Mechanism and Kinetics of Propane Pyrolysis

Abstract

The pyrolytic behavior of propane is followed between 600 and 800 °C with a view to elucidating the mechanism and kinetics. This is effected by continuous sampling of the pyrolytic products through an MS10-C2 mass spectrometer and the results are compared with computer predictions. Quantification of the products is done by resolving the superimposed mass spectra with the aid of a novel matrix-inversion program (written by the authors). The numerical integration program employed is based on the semiimplicit trapezoidal rule. A 19 reaction step model based on generation and interaction of free radicals is proposed with the appropriate rate constants and integrated. The main products are CH4, C2H4, C3H6, H2, and C2H6. The predictions fit well the experimental data giving an activation energy at 245 kj/mol and an overall reaction order of unity with respect to propane concentration.

High pressure pyrolysis of n-heptane

“…Numerous studies have been published on the pyrolysis of n-paraffins such as ethane, propane, n-butane, n-heptane, n-decane, n-hexadecane etc. at atmospheric pressure [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16]. The main thrust in these studies has been to enhance the yield of low molecular weight olefins.…”

The simultaneous solution and sensitivity analysis of systems described by ordinary differential equations

“…In an earlier study [17], this problem was used as the basis of comparison between the AIM (analytically integrated Magnus), GFM (Green's function method), DM (direct method), and FD (finite difference) methods. The second example is provided by an ethane pyrolysis mechanism [18], comprised of 7 species and 5 reactions. Earlier studies [9, 161 have applied the AIM, GFM, DM, FD, and DDM (decoupled direct method) methods to calculate sensitivity coefficients for this problem.…”

An overall and detailed kinetic study of the pyrolysis of propane

“…Unfortunately the data used to verify the above mechanisms were obtained from very low conversion pyrolysis experiments and covered a very narrow range of temperatures and pressures. Three additional mechanisms have appeared in the literature [13,21,22], but the specific rate constants used in these investigations are not representative of those reported elsewhere.…”