Calculation of the anharmonic effect on the main reactions referring to ethylbenzene combustion mechanism

[1]  E. Chernikova,et al.  Styrene–acrylic acid copolymers as new stabilizers of dispersion RAFT polymerization of butyl acrylate , 2022, Mendeleev Communications.

[2]  Hui Xu,et al.  Functionalized Styrene Synthesis via Palladium-Catalyzed C−C Cleavage of Aryl Ketones , 2022, Tetrahedron Letters.

[3]  Xiaolin Zhu,et al.  Research on ethylbenzene dehydrogenation over the Fe-Al-based catalysts in a circulating fluidized-bed unit , 2021, Journal of the Taiwan Institute of Chemical Engineers.

[4]  Shiye Wang,et al.  Calculation of anharmonic effect on the reactions of small sulfur‐containing molecules with NO / NO 2 in combustion , 2021, Journal of the Chinese Chemical Society.

[5]  M. Rezakazemi,et al.  Numerical investigation of ethylbenzene dehydrogenation and nitrobenzene hydrogenation in a membrane reactor: Effect of operating conditions , 2021, International Journal of Hydrogen Energy.

[6]  Xiaolin Zhu,et al.  Ethylbenzene dehydrogenation over Fe2O3 promoted TiO2-ZrO2 catalysts and corresponding conceptual fluidized bed process , 2021 .

[7]  L. Yao,et al.  Calculation of the anharmonic effect on the main reactions referring to nitrous oxide in nitrogen-containing combustion mechanism , 2020 .

[8]  Diego Martinez Prata,et al.  Environ-economic analysis of conceptual intensification alternatives applied to the ethylbenzene production , 2020, Comput. Chem. Eng..

[9]  P. Vinothkumar,et al.  Synthesis, growth, structural, optical, electrical and magnetic properties of novel (E)-3-(4-(diethylamino) phenyl)-2-(thiophen-2-yl) acrylonitrile (DPTA) single crystal , 2019, Journal of Molecular Structure.

[10]  Xinxiang Pan,et al.  Theoretical studies of anharmonic effect on the main reactions involving in NO2 in fuel burning , 2018, Chemical Physics Letters.

[11]  Xinxiang Pan,et al.  Anharmonic effect of the rate constant of the reactions of CH3SCH2OO system in high-temperature combustion , 2017 .

[12]  P. Dagaut,et al.  A comprehensive experimental and kinetic modeling study of n-propylbenzene combustion , 2016 .

[13]  V. Barone,et al.  Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies. , 2010, Journal of chemical theory and computation.

[14]  Matthew A. Oehlschlaeger,et al.  The autoignition of C8H10 aromatics at moderate temperatures and elevated pressures , 2009 .

[15]  F. Battin‐Leclerc Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates , 2008 .

[16]  R. Hirsch Mitigation of maximum world oil production: Shortage scenarios , 2008 .

[17]  Y. Levendis,et al.  The effect of equivalence ratio on the soot onset chemistry in one-dimensional, atmospheric-pressure, premixed ethylbenzene flames , 2007 .

[18]  Y. Levendis,et al.  Emissions from the combustion of polystyrene, styrene and ethylbenzene under diverse conditions , 2007 .

[19]  A. Mebel,et al.  Anharmonic effect on unimolecular reactions with application to the photodissociation of ethylene. , 2007, The journal of physical chemistry. A.

[20]  Ali Ergut,et al.  PAH formation in one-dimensional premixed fuel-rich atmospheric pressure ethylbenzene and ethyl alcohol flames , 2006 .

[21]  George D. Byrne,et al.  The Numerical Solution of Some Kinetics Models with VODE and CHEMKIN II , 1993, Comput. Chem..

[22]  J. Stanton Application of miller's classical path approximation to the calculation of the shape of one-dimensional anharmonic probability distributions , 1986 .

[23]  S. Stein,et al.  Very‐low‐pressure pyrolysis of ethylbenzene, isopropylbenzene, and tert‐butylbenzene , 1981 .

[24]  L. Bartell Effects of anharmonicity of molecular vibrations on the diffraction of electrons: Part III. Predictive models , 1980 .

[25]  E. W. Schlag,et al.  Computation of Statistical Complexions as Applied to Unimolecular Reactions , 1962 .

[26]  I. C. Herb THE PRESENT STATUS OF ETHYLENE , 1933 .

[27]  R. Hanson,et al.  Shock tube measurements of OH concentration time-histories in benzene, toluene, ethylbenzene and xylene oxidation , 2019, Proceedings of the Combustion Institute.

[28]  William J. Pitz,et al.  An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures , 2014 .

[29]  B. Dlugogorski,et al.  Theoretical investigation into the low-temperature oxidation of ethylbenzene , 2013 .

[30]  Pierre-Alexandre Glaude,et al.  New experimental evidence and modeling study of the ethylbenzene oxidation , 2013 .

[31]  Jiuzhong Yang,et al.  Experimental and modeling investigation on premixed ethylbenzene flames at low pressure , 2011 .

[32]  Yuyang Li,et al.  An experimental study of the rich premixed ethylbenzene flame at low pressure , 2009 .

[33]  I. Glassman,et al.  The oxidation of ethylbenzene near 1060K , 1986 .