Initial stages of soot formation in thermal pyrolysis of acetylene. I. Mechanism for homogeneous pyrolysis of acetylene

Journal Article · Wed Mar 01 00:00:00 EST 1989 · Plasma Chemistry and Plasma Processing; (USA)

DOI:https://doi.org/10.1007/BF01015828· OSTI ID:7170334

Merkulov, A A; Ovsyannikov, A A; Polak, L S; Popov, V T; Pustilnikov, V Yu ^[1]

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1. Institute of Petrochemical Synthesis, Moscow (USSR)

A probable mechanism for the homogeneous pyrolysis of acetylene, using carbene reactions, is considered. Analysis of the energetics for the probable mechanism of the initiation reactions shows the rearrangement C{sub 2}H{sub 2} {yields}:CCH{sub 2} to be the most probable. Using the energetic barriers for simple carbene reactions and formation enthalpies for more complicated carbenes, the authors evaluated the activation energies for the reactions mechanism. The vibrational excitation of the products of carbene reactions is taken into account. Calculations of the acetylene conversion kinetics and yields of the main gas-phase pyrolysis products, based on the carbene molecular mechanism, show significantly better agreement with available experimental data as compared to those based on traditional radical mechanisms. The calculated time for the appearance of aromatic products is close to the measured induction times for the appearance of soot particles.

• OSTI ID: 7170334
• Journal Information: Plasma Chemistry and Plasma Processing; (USA), Vol. 9:1; ISSN 0272-4324
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ACETYLENE
PYROLYSIS
PYROLYSIS PRODUCTS
CHEMICAL REACTION YIELD
SOOT
ACTIVATION ENERGY
AROMATICS
CARBENES
CHEMICAL REACTION KINETICS
EXCITATION
FORMATION HEAT
MOLECULE-MOLECULE COLLISIONS
POLYACETYLENES
POLYMERIZATION
REACTION INTERMEDIATES
RELAXATION TIME
VIBRATIONAL STATES
ALKYNES
CHEMICAL REACTIONS
COLLISIONS
DECOMPOSITION
ENERGY
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
ENTHALPY
EXCITED STATES
HYDROCARBONS
KINETICS
MOLECULE COLLISIONS
ORGANIC COMPOUNDS
PHYSICAL PROPERTIES
POLYENES
RADICALS
REACTION HEAT
REACTION KINETICS
THERMOCHEMICAL PROCESSES
THERMODYNAMIC PROPERTIES
YIELDS
400800* - Combustion
Pyrolysis
& High-Temperature Chemistry