Hoyermann, Karlheinz

[["dc.bibliographiccitation.firstpage","8954"],["dc.bibliographiccitation.issue","31"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","8968"],["dc.bibliographiccitation.volume","12"],["dc.contributor.author","Hoyermann, Karlheinz"],["dc.contributor.author","Maarfeld, Sven"],["dc.contributor.author","Nacke, Frank"],["dc.contributor.author","Nothdurft, Joerg"],["dc.contributor.author","Olzmann, Matthias"],["dc.contributor.author","Wehmeyer, Jens"],["dc.contributor.author","Welz, Oliver"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T08:48:26Z"],["dc.date.available","2018-11-07T08:48:26Z"],["dc.date.issued","2010"],["dc.description.abstract","The kinetics of cycloalkyl + O reactions were studied with respect to their rate coefficients and the product branching ratios from the decomposition of the chemically activated cycloalkoxy radicals. Rate coefficients for the reactions of cyclohexyl (c-C6H11), cycloheptyl (c-C7H13) and cyclooctyl (c-C8H15) radicals with oxygen atoms were determined with an experimental setup consisting of a discharge flow reactor with molecular beam sampling and REMPI/TOF-MS detection. The following rate coefficients were obtained (units: cm(3)/mol(-1) s(-1)): k(c-C6H11 + O) = (1.33 +/- 0.24) x 10(14)(T/298 K)(0.11) (T = 250-600 K), k(c-C7H13 + O) = (1.85 +/- 0.25) x 10(14) (T = 298 K), k(c-C8H15 + O) = (1.56 +/- 0.20) x 10(14)(T/298 K)(0.66+/-0.15) (T = 268-363 K). Stable products were determined by quantitative FTIR spectroscopy. The decomposition of the cycloalkoxy radicals leads besides beta-C-H bond fission (yields: 24% for c-C6H11O, 20-25% for c-C8H15O) mainly to alkyl radicals by ring-opening via beta-C-C bond cleavage. These open-chain alkyl radicals further decompose mainly by beta-C-C bond scission. An increase of the total pressure from 4 mbar to 1 bar had no effect on the product distribution for the reaction c-C6H11 + O, whereas for the reaction c-C8H15 + O further decomposition of the ring-opening product is significantly suppressed at 1 bar. The experimental results on the channel branching and its pressure dependence were rationalized with the statistical rate theory. A comparison of the experimental and modeling results indicates a significant influence of hindered internal rotations (HIRs) on the reactions of the ring-opening products. The harmonic approximation to describe these modes was shown to be inadequate, while a treatment as one-dimensional HIRs led to a significantly improved agreement between experimental and modeling results. Implications of our findings for the formation of secondary organic aerosol and high-temperature combustion are discussed."],["dc.identifier.doi","10.1039/b925920a"],["dc.identifier.isi","000280514800032"],["dc.identifier.pmid","20520884"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/21207"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9076"],["dc.title","Rate coefficients for cycloalkyl plus O reactions and product branching in the decomposition of chemically activated cycloalkoxy radicals: an experimental and theoretical study"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","409"],["dc.bibliographiccitation.issue","4-5"],["dc.bibliographiccitation.journal","ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS"],["dc.bibliographiccitation.lastpage","426"],["dc.bibliographiccitation.volume","223"],["dc.contributor.author","Hold, M."],["dc.contributor.author","Hoyermann, Karlheinz"],["dc.contributor.author","Morozov, I."],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T08:35:42Z"],["dc.date.available","2018-11-07T08:35:42Z"],["dc.date.issued","2009"],["dc.description.abstract","The primary product formation of the reactions CH2Cl + O and CHCl2 + O in the gas phase has been Studied around room temperature. The coupling of a conventional discharge flow reactor via a molecular sampling system to a mass spectrometer with electron impact ionization allowed the determination of labile and stable species (set-up A). The radicals are formed by H atom abstraction in the reactions CH3Cl + F and CH2Cl2 + F. The product analysis leads to the following branching fractions relative to precursor consumption: For CH2Cl + O, the channel HCHO + Cl yields 19 % and CO + HCl + H yields 43 %, the contributions of the labile species HCO is found but not quantified. For CHCl2 + O the channel CO + HCl + Cl yields 70 %, CICHO and the labile CICO are detected but not quantified. The comparison to CH3 + O shows the stepwise increase of channel fractions for the CO forming Mines by chlorination of the methyl radical. The rates of the reactions have been studied relative to CH3 + O and CH3OCH2 + O. Laser-induced multiphoton ionization combined with TOF mass spectrometry and molecular beam sampling front a flow reactor (set-up B) was used for the specific and sensitive detection of the CH2Cl, CHCl2, CH3, and CH3OCH2 radicals. The rate coefficient of the reactions CH2Cl + O was derived with reference to the reaction CH3OCH2 leading to k = (8.1 +/- 1.8) x 10(13) cm(3)/(mol.s) and for CHCl2 + O with reference to CH3 + O leading to k = (3.8 +/- 1.9) X 10(13) cm(3)/(mol.s). For CH3Cl + F and CH2Cl2 + F the rate coefficients have been determined with set-Lip A leading to k = (14.3 +/- 0.9)X 10(13) cm(3)/(mol.s) for CH3Cl + F and k = (8.4 +/- 3.8) X 10(13) cm(3)/(mol.s) for CH2Cl2 + F. Only a negligible temperature dependence in the temperature range from 250-360 K was observed for all reactions studied."],["dc.identifier.doi","10.1524/zpch.2009.6044"],["dc.identifier.isi","000268895100006"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/18136"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Oldenbourg Verlag"],["dc.relation.issn","0942-9352"],["dc.title","CH2Cl and CHCl2 Radical Chemistry: The Formation by the Reactions CH3Cl + F and CH2Cl2 + F and the Destruction by the Reactions CH2Cl + O and CHCl2 + O"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","283"],["dc.bibliographiccitation.journal","Proceedings of the Combustion Institute"],["dc.bibliographiccitation.lastpage","291"],["dc.bibliographiccitation.volume","33"],["dc.contributor.author","Hoyermann, Karlheinz"],["dc.contributor.author","Olzmann, Matthias"],["dc.contributor.author","Welz, Oliver"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T09:00:30Z"],["dc.date.available","2018-11-07T09:00:30Z"],["dc.date.issued","2011"],["dc.description.abstract","Reactions of hydrocarbon radicals with oxygen atoms are important in combustion, and both the rate coefficient and product branching have to be known for an accurate combustion modeling. In this work, the primary product formation in the reaction of the simplest open-chain secondary alkyl radical, iso-propyl (2-C3H7), with oxygen atoms in the gas phase was studied at room temperature and a pressure of 4 mbar. 2-C3H7 radicals were generated from diisopropylketone ((2-C3H7)(2)CO) and isopropyliodide (2-C3H7I), and O atoms were produced from SO2 by laser-flash photolysis at lambda = 193 nm, respectively. The reactants and products were detected by quantitative FTIR spectroscopy. The combined product analysis in the experiments with the different precursors leads to the following relative branching fractions: 2-C3H7 + O -> CH3CHO + CH3 (40%), CH3COCH3 + H (36%), C3H6 + OH (24%). The channel branching of the iso-propoxy (2-C3H7O) radical formed from the 2-C3H7 + O reaction was modeled using statistical rate theory with molecular and transition state data from G3MP2B3 calculations. The absolute rate of reaction was studied at room temperature and a pressure of 5.8 mbar. Laser-induced fluorescence (LIF) was used for the specific detection of the OH (v = 0,1) radicals, and the rate coefficient of the 2-C3H7 + O reaction was derived from the OH (v = 1) LIF-time profile leading to k(2-C3H7 + O) = (1.14 +/- 0.15) x 10(14) cm(3)/(mol.s) at 298 K. The OH-forming direct abstraction route and the channel to CH3CHO + CH3 may influence the flame speed of a propane flame. This is revealed, when the rate coefficient and channel branching of the 2-C3H7 + O reaction is incorporated in a suitable detailed reaction mechanism and target experiments are modeled in absence and presence of the title reaction. (C) 2010 The Combustion Institute. Published by Elsevier Inc. All rights reserved."],["dc.identifier.doi","10.1016/j.proci.2010.05.075"],["dc.identifier.isi","000285780200022"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/24179"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Elsevier Science Inc"],["dc.relation.issn","1540-7489"],["dc.title","The reaction of iso-propyl radicals with oxygen atoms: Rate coefficient, product branching, and relevance for combustion modeling"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1977"],["dc.bibliographiccitation.issue","9"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","1984"],["dc.bibliographiccitation.volume","7"],["dc.contributor.author","Hack, W."],["dc.contributor.author","Hold, M."],["dc.contributor.author","Hoyermann, Karlheinz"],["dc.contributor.author","Wehmeyer, Jens"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T08:46:34Z"],["dc.date.available","2018-11-07T08:46:34Z"],["dc.date.issued","2005"],["dc.description.abstract","The primary products and the rate of the reaction of methyl radicals with oxygen atoms in the gas phase at room temperature have been studied using three different experimental arrangements: ( A) laser. ash photolysis to produce CH3 and O from the precursors CH3I and SO2 (the educts and the products were detected by quantitative FTIR spectroscopy); ( B) the coupling of a conventional discharge flow reactor via a molecular sampling system to a mass spectrometer with electron impact ionization, which allowed the determination of labile and stable species; ( C) laser induced multiphoton ionization combined with a TOF mass spectrometer-molecular beam sampling-flow reactor, which was used for the specific and sensitive detection of the CH3, CD3, C2H5 and C2D5 radicals and the determination of rate coefficients. The branching ratio of the reaction channels was determined by the experimental arrangements (A) and (B) leading to CH3 + O -> HCHO + H (55 +/- 5)% -> CO + H-2 + H (45 +/- 5)%. The rate coefficients of the normal and deuterated methyl and ethyl radicals with atomic oxygen showed no isotope effect: k(CD3 + O)/k(CH3 + O) = 0.99 +/- 0.12, k(C2D5 + O)/k(C2H5 + O) = 1.01 +/- 0.07 (statistical error, 95% confidence level). The absolute rate coefficient of the reaction CH3 + O was derived with reference to the reaction C2H5 + O (k 1.04 x 10(14) cm(3) mol(-1) s(-1)) leading to k(CH3 + O) = (7.6 +/- 1.4) x 10(13) cm(3) mol(-1) s(-1)."],["dc.identifier.doi","10.1039/b419137d"],["dc.identifier.isi","000228634500014"],["dc.identifier.pmid","19787902"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/20725"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9076"],["dc.title","Mechanism and rate of the reaction CH3+O- revisited"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","157"],["dc.bibliographiccitation.journal","Proceedings of the Combustion Institute"],["dc.bibliographiccitation.lastpage","164"],["dc.bibliographiccitation.volume","32"],["dc.contributor.author","Hoyermann, Karlheinz"],["dc.contributor.author","Nacke, Frank"],["dc.contributor.author","Nothdurft, Joerg"],["dc.contributor.author","Olzmann, Matthias"],["dc.contributor.author","Wehmeyer, Jens"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T08:35:25Z"],["dc.date.available","2018-11-07T08:35:25Z"],["dc.date.issued","2009"],["dc.description.abstract","The primary product formation of the C(3)H(5) + O reaction in the gas phase has been studied at room temperature. Allyl radicals (C(3)H(5)) and O atoms were generated by laser flash photolysis at lambda = 193 nm of the precursors C(3)H(5)Cl, C(3)H(5)Br, C(6)H(10) (1,5-hexadiene), and SO(2), respectively. The educts and the products were detected by using quantitative FTIR spectroscopy. The combined product analysis of the experiments with the different precursors leads to the following relative branching fractions: C(3)H(5) + O -> C(3)H(4)O + H (47%), C(2)H(4) + H + CO (41'%), H(2)CO + C(2)H(2) + H (7%), CH(3)CCH + OH and CH(2)CCH(2) + OH (<5%). The rate of reaction has been studied relative to CH(3)OCH(2) + O and C(2)H(5) + O in the temperature range from 300 to 623 K. Here, the radicals were produced via the fast reactions of propene, dimethyl ether, and ethane, respectively, with atomic fluorine. Laser-induced multiphoton ionization combined with TOF mass spectrometry and molecular beam sampling from a flow reactor was used for the specific and sensitive detection of the C(3)H(5), C(2)H(5), and CH(3)COCH(2) radicals. The rate coefficient of the reaction C(3)H(5) + O was derived with reference to the reaction C(2)H(5) + O leading to k(C(3)H(5) + O) = (1.11 +/- 0.2) x 10(14) cm(3)/(mol s) in the temperature range 300-623 K. The C(3)H(5) + O rate and channel branching, when incorporated in a suitable detailed reaction mechanism, have a large influence on benzene and allyl concentration profiles in fuel-rich propene flames, on the propene flame speed, and on propene ignition delay times. (C) 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved."],["dc.identifier.doi","10.1016/j.proci.2008.06.220"],["dc.identifier.isi","000264756800013"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/18064"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Elsevier Science Inc"],["dc.relation.issn","1540-7489"],["dc.title","The reaction of allyl radicals with oxygen atoms-rate coefficient and product branching"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1005"],["dc.bibliographiccitation.journal","Proceedings of the Combustion Institute"],["dc.bibliographiccitation.lastpage","1013"],["dc.bibliographiccitation.volume","30"],["dc.contributor.author","Hack, W."],["dc.contributor.author","Hoyermann, Karlheinz"],["dc.contributor.author","Olzmann, M."],["dc.contributor.author","Viskolcz, B."],["dc.contributor.author","Wehmeyer, Jens"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T08:47:00Z"],["dc.date.available","2018-11-07T08:47:00Z"],["dc.date.issued","2005"],["dc.description.abstract","The reactions of the branched primary alkyl radicals iso-butyl and neo-pentyl radicals with atomic oxygen at room temperature and low pressure have been studied with respect to the mechanism of the multiple reaction channels and the rate coefficients. The primary products and the yield of the reaction channels have been determined by quantitative FTIR spectroscopy using laser flash photolysis for the production of the radicals and atoms (iSO-C4H10 + Cl, neo-C5H2 + Cl; Cl from the photolysis of CFCl3, O from SO2)- In an independent experimental arrangement of a conventional discharge flow reactor with molecular beam sampling, the hydrocarbon radicals were detected mass spectrometrically after specific laser induced multiphoton ionization, thus allowing the measurement of the rate coefficients with reference to the reaction C2H5 + O(k = 1.04 x 10(14) cm(3)/mol s). Both reactions show multichannel behaviour via the formation of a highly excited alkoxy radical followed by C-C and C-H bond cleavage and, in the case Of iso-C4H9 with a hydrogen atom in the 2-position, a direct abstraction to OH radicals: GRAPHICS The experimental results for the branching ratio for the C-C and C-H cleavage in the alkoxy intermediate are discussed in terms of statistical rate theory. (c) 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved."],["dc.identifier.doi","10.1016/j.proci.2004.08.072"],["dc.identifier.isi","000229944200107"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/20836"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Elsevier Science Inc"],["dc.publisher.place","New york"],["dc.relation.conference","30th International Symposium on Combustion"],["dc.relation.eventlocation","Univ Illinois Chicago, Chicago, IL"],["dc.relation.issn","1540-7489"],["dc.title","The reactions of the branched alkyl radicals iso-butyl and neo-pentyl with oxygen atoms - an experimental and theoretical study"],["dc.type","conference_paper"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","13608"],["dc.bibliographiccitation.issue","11"],["dc.bibliographiccitation.journal","Molecules"],["dc.bibliographiccitation.lastpage","13622"],["dc.bibliographiccitation.volume","18"],["dc.contributor.author","Seidel, Lars"],["dc.contributor.author","Hoyermann, Karlheinz"],["dc.contributor.author","Mauss, Fabian"],["dc.contributor.author","Nothdurft, Joerg"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T09:17:45Z"],["dc.date.available","2018-11-07T09:17:45Z"],["dc.date.issued","2013"],["dc.description.abstract","Photochemically driven reactions involving unsaturated radicals produce a thick global layer of organic haze on Titan, Saturn's largest moon. The allyl radical self-reaction is an example for this type of chemistry and was examined at room temperature from an experimental and kinetic modelling perspective. The experiments were performed in a static reactor with a volume of 5 L under wall free conditions. The allyl radicals were produced from laser flash photolysis of three different precursors allyl bromide (C3H5Br), allyl chloride (C3H5Cl), and 1,5-hexadiene (CH2CH(CH2)(2)CHCH2) at 193 nm. Stable products were identified by their characteristic vibrational modes and quantified using FTIR spectroscopy. In addition to the (re-) combination pathway C3H5+C3H5 -> C6H10 we found at low pressures around 1 mbar the highest final product yields for allene and propene for the precursor C3H5Br. A kinetic analysis indicates that the end product formation is influenced by specific reaction kinetics of photochemically activated allyl radicals. Above 10 mbar the (re-) combination pathway becomes dominant. These findings exemplify the specificities of reaction kinetics involving chemically activated species, which for certain conditions cannot be simply deduced from combustion kinetics or atmospheric chemistry on Earth."],["dc.description.sponsorship","Open-Access-Publikationsfonds 2013"],["dc.identifier.doi","10.3390/molecules181113608"],["dc.identifier.fs","600601"],["dc.identifier.isi","000330311500033"],["dc.identifier.pmid","24192913"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/9485"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/28241"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Mdpi Ag"],["dc.relation.issn","1420-3049"],["dc.rights.access","openAccess"],["dc.title","Pressure Dependent Product Formation in the Photochemically Initiated Allyl plus Allyl Reaction"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1247"],["dc.bibliographiccitation.journal","Proceedings of the Combustion Institute"],["dc.bibliographiccitation.lastpage","1255"],["dc.bibliographiccitation.volume","29"],["dc.contributor.author","Hack, W."],["dc.contributor.author","Hoyermann, Karlheinz"],["dc.contributor.author","Olzmann, M."],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T10:33:42Z"],["dc.date.available","2018-11-07T10:33:42Z"],["dc.date.issued","2002"],["dc.description.abstract","The mechanisms and rates of the reactions of the primary alkyl radicals ethyl and I-propyl with oxygen atoms at room temperature and low pressure (around 5 mbar) have been studied using two independent experimental arrangements. The reactants were generated by UV-laser flash photolysis with different precursors (C2H5COC2H5, C2H6 + CFCl3, C2H5I, C3H7COC3H7, SO2). Stable species concentrations were measured quantitatively by Fourier transform IR and OH radical concentrations of the ground (V = 0) and first vibrational (v = 1) state by time-resolved laser-induced fluorescence. For both reaction 1 and reaction 2, the mechanism is explained in terms of the formation and subsequent decomposition of a chemically activated alkoxy radical and a competing abstraction channel leading directly to OH and the alkene: C2H5 + O --> C2H5O (reaction 1a)/C2H5O --> HCHO + CH3 (reaction 1a(1))/CH3CHO + H (reaction 1a(2))//C2H5 + O --> C2H4 + OH (reaction 1b). The absolute branching ratio was determined preferentially using diethyl ketone as the C2H5 radical source leading to (1a(1))/(1a(2))/(1b), 32/44/24. Relative branching ratios for the C2H5 radical sources C2H6 + Cl and C2H5I were derived as (1a(1))/(1a(2)) = 1/1.5 and 1/1.55, respectively. The overall rate coefficient of the reaction C2H5 + O was measured as k(1) = (1.04 +/- 0.1) X 10(14) cm(3) mol(-1) s(-1) and in addition k(C2H5 + OH) = (7.0 +/- 1) X 10(13) cm(3) mol(-1) s(-1). The mechanism and the rate of reaction 2 were found as 1-C3H7 + O --> 1-C3H7O (reaction 2a)/I-C3H7O --> HCHO + C2H5 (reaction 2a(1))/C2H5CHO + H (reaction 2a(2))//1-C3H7 + O --> C3H6 + OH (reaction 2b) (branching ratio (2a(1))/(2a(2))/(2b), 44/ 32/ 24) and k(2) = (8.2 +/- 1) X 10(13) cm(3) mol(-1) s(-1). The results are discussed in terms of statistical rate theory."],["dc.identifier.doi","10.1016/S1540-7489(02)80154-7"],["dc.identifier.isi","000182866100150"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/44674"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Combustion Inst"],["dc.publisher.place","Pittsburgh"],["dc.relation.conference","29th International Combustion Symposium"],["dc.relation.eventlocation","HOKKAIDO UNIV, SAPPORO, JAPAN"],["dc.relation.issn","0082-0784"],["dc.title","Mechanisms and rates of the reactions C2H5+O and 1-C3H7+O"],["dc.type","conference_paper"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","18128"],["dc.bibliographiccitation.issue","28"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","18146"],["dc.bibliographiccitation.volume","19"],["dc.contributor.author","Hoyermann, Karlheinz"],["dc.contributor.author","Mauß, Fabian"],["dc.contributor.author","Olzmann, Matthias"],["dc.contributor.author","Welz, Oliver"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2020-12-10T18:11:15Z"],["dc.date.available","2020-12-10T18:11:15Z"],["dc.date.issued","2017"],["dc.identifier.doi","10.1039/C7CP02759A"],["dc.identifier.eissn","1463-9084"],["dc.identifier.issn","1463-9076"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/73938"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-354"],["dc.title","Exploring the chemical kinetics of partially oxidized intermediates by combining experiments, theory, and kinetic modeling"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","3824"],["dc.bibliographiccitation.issue","14"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","3835"],["dc.bibliographiccitation.volume","6"],["dc.contributor.author","Hoyermann, Karlheinz"],["dc.contributor.author","Mauss, Fabian"],["dc.contributor.author","Zeuch, Thomas"],["dc.date.accessioned","2018-11-07T10:47:12Z"],["dc.date.available","2018-11-07T10:47:12Z"],["dc.date.issued","2004"],["dc.description.abstract","On the basis of existing detailed kinetic schemes a general and consistent mechanism of the oxidation of hydrocarbons and the formation of higher hydrocarbons was compiled for computational studies covering the characteristic properties of a wide range of combustion processes. Computed ignition delay times of hydrocarbon -oxygen mixtures (CH4-, C2H6-, C3H8-, n-C4H10-, CH4 + C2H6-, C2H4, C3H6-O-2) match the experimental values. The calculated absolute flame velocities of laminar premixed flames (CH4-, C2H6-, C3H8-, n-C4H10-, C2H4-, C3H6-, and C2H2-air) and the dependence on mixture strength agree with the latest experimental investigations reported in the literature. With the same model concentration profiles for major and intermediate species in fuel-rich, non-sooting, premixed C2H2-, C3H6- air flames and a mixed C2H2/C3H6 (1:1)-air flame at 50 mbar are predicted in good agreement with experimental data. An analysis of reaction pathways shows for all three flames that benzene formation can be described by propargyl combination."],["dc.identifier.doi","10.1039/b404632c"],["dc.identifier.isi","000223472600006"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/47916"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9076"],["dc.title","A detailed chemical reaction mechanism for the oxidation of hydrocarbons and its application to the analysis of benzene formation in fuel-rich premixed laminar acetylene and propene flames"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]