Radical mechanism for the gas-phase thermal decomposition of propane

O. A. Stadnichenko; L. F. Nurislamova; N. S. Masyuk; V. N. Snytnikov; V. N. Snytnikov

doi:10.1007/s11144-017-1299-3

Radical mechanism for the gas-phase thermal decomposition of propane

O. A. Stadnichenko, L. F. Nurislamova, N. S. Masyuk, V. N. Snytnikov, V. N. Snytnikov

Energy-Saving Catalytic Processes Laboratory

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

The primary objective of this study is to develop a compact kinetic mechanism that could quantitatively characterize propane conversion and production of the major products during propane pyrolysis. This scheme is suggested for complex CFD modeling at temperature range from 500 to 700 °C and atmospheric pressure. These predictions are important for a large-scale transition from laboratory to demonstration units. The compact chemical kinetic scheme consisting of 17 species and 18 elementary steps was built on the basis of the classical theory of cycle radical chain reactions in which propane pyrolysis products are formed. The predictions fit well the experimental data obtained for a tubular plug flow reactor at constant total pressure.

Original language	English
Pages (from-to)	607-624
Number of pages	18
Journal	Reaction Kinetics, Mechanisms and Catalysis
Volume	123
Issue number	2
DOIs	https://doi.org/10.1007/s11144-017-1299-3
Publication status	Published - 1 Apr 2018

Keywords

Inverse problem of chemical kinetics
Kinetic mechanism
Low-temperature propane pyrolysis
Radical-chain mechanism
OXIDATION
MODEL
COMBUSTION CHEMISTRY
CRACKING KINETICS
ETHANE PYROLYSIS
DEHYDROGENATION
REDUCTION
OLEFINS
PARAFFINS
KINETIC DATA-BASE

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title = "Radical mechanism for the gas-phase thermal decomposition of propane",

abstract = "The primary objective of this study is to develop a compact kinetic mechanism that could quantitatively characterize propane conversion and production of the major products during propane pyrolysis. This scheme is suggested for complex CFD modeling at temperature range from 500 to 700 °C and atmospheric pressure. These predictions are important for a large-scale transition from laboratory to demonstration units. The compact chemical kinetic scheme consisting of 17 species and 18 elementary steps was built on the basis of the classical theory of cycle radical chain reactions in which propane pyrolysis products are formed. The predictions fit well the experimental data obtained for a tubular plug flow reactor at constant total pressure.",

keywords = "Inverse problem of chemical kinetics, Kinetic mechanism, Low-temperature propane pyrolysis, Radical-chain mechanism, OXIDATION, MODEL, COMBUSTION CHEMISTRY, CRACKING KINETICS, ETHANE PYROLYSIS, DEHYDROGENATION, REDUCTION, OLEFINS, PARAFFINS, KINETIC DATA-BASE",

author = "Stadnichenko, {O. A.} and Nurislamova, {L. F.} and Masyuk, {N. S.} and Snytnikov, {V. N.} and Snytnikov, {V. N.}",

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doi = "10.1007/s11144-017-1299-3",

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T1 - Radical mechanism for the gas-phase thermal decomposition of propane

AU - Stadnichenko, O. A.

AU - Nurislamova, L. F.

AU - Masyuk, N. S.

AU - Snytnikov, V. N.

PY - 2018/4/1

Y1 - 2018/4/1

N2 - The primary objective of this study is to develop a compact kinetic mechanism that could quantitatively characterize propane conversion and production of the major products during propane pyrolysis. This scheme is suggested for complex CFD modeling at temperature range from 500 to 700 °C and atmospheric pressure. These predictions are important for a large-scale transition from laboratory to demonstration units. The compact chemical kinetic scheme consisting of 17 species and 18 elementary steps was built on the basis of the classical theory of cycle radical chain reactions in which propane pyrolysis products are formed. The predictions fit well the experimental data obtained for a tubular plug flow reactor at constant total pressure.

AB - The primary objective of this study is to develop a compact kinetic mechanism that could quantitatively characterize propane conversion and production of the major products during propane pyrolysis. This scheme is suggested for complex CFD modeling at temperature range from 500 to 700 °C and atmospheric pressure. These predictions are important for a large-scale transition from laboratory to demonstration units. The compact chemical kinetic scheme consisting of 17 species and 18 elementary steps was built on the basis of the classical theory of cycle radical chain reactions in which propane pyrolysis products are formed. The predictions fit well the experimental data obtained for a tubular plug flow reactor at constant total pressure.

KW - Inverse problem of chemical kinetics

KW - Kinetic mechanism

KW - Low-temperature propane pyrolysis

KW - Radical-chain mechanism

KW - OXIDATION

KW - MODEL

KW - COMBUSTION CHEMISTRY

KW - CRACKING KINETICS

KW - ETHANE PYROLYSIS

KW - DEHYDROGENATION

KW - REDUCTION

KW - OLEFINS

KW - PARAFFINS

KW - KINETIC DATA-BASE

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U2 - 10.1007/s11144-017-1299-3

DO - 10.1007/s11144-017-1299-3

M3 - Article

AN - SCOPUS:85032699945

VL - 123

SP - 607

EP - 624

JO - Reaction Kinetics, Mechanisms and Catalysis

JF - Reaction Kinetics, Mechanisms and Catalysis

SN - 1878-5190

IS - 2

ER -

Radical mechanism for the gas-phase thermal decomposition of propane

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Keywords

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