Molecular dynamics simulation of shape and structure evolution of preassembled cylindrical cetyltrimethylammonium bromide micelles induced by octanol

•The evolution of CTAB aggregates was simulated.•At low r=C8OH/CTAB≤1/3, the cylindrical CTAB micelles were unstable.•At r≥2/3, the rod-like and disc-like micelles with a bilayer structure coexist.•Octanol can modify the arrangement of CTAB in aggregates.