Paper published in the Proceedings of the Royal Society (A. 351, 33-53) 15th January 1976.

S F Bush with P Dyer

Thanks are due to the late Mr C A J Young, FRS, who communicated the paper.

Summary

Methods for the experimental and computational analysis of complex kinetics problems are described. Two examples which have been applied to industrial-scale design and operation are taken: high temperature chlorocarbon rearrangement and hydrocarbon cracking. Surface mechanisms are included within the treatment.

The experiments were based mainly on the continuous-flow uniform reaction cell which allowed precise control over physical conditions up to the temperature limit of interest, 1000 ^oC. The computational treatment is based on the development of a mathematical model system which permits a model structure to be varied at will, enabling radically different mechanisms to be rapidly examined. Using the methods, many thousands of computations have been carried out on a variety of systems of widely differing structures for the purposes of both research and design.

In Appendix A the model structure was used. In Appendix B the minimisation of the sum of squares by Gauss’s method was used.

See also the other items in this section Mathematics & Computation.

Paper published in the Proceedings of the Royal Society, volume 309, A. 1-26

S F Bush

Synopsis

Steady oscillations in the recorded gas temperature have been observed in a series of experiments in which the vapour-phase chlorination of methyl chloride was carried out. The instability was reproducible and persisted within a sharply defined range of reaction temperatures. A mathematical analysis of the dynamics of the reacting system is found to predict closely the nature and frequency of the oscillations and the range of experimental conditions within which they occur.