Tran, Luc-Sy Li, Yuyang Zeng, Meirong Pieper, Julia Qi, Fei Battin-Leclerc, Frédérique Kohse-Höinghaus, Katharina Herbinet, Olivier
Published in
Zeitschrift für Physikalische Chemie
Diethyl ether (DEE) has been proposed as a biofuel additive for compression-ignition engines, as an ignition improver for homogeneous charge compression ignition (HCCI) engines, and as a suitable component for dual-fuel mixtures in reactivity-controlled compression ignition (RCCI) engines. The combustion in these engines is significantly controlled...
Kawka, L. Juhász, G. Papp, M. Nagy, T. Zsély, I. Gy. Turányi, T.
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Zeitschrift für Physikalische Chemie
Ammonia is a potential fuel for the storage of thermal energy. Experimental data were collected for homogeneous ammonia combustion: ignition delay times measured in shock tubes (247 data points in 28 datasets from four publications) and species concentration measurements from flow reactors (194/22/4). The measurements cover wide ranges of temperatu...
Adamson, Brian A. Skeen, Scott A. Ahmed, Musahid Hansen, Nils
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Zeitschrift für Physikalische Chemie
The irreversible dimerization of polycyclic aromatic hydrocarbons (PAHs) – typically pyrene (C16H10) dimerization – is widely used in combustion chemistry models to describe the soot particle inception step. This paper concerns itself with the detection and identification of dimers of flame-synthesized PAH radicals and closed-shell molecules and an...
Gratzfeld, Dennis Heitkämper, Juliane Debailleul, Julien Olzmann, Matthias
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Zeitschrift für Physikalische Chemie
The influence of water molecules on the kinetics of urea condensation reactions was studied with high-level quantum chemical methods and statistical rate theory. The study focuses on the production of biuret, triuret, and cyanuric acid from urea because of their relevance as unwanted byproducts in the urea-based selective catalytic reduction (urea-...
Friedrichs, Gernot Hansen, Nils
Published in
Zeitschrift für Physikalische Chemie
Riaz, Saira Friedrichs, Gernot
Published in
Zeitschrift für Physikalische Chemie
Self-assembled monolayers (SAMs) of azobenzene (AB) functionalized alkyl thiols on gold diluted with simple alkyl thiols provide a straightforward way to photochromic surfaces with high and tunable photoswitching efficiency. Trans-cis isomerization of the AB molecule changes the physical properties of the surface, including the nonlinear optical (N...
Lengsfeld, Kevin Gregor Buschmann, Philipp Kats, Pavel Siekmann, Dirk Herbers, Sven Adam Obenchain, Daniel Genuit, Stefanie Höhne, Cara Marie Grabow, Jens-Uwe
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Zeitschrift für Physikalische Chemie
High-resolution rotational spectroscopy was used to investigate the conformational landscape of methyl-3,3,3-trifluoropyruvate, a small, partially-fluorinated molecule, which is of interest because of its chemical properties and reactivity in contrast to the unfluorinated species. Methyl 3,3,3-trifluoropyruvate is also subject to two possible large...
Kaiser, B. Frotscher, L. Jaegermann, W.
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Zeitschrift für Physikalische Chemie
Sela, Paul Peukert, Sebastian Herzler, Jürgen Schulz, Christof Fikri, Mustapha
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Zeitschrift für Physikalische Chemie
Shock-tube experiments have been performed to investigate the thermal decomposition of octamethylcyclotetrasiloxane (D4, Si4O4C8H24) and hexamethylcyclotrisiloxane (D3, Si3O3C6H18) behind reflected shock waves by gas chromatography/mass spectrometry (GC/MS) and high-repetition-rate time-of-flight mass spectrometry (HRR-TOF-MS) in a temperature rang...
Wang, Lian Zhang, Song Wang, Ye Zhang, Bing
Published in
Zeitschrift für Physikalische Chemie
Dibenzofuran (DBF) has attracted much attention from scientists recently since it is applied as a photoluminescence material and pharmaceutically active compound. Since the polychlorinated derivatives are highly toxic and manifest photostability in the environment. Femtosecond transient absorption spectroscopy associated with quantum chemical calcu...
