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In this study, the impact of hydrogen concentration on deflagration to detonation transition (DDT) and detonation diffraction mechanisms was investigated. The combustion chamber was an ENACCEF facility, with nine obstacles at a blockage ratio of 0.63 and three mixtures with hydrogen concentrations of 13%, 20%, and 30%. Detonation diffraction mechanisms were numerically investigated by a density-based solver of OpenFOAM CFD toolbox named ddtFoam. In this simulation, for the low Mach numbers, the pddtFoam solver was applied, and for high speeds, the pddtFoam solver switched to the ddtFoam solver to simulate flame propagation without resolving all microscopic details in the flow in the CFD grid, and to provide a basis for simulating flame acceleration (FA) and the onset of detonation in large three-dimensional geometries. The results showed that, for the lean H2–air mixture with 13% hydrogen concentration, intense interaction between propagating flame and turbulent flow led to a rapid transition from slow to fast deflagration. However, the onset of detonation did not occur inside the tube. For the H2–air mixture with 20% hydrogen concentration, the detonation initiation appeared in the acceleration tube. It was also found that following the diffraction of detonation, the collision of transverse waves with the wall of the tube and the reflection of transverse waves were the most essential and effective parameters in the re-initiation of the detonation. For the H2–air mixture with 30% hydrogen concentration, the detonation initiation occurred while passing through the obstacles. Subsequently, at detonation diffraction, the direct initiation mechanism was observed.