Self-defined scalar method is developed to simulate the combustion process and soot yield of propane/air laminar diffusion flame by defining reaction components and intermediates as self-defined scalars in computational fluid dynamics (CFD) code Fluent. In the simulation, Casimirs propane combustion mechanisms are adapted for detailed chemical reaction mechanisms of the combustion process, and 1st order reaction of soot formation by surface growth is used. The 1st order rate coefficient of the surface growth is obtained by using the Sunderland and Faeth method with experimental data on acetylene concentration, soot yield and particle size. Comparisons are made on acetylene profile and soot yield between simulated and experimental results.