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The spray characteristics of n-butane were analyzed numerically using KIVA-3V code and compared with those of diesel under the same boundary conditions. The transient behavior of hollow cone spray was calculated not only in a constant volume chamber under various ambient conditions, but also in a premixed compression ignition engine. The spray characteristics were evaluated in terms of spray tip penetration and droplet size distribution. Various atomization sub-models such as TAB, Wave breakup and Wave-KH (Kelvin-Helmholtz) model were implemented in the code and validated by comparison with experimental data. The results show that mixture formation for butane proceeds faster than diesel fuel primarily due to a higher evaporation rate caused by butane's higher diffusivity in air. Furthermore, in a premixed compression ignition engine, the mixture of butane becomes more homogeneous than diesel by the end of compression stroke.