Direct measurements of rate coefficients for thermal decomposition of CF<sub>3</sub>I using shock—tube ARAS technique

Bystrov, N. S.; Emelianov, A. V.; Еремин, А. В.; Yatsenko, P. I.

doi:10.1088/1361-6463/aab8e5

Cited by 12 publications

(26 citation statements)

References 21 publications

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“…Скорость натекания в ударную трубу составляла 8•10 -7 мбар/мин. Более подробное описание установки приведено в [32][33][34][35]. Используемые газы тщательно перемешивались в специальном баллоне из нержавеющей стали, который можно было нагревать для уменьшения дегазации со стенок и откачивать с помощью турбомолекулярного насоса.…”

Section: экспериментunclassified

Experimental study of reaction of n-butanol with oxygen behind shock waves using ARAS method

Bystrov¹,

Emelianov²,

Еремин³

et al. 2019

PhChGD

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This paper presents new data on the time profiles of the concentration of atomic oxygen obtained during high-temperature oxidation of n-butanol behind reflected shock waves in the temperature range of 1600-2600 K at pressures of 2-3 bar. The kinetics of the reaction of n-C 4H9OH with atomic oxygen has been studied. As a source of oxygen atoms, a small amount of nitrous oxide N2O was added to the mixture. Quantitative measurements of the concentration profiles of oxygen atoms were carried out using atomic resonance absorption spectroscopy (ARAS) on the resonance line of the O atom (λ = 130.5 nm). Kinetic analysis of the obtained data was carried out using the Chemkin package. The experimental results obtained are compared with actual kinetic combustion schemes of n-butanol. It is shown that the kinetic schemes of n-butanol combustion available in the literature in some cases do not exactly agree with the experimental results. An analysis of possible additions to the existing kinetic schemes was carried out. As a result, it was suggested possible improvement to the existing kinetic schemes for the combustion of n-butanol at high temperatures.

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Section: экспериментunclassified

Experimental study of reaction of n-butanol with oxygen behind shock waves using ARAS method

Bystrov¹,

Emelianov²,

Еремин³

et al. 2019

PhChGD

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“…No further purification was carried out. The experimental setup is described in more detail elsewhere . Iodine atom concentration–time profiles were measured in the vacuum ultraviolet (VUV) range of the spectrum at a wavelength 183.04 nm, which corresponds to the transition I ( 4 P 5/2 – 2 P 3/2 ) .…”

Section: Experimental Installationmentioning

confidence: 99%

“…This work is a continuation of a number of works on the study of the kinetics of dissociation of various halocarbons using the precision method of atomic or molecular resonance absorption spectrometry. Scientific interest in these substances is high due to the broad range of their technical and industrial applications.…”

Section: Introductionmentioning

confidence: 99%

“…A theoretical calculation of the CF 3 I dissociation rate constant by the Rice–Ramsperger–Kassel–Marcus theory (RRKM) was also carried out in this work under the corresponding experimental conditions. In our recent work, direct ARAS measurements of the dissociation rate constant of this molecule on the resonance line of atomic iodine at 183.04 nm were carried out. This paper contains a detailed analysis of all previously published data and summarizes the results obtained.…”

Section: Introductionmentioning

confidence: 99%

“…In our recent work, direct ARAS measurements of the dissociation rate constant of this molecule on the resonance line of atomic iodine at 183.04 nm were carried out. This paper contains a detailed analysis of all previously published data and summarizes the results obtained.…”

Section: Introductionmentioning

confidence: 99%

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Direct measurements of C₃F₇I dissociation rate constants using a shock tube ARAS technique

Bystrov

Emelianov

Еремин

et al. 2018

Int J of Chemical Kinetics

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This work presents the first direct experimental study on the thermal unimolecular decomposition of n-C 3 F 7 I. Experiments were performed behind incident and reflected shock waves using the atomic resonance absorption spectroscopy (ARAS) technique on a resonant line of atomic iodine at 183.04 nm. The reaction C 3 F 7 I + Ar → C 3 F 7 + I + Ar (1) was studied at specific temperature (800-1200 K) and pressure (0.6-8.3 bar) ranges. Under experimental conditions, the obtained values of the rate constant at temperatures below 950 K are close to the high-pressure limit; however, considering theoretical calculations, the influence of pressure on the rate constant at elevated temperatures remains noticeable. The resulting value of the experimental rate constant of reaction 1 is presented in the following Arrhenius form: 1st (±30%) = 1.05 × 10 14 exp(−200.4 kJ ⋅ mol −1 ∕ ) (s −1 ) Experimental data were found to correlate with the results of the Rice-Ramsperger-Kassel-Marcus -master equation analysis based on quantum-chemical calculations.The following low-and high-pressure limiting rate coefficients were obtained over the temperature range T = 300-3000 K: 0 ( −C 3 F 7 I + Ar ) = 8.849 × 10 19 −1.444 exp (−11, 454.4∕ ) (cm 3 mol −1 s −1 ) and ∞ ( −C 3 F 7 I ) = 9.676 × 10 16 −0.378 exp (−26, 956.8∕ ) (s −1 )with the center broadening factor F c = 0.119. K E Y W O R D Satomic resonance absorption spectroscopy, chemical kinetics, density functional theory, dissociation rate constant, perfluoropropyl iodide, Rice-Ramsperger-Kassel-Marcus/master equation, shock tube 206

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Practical Aspects of Thermal Dissociation and Recombination Reactions: The Reaction Systems CF₃X(+M)↔CF₃+X (+M) with X=F, Cl, Br, and I

Cobos

Tellbach

Sölter

et al. 2023

Israel Journal of Chemistry

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The thermal dissociation/recombination reactions of the perfluoromethyl halides CF4↔CF3+F, CF3Cl↔CF3+Cl, CF3Br↔CF3+Br, and CF3I↔CF3+I are analyzed with respect to their transition (for increasing pressures) from second‐order to first‐order dissociation (or from third‐order to second‐order recombination). The dependence of this transition on the temperature is documented. Practical aspects of the modelling of falloff curves are discussed.

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Direct measurements of rate coefficients for thermal decomposition of CF₃I using shock—tube ARAS technique

Cited by 12 publications

References 21 publications

Experimental study of reaction of n-butanol with oxygen behind shock waves using ARAS method

Experimental study of reaction of n-butanol with oxygen behind shock waves using ARAS method

Direct measurements of C₃F₇I dissociation rate constants using a shock tube ARAS technique

Practical Aspects of Thermal Dissociation and Recombination Reactions: The Reaction Systems CF₃X(+M)↔CF₃+X (+M) with X=F, Cl, Br, and I

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Direct measurements of rate coefficients for thermal decomposition of CF3I using shock—tube ARAS technique

Cited by 12 publications

References 21 publications

Experimental study of reaction of n-butanol with oxygen behind shock waves using ARAS method

Experimental study of reaction of n-butanol with oxygen behind shock waves using ARAS method

Direct measurements of C3F7I dissociation rate constants using a shock tube ARAS technique

Practical Aspects of Thermal Dissociation and Recombination Reactions: The Reaction Systems CF3X(+M)↔CF3+X (+M) with X=F, Cl, Br, and I

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Direct measurements of rate coefficients for thermal decomposition of CF₃I using shock—tube ARAS technique

Direct measurements of C₃F₇I dissociation rate constants using a shock tube ARAS technique

Practical Aspects of Thermal Dissociation and Recombination Reactions: The Reaction Systems CF₃X(+M)↔CF₃+X (+M) with X=F, Cl, Br, and I