The high temperature pyrolysis of acetylene 1400° to 2500° K

Aten, Carl F.; Greene, E. F.

doi:10.1016/0010-2180(61)90073-6

Cited by 25 publications

(11 citation statements)

References 9 publications

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“…While a minimum temperature of 1000 K was needed for a sufficiently fast decomposition of HN3, at temperatures over 1500 K (benzene, 1,3-butadiene) [3, 41, rsp. I700 K (acetylene) [5] the pyrolysis of the hydrocarbons had to be considered. Reactive products may be formed by pyrolysis which can react rapidly with NH(X3C -).…”

Section: Methodsmentioning

confidence: 99%

A Kinetic Study About the Reactions of NH(X³Σ⁻) with Hydrocarbons Part 3: Benzene, 1,3‐Butadiene and Acetylene

Röhrig¹,

Römming²,

Wagner³

1995

Ber Bunsenges Phys Chem

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The reactions of NH in its electronic ground state with benzene (1), 1,3‐butadiene (2) and acetylene (3) were investigated behind incident shock waves using narrow line width absorption detection of NH(X3Σ). The experiments were performed with very low initial concentrations of HN3 which was used as NH(X3Σ−) source to reduce the influence of secondary reactions. Thus it became possible to measure kinetic data for the reactions of NH (X3Σ−) with these hydrocarbons directly. The following rate constants were obtained in the temperature range 1100 to 1500 K, resp. 1400 to 1700 K (acetylene): k1 = 10(14.2±0.3) exp (‐(76±8) kJ mol−1/RT) cm3/mol s k2 = 10(13.9±0.3) exp (‐(45±7) kJ mol−1/RT) cm3/mol s k3 = 10(14.7±0.3) exp (‐(59±9) kJ mol−1/RT) cm3/mol s

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Section: Methodsmentioning

confidence: 99%

A Kinetic Study About the Reactions of NH(X³Σ⁻) with Hydrocarbons Part 3: Benzene, 1,3‐Butadiene and Acetylene

Röhrig¹,

Römming²,

Wagner³

1995

Ber Bunsenges Phys Chem

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“…This result agrees with previous experimental observations at relatively low temperatures. [34][35][36][37]45,46 For C4 species, Fig. 5(d are also produced in C2 addition reactions, but with lower populations.…”

Section: Chemical Species and Their Evolutionmentioning

confidence: 99%

“…Several pioneering works showed that acetylene pyrolysis constitutes the first important reaction step toward the initial formation of vinylacetylene (C 4 H 4 ) and diacetylene or 1,3-butadiyne (C 4 H 2 ). [34][35][36][37] Successive reactions form PAHs and C black precursors. The increase in PAH sizes and the final C black formation can be explained by the so-called HACA mechanism.…”

Section: Introductionmentioning

confidence: 99%

Imaging the C black formation by acetylene pyrolysis with molecular reactive force field simulations

Zhang

et al. 2015

Phys. Chem. Chem. Phys.

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C black is a class of substantial materials with a long history of applications. However, apart from some descriptions of primary reactions, subsequent processes leading up to the final formation mechanism remain unclear. This mechanism is also crucial for understanding the formation of other carbonaceous materials. In this work, we visualize C black formation by acetylene pyrolysis using molecular dynamics simulations with a molecular reactive force field named ReaxFF. We find that the formation undergoes four stages: (1) chain elongation by H abstraction and polymerization of small C species, (2) chain branching, (3) cyclization and ring densification, and (4) condensed ring folding. The simulated C black particle possesses a structure of folded graphite layers, which is in good accordance with experimental observations. Cyclization and condensation are derived from fusion between neighboring chains, significantly varying from common experimental observations at relatively low temperatures that abide by the mechanism of H abstraction and C2H2 addition. Moreover, polyyne and polyene are usually found during acetylene pyrolysis, suggesting that the pyrolysis of acetylene and other hydrocarbons may be a feasible method of obtaining carbyne, a novel carbonaceous material with a high value.

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“…Within the experimental uncertainty, we may conclude that the order is 2 for the reaction of acetylene to products. The second-order kinetics has been reported for low conversion of acetylene in early works [9,11,13,14,19]. More recent work by Duran et al [12], and Xu and Pacey [17] also support the second-order kinetics.…”

Section: Determination Of Kinetic Parametersmentioning

confidence: 60%

“…The first known experiment on acetylene pyrolysis was performed by Berthelot in 1866. Various reactors have been used to study the reaction: static reactors [8][9][10][11][12], flow reactors, [13][14][15][16][17][18], and shock tubes [19][20][21][22][23][24][25][26].…”

Section: Introductionmentioning

confidence: 99%

Acetylene Pyrolysis in Tubular Reactor

Rokstad

Lindvaag

Holmén

2013

Int. J. Chem. Kinet.

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Pyrolysis of acetylene was investigated in a tubular reactor of graphite with an internal lining of alumina. The temperature range was 850-1650 • C, and the pressure was about 0.133 bar (100 Torr). Pure acetylene and acetylene diluted with argon or hydrogen were used as feed. Carbon and hydrogen are the main products from acetylene pyrolysis particularly at higher conversion. At lower conversion of acetylene, other gas products were formed; the amount of these depended on temperature, dilution, and conversion. Benzene and vinyl acetylene are the main gas products from pyrolysis of pure acetylene below 1000 • C and at low conversion. Diacetylene increases with increasing temperature. Dilution with hydrogen changes the composition of the gas product, decreases the selectivity of vinyl acetylene and benzene, and increases the formation of methane and ethylene. Gas-phase equilibrium may be approached between some components. The conversion of acetylene with argon dilution and low conversion was found to be of second order. Pyrolysis of pure acetylene at lower temperature and low conversion gave the rate constant k = 3.1 × 10 9 · exp(−34.8/RT) L mol −1 s −1 with an activation energy of 34.8 kcal mol −1 . The initial reaction at 864 • C is a molecular formation of vinyl acetylene. The initial activation of acetylene in gas phase seems to be rate determining and of second order in acetylene. Decomposition of acetylene can take place both homogeneously and heterogeneously. Above a critical partial pressure of acetylene, the decomposition is apparently explosive with instant plugging of the reactor with carbon. C

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The high temperature pyrolysis of acetylene 1400° to 2500° K

Cited by 25 publications

References 9 publications

A Kinetic Study About the Reactions of NH(X³Σ⁻) with Hydrocarbons Part 3: Benzene, 1,3‐Butadiene and Acetylene

A Kinetic Study About the Reactions of NH(X³Σ⁻) with Hydrocarbons Part 3: Benzene, 1,3‐Butadiene and Acetylene

Imaging the C black formation by acetylene pyrolysis with molecular reactive force field simulations

Acetylene Pyrolysis in Tubular Reactor

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The high temperature pyrolysis of acetylene 1400° to 2500° K

Cited by 25 publications

References 9 publications

A Kinetic Study About the Reactions of NH(X3Σ−) with Hydrocarbons Part 3: Benzene, 1,3‐Butadiene and Acetylene

A Kinetic Study About the Reactions of NH(X3Σ−) with Hydrocarbons Part 3: Benzene, 1,3‐Butadiene and Acetylene

Imaging the C black formation by acetylene pyrolysis with molecular reactive force field simulations

Acetylene Pyrolysis in Tubular Reactor

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A Kinetic Study About the Reactions of NH(X³Σ⁻) with Hydrocarbons Part 3: Benzene, 1,3‐Butadiene and Acetylene

A Kinetic Study About the Reactions of NH(X³Σ⁻) with Hydrocarbons Part 3: Benzene, 1,3‐Butadiene and Acetylene