Fig. 5: Energy and kinetic trends obtained from the C6O1 reaction network for the Fischer–Tropsch synthesis.
From: An end-to-end framework for reactivity in heterogeneous catalysis

a, Mean reaction energy ΔE obtained using GAME-Net-UQ for the surface reactions grouped by the bond-forming type and metal surface. Error bars correspond to the 95% confidence interval. nC−C = 164,602, nC−H = 143,445, nC−O = 49,177. b, Steady-state formation rates obtained from the kinetic simulations on the C6O1 CRNs containing linear products on Co, Fe, Ni and Ru. c, Associated Anderson–Schulz–Flory distribution of the predicted products (Wn, mass formation rate of Cn species). Operating conditions: T = 523.15 K, P = 10 bar, H2/CO = 2.