The transferability of the kinetic model to starting molecules other than C 4 H 10 (i.e., different initial chemical compositions) was also tested, with results shown in fig. . We can summarize the results by noting that in general the "6 MD" KMC model is was able to correctly predict MD simulations results starting with CH 4 , C 2 H 6 , and C 8 H 18 on a wide range of temperature (2,900 K to 4,000 K). For simulations starting with C 4 H 10 the main bias is due to the number of carbon in the longest chain FIG. . Evolution of the count of the six species of interest (CH4, H2, C2H6, C4H10, and H:C ratio in the longest chain) with time at 4,000 K. The MD curves (black) are the average of two MD simulations. The KMC curves are the average of 20 KMC simulations run using the "6 MD" KMC model (orange) or a model trained on one of the MD simulations at 4,000 K ("4,000 K" KMC model, in green). The "6 model gives results close to the MD simulations and are as accurate as "4,000 K" KMC model. Thus, "6 MD" KMC model is able to correctly extrapolate the temperature to 400 K above the training range.