Numerical simulation of propane detonation in medium and large scale geometries

A modelling strategy has been developed for consequence analysis of medium and large scale gaseous detonation. The model is based on the solution of Euler equations with one-step chemistry. The Van Leer flux limited method which is a total variation diminishing scheme is used for shock capturing. Preliminary calculations were firstly conducted for small domains with fine grids which resolve the wave, relatively coarse grids which have less than 10 grids across the wave and coarse grids in which the minimum grid size is larger than the wave thickness to ensure that the reaction scheme has been properly tuned to capture the correct detonation pressure, temperature and velocity in the resolutions used in the different cases. The model was firstly tested against a medium scale detonation test in a shock tube with U-bends. Reasonably good agreement is achieved on detonation pressure and mean shock wave velocities at different measuring segments of the tube. Following the validation, the detonation of a hypothetical planar propane–air cloud is simulated. The predictions uncovered some interesting features of such large scale detonation phenomena which are of significance in the safety context, especially for accidental investigations. The findings from the present analysis are in line with the forensic evidence on damages in some historic accidents and challenges previous analysis of a major accident in which forensic evidence suggested localised detonation but was considered as the consequence of fire storms by the investigation team.

Research highlights
► A modelling strategy developed for consequence analysis of large scale detonation.
► The reaction is tuned to predict the correct CJ parameters and energy production.
► Validation conducted against medium scale detonation tests in a U-bend shock tube.
► Further simulations are done for a large scale planar propane air cloud detonation.
► The findings are in line with forensic evidence from some historic accidents.