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Kinetics of high-temperature reactions

 

Direction leaders

Eremin Alexander Viktorovich

Emelyanov Alexander Valentinovich

Study of the kinetics of monomolecular decomposition of simple and complex substances, their experimental and theoretical determination of rate constants

A detailed study of the kinetics of high-temperature oxidation of promising biofuels by atomic and molecular oxygen

Refinement of chemical kinetic schemes by identifying and developing new mechanisms of reactions through excited molecules

Verification of the chemical kinetic mechanisms of combustion in the high-temperature region by means of precision ARAS measurements

Kinetic modeling, computational quantum chemical methods (RRKM, TST)

The main results of the completed works of the direction

A method of atomic resonance absorption spectroscopy has been developed to study the kinetics of mono- and bi-molecular reactions in a wide range of temperatures and pressures.

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The kinetics of monomolecular decomposition of iodine inhibitors was studied experimentally and numerically.

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The kinetics of high-temperature oxidation of promising biofuels  (methane, butanol, dimethyl ether, ethanol, n-/iso-propanol) with molecular and atomic oxygen was studied.

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Non-equilibrium emission of carbon monoxide during high-temperature oxidation of biofuels was discovered and studied, a kinetic mechanism was proposed that allows taking into account excited CO molecules during combustion 

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Ways and methods for improving modern combustion mechanisms have been determined, recommendations have been developed to reduce the overall uncertainty of combustion kinetic schemes

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The kinetics of high-temperature oxidation of acetylene was studied

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​Key publications of the direction

  • ​G. Capriolo, N. Bystrov, A. Emelianov, A. Eremin, P. Yatsenko, A.A. Konnov. High-temperature oxidation of propanol isomers in the mixtures with N2O at high Ar dilution conditions. Fuel 287 (2021) 119499, https://doi.org/10.1016/j.fuel.2020.119499

  • Pelevkin A.V., Loukhovitski B.I., Sharipov A.S. Reaction of N atom with electronically excited O2 Revisited: A theoretical study. J. Phys. Chem. A 2021, 125, 8294−8312, https://doi.org/10.1021/acs.jpca.1c05733

  • Sharipov A.S., Loukhovitski B.I. Energy disposal into the vibrational degrees of freedom of bimolecular reaction products: Key factors and simple model. Chemical Physics 2021, 544, 111098, https://doi.org/10.1016/j.chemphys.2021.111098

  • N. Bystrov, A. Emelianov, A. Eremin, B. Loukhovitski, A. Sharipov, P. Yatsenko. Experimental study of high temperature oxidation of dimethyl ether, n-butanol and methane. Comb. Flame. 2020, V. 218, P. 121-133, https://doi.org/10.1016/j.combustflame.2020.04.003

  • Bystrov N, Emelianov A, Eremin A, Loukhovitski B, Sharipov A, Yatsenko P. Direct measurements of C3F7I dissociation rate constants using a shock tube ARAS technique. INT J CHEM KINET, 2019, 52, 3, 206-214, http://dx.doi.org/10.1002/kin.21244

  • Bystrov N.S., Emelianov A.V., Eremin A.V., Yatsenko P.I. Direct measurements of rate coefficients for thermal decomposition of CF3I using shock – tube ARAS technique. J PHYS D APPL PHYS, 2018, 51, 18, 184004, http://dx.doi.org/10.1088/1361-6463/aab8e5

  • Bystrov N.S., Emelianov A.V., Eremin A.V., Yatsenko P.I. ARAS monitoring of various halogen atoms formation in pyrolysis reactions behind shock waves. Journal of Physics: Conference Series, 2018, 946, 012069, http://dx.doi.org/10.1088/1742-6596/946/1/012069

  • Emelianov A.V., Eremin A.V., Yatsenko P.I. The study of C2F4Br2 dissociation kinetics using ARAS and MRAS methods behind shock waves. Journal of Physics: Conference Series, 2018, 946, 012070, http://dx.doi.org/10.1088/1742-6596/946/1/012070

 

  • Дракон А.В., Емельянов А.В., Еремин А.В., Яценко П.И. Исследование диссоциации трифторметана в широком диапазоне температур и давлений с использованием метода молекулярно-резонансной абсорбционной спектроскопии. ТВТ, 2017, 55, 2, 247-254 // Drakon, A.V., Emelianov, A.V., Eremin, A.V. et al. Study of trifluoromethane dissociation within wide pressure and temperature ranges by molecular resonance absorption spectroscopy. High Temp 55, 239–245 (2017), https://doi.org/10.1134/S0018151X17020043

  • Емельянов А.В., Еремин А.В., Яценко П.И. Экспериментальное исследование взаимодействия атомов хлора с ацетиленом за ударными волнами. ТВТ, 2017, 55, 5, 806–812 // Emelianov, A.V., Eremin, A.V. & Yatsenko, P.I. Experimental study of chlorine atom interaction with acetylene behind shock waves. High Temp 55, 788–794 (2017), https://doi.org/10.1134/S0018151X17050054