A simple model of rotational effects in thermal decomposition

Penner, Alvin

doi:10.1080/00268977800102421

Cited by 6 publications

(3 citation statements)

References 20 publications

(38 reference statements)

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“…( 3 ) is in effect two-dimensional, and further simplification is necessary in order to make the problem tractable. The development that follows makes use of an approximate solution given by Penner [5] for the harmonic quasidiatomic case. The simplifying assumptions are as follows:…”

Section: + Yy'mentioning

confidence: 99%

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Analytical solution of vibrational–rotational energy transfer in the dissociation and relaxation of N₂, Br₂, and CO at high temperature

Forst

1981

Int J of Chemical Kinetics

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An approximate analytical solution of relaxation in a low-pressure system with exponential transition probabilities is given for vibrational-rotational energy transfer in the dissociation of diatomics. The main assumption is that the rotational degrees of freedom are in thermal equilibrium at all times, and that the harrier to dissociation in the vibrational-rotational plane is linear and asymmetric. The theory is applied to high-temperature dissociations of Nz, Brz, and CO in excess argon, with satisfactory agreement with available experimental data.

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Section: + Yy'mentioning

confidence: 99%

“…This destroys the eigenvalue character of the original problem, and consequently only the steady-state rate constant k& can be obtained but no relaxation times. It can then be shown that the harmonic quasidiatomic rate constant is [5,6] we -EoIkT…”

Section: U ( X U Yu)qr(xr Yr)mentioning

confidence: 99%

Analytical solution of vibrational–rotational energy transfer in the dissociation and relaxation of N₂, Br₂, and CO at high temperature

Forst

1981

Int J of Chemical Kinetics

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“…(1 + kT/y)2 (10) From eq [5][6][7][8][9] it is possible to deduce the entire time history of the system, including the time-dependent properties prior to establishment of steady state. In the present context we shall need among these properties only the so-called number density incubation time í¡nc which measures the time delay in the onset of steady-state decay of the reactant.…”

Section: Theorymentioning

confidence: 99%

Analytic approximation to the solution of vibrational-rotational energy transfer in the dissociation and relaxation of hydrogen, deuterium, and oxygen

Forst¹

1980

J. Phys. Chem.

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The analytical solution of the general relaxation problem in a low-pressure system with exponential transition probabilities, as given previously for vibrational energy transfer on collision, is now extended to include rotational energy transfer. The approximation is made that the rotational degrees of freedom are equilibrated and that the barrier to dissociation is linear and asymmetric. The theory is used to calculate the rate constant for dissociation, the number density incubation time, and the vibrational relaxation time in the dissociation of H2, D2, and 02. Agreement with experiment and other more elaborate calculations is very satisfactory.

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Vibrational relaxation and collision‐induced dissociation of xenon fluoride by neon

Wilkins

1989

Int J of Chemical Kinetics

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Rate coefficients were calculated for vibrational relaxation and collision-induced dissociation of ground state xenon fluoride in neon a t temperatures between 300 and 1000 K for each of nine vibrational levels. These coefficients were calculated using a pairwise additive potential energy surface, which consists of a Morse function for the XeF interaction and Lennard-Jones functions for the NeXe and NeF interactions. Rate coefficients are provided for both temperature and u-dependences. The vibrational relaxation and dissociation processes occur by multiquanta transitions. Dissociation can take place from all u-Ievels provided that the internal energy of the XeF molecule is close to the rotationless dissociation limit. The order of increase effectiveness of the various forms of energy in promoting dissociation in XeF was found to be translationrotation-vibration. At room temperature, neon atoms were found to be more efficient than helium atoms in the dissociation processes; helium atoms were found to be more efficient than neon atoms in the vibrational relaxation of XeF. Strong vibration-rotation coupling in both vibrational relaxation and in the dissociation processes is demonstrated.

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A simple model of rotational effects in thermal decomposition

Cited by 6 publications

References 20 publications

Analytical solution of vibrational–rotational energy transfer in the dissociation and relaxation of N₂, Br₂, and CO at high temperature

Analytical solution of vibrational–rotational energy transfer in the dissociation and relaxation of N₂, Br₂, and CO at high temperature

Analytic approximation to the solution of vibrational-rotational energy transfer in the dissociation and relaxation of hydrogen, deuterium, and oxygen

Vibrational relaxation and collision‐induced dissociation of xenon fluoride by neon

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A simple model of rotational effects in thermal decomposition

Cited by 6 publications

References 20 publications

Analytical solution of vibrational–rotational energy transfer in the dissociation and relaxation of N2, Br2, and CO at high temperature

Analytical solution of vibrational–rotational energy transfer in the dissociation and relaxation of N2, Br2, and CO at high temperature

Analytic approximation to the solution of vibrational-rotational energy transfer in the dissociation and relaxation of hydrogen, deuterium, and oxygen

Vibrational relaxation and collision‐induced dissociation of xenon fluoride by neon

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Product

Resources

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Analytical solution of vibrational–rotational energy transfer in the dissociation and relaxation of N₂, Br₂, and CO at high temperature

Analytical solution of vibrational–rotational energy transfer in the dissociation and relaxation of N₂, Br₂, and CO at high temperature