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This study presents an improved comprehensive atomization model for a pressure swirl atomizer. The model integrates internal flow predictions, linear instability analysis of a swirling annular liquid sheet, primary atomization sub-model, and droplet velocity sub-model. Measurement data combined with the inviscid theory model predict the internal flow, providing liquid sheet velocity and thickness at the atomizer outlet. The dispersion relation of surface disturbances is obtained through linear instability analysis. A primary breakup predictive model for particle size distribution is constructed based on the wavelength and growth rate within the full unstable wavenumber range of the dispersion relation. Assuming uniform circumferential distribution and a normal distribution of spray angles, the droplet velocity is assigned according to the liquid sheet velocity. The model is implemented into Eulerian–Lagrangian simulations as initial conditions for discrete phase droplets to simulate the spray field. Results show the model can accurately predict the Sauter mean diameter with an error of less than 6% and effectively predicts the spray structure and spray cone angle. The dependency of the model on its parameters is also studied, determining that the values of the ligament constant and dispersion angle have an obvious impact on the prediction of Sauter mean diameter and spray structure.