation still remain unclear. This work provides additional experimental evidence that highly oxygenated intermediates with one or more hydroperoxy groups are prevalent in the autooxidation of various oxygenated (e.g., alcohol, aldehyde, keto compounds, ether, and ester) and nonoxygenated (e.g., normal alkane, branched alkane, and cycloalkane) organic compounds. These findings improve our understanding of autooxidation reaction mechanisms that are routinely used to predict fuel ignition and oxidative stability of liquid hydrocarbons, while also providing insights relevant to the formation mechanisms of tropospheric aerosol building blocks. The direct observation of highly oxygenated intermediates for the autooxidation of alkanes at 500-600 K builds upon prior observations made in atmospheric conditions for the autooxidation of terpenes and other unsaturated hydrocarbons; it shows that highly oxygenated intermediates are stable at conditions above room temperature. These results further reveal that highly oxygenated intermediates are not only accessible by chemical activation but also by thermal activation. Theoretical calculations on H-atom migration reactions are presented to rationalize the relationship between the organic compound's molecular structure (n-alkane, branched alkane, and cycloalkane) and its propensity to produce highly oxygenated intermediates via extensive autooxidation of hydroperoxyalkylperoxy radicals. Finally, detailed chemical kinetic simulations demonstrate the influence of these additional reaction pathways on the ignition of practical fuels.
116 citations
TL;DR: Zhao et al. as mentioned in this paper developed an extended and updated kinetic model of DME oxidation from the widely used model of Z. Zhao, M. Chaos, A. Kazakov, F.L. Dryer, Int. J. Chem. 40 (2008) 1−18.
114 citations
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TL;DR: In this paper, a review of the current understanding of the mechanisms that are responsible for combustion-generated nitrogen-containing air pollutants is discussed, along with the chemistry of NO removal processes such as reburning and selective non-catalytic reduction of NO.
796 citations
TL;DR: A detailed overview of recent results on alcohol combustion can be found in this paper, with a particular emphasis on butanols and other linear and branched members of the alcohol family, from methanol to hexanols.
676 citations
TL;DR: The state of the art and further challenges of combustion chemistry research in laminar flames are reviewed in this paper, where various methods considered in this review are the flat, low-pressure, burner-stabilized premixed flame for chemical speciation studies, and the stagnation, spherically expanding, and burner stabilised flames for determining the global flame properties.
444 citations
01 Jan 2016
TL;DR: The elements of chemical reaction engineering is universally compatible with any devices to read as discussed by the authors and is available in our book collection and an online access to it is set as public so you can download it instantly.
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430 citations
01 Jan 2017
TL;DR: In this paper, the authors thank the entire group members at Combustion Chemistry Centre for helpful discussions, which was supported by Saudi Aramco under the FUELCOM program.
Abstract: The authors thank the entire group members at Combustion Chemistry Centre for helpful discussions. This work at NUI Galway was supported by Saudi Aramco under the FUELCOM program.
351 citations