In this paper, a three‐dimensional simulation model of the engine cylinder is established using commercial simulation software AVL‐Fire, and the accuracy of the model is verified with experimental results. The effects of diesel/biodiesel/n‐butanol blends on diesel engine performance, and combustion and emissions characteristics were investigated by performing simulation operations on the model. The combustion process in the cylinder was simulated for 0%, 5%, 10%, 15%, and 20% of n‐butanol in the fuel mixture. The results showed that at 75% load, the brake thermal efficiency of D95N5, D90N10, D85N15, and D80N20 engines increased by 0.84%, 1.68%, 2.48%, and 3.19%, respectively, and soot emissions decreased by 2.76%, 5.52%, 8.25%, and 10.96%, respectively, compared with D100. However, the brake power of the engine was reduced, the brake ratio fuel consumption increased, and NOx emission increased. In addition, at all loads, soot and CO emissions decrease as the percentage of n‐butanol in the fuel mixture increases.