So far, no complete reaction mechanism has been proposed for high temperature chlorination and pyrolysis of methane. Various mechanisms for the description of this reaction pathway are combined and compared in this paper. This adaptation shows that the gas phase pyrolysis of methane and methyl chloride can be combined with surface reactions via nucleation from the gas phase or on the reactor wall to reproduce the product spectrum. In addition, kinetic parameters for a global simplified one-step mechanism focused on the formation of carbon are fitted to available experimental data.

Robust model predictive control algorithms are essential for addressing unavoidable errors due to the uncertainty in predicting real-world systems. However, the formulation of such algorithms typically results in a trade-off between conservatism and computational complexity. Monotone systems facilitate the efficient computation of reachable sets and thus the straightforward formulation of a robust model predictive control approach optimizing over open-loop predictions.We present an approach based on the division of reachable sets to incorporate feedback in the predictions, resulting in less conservative strategies. The concept of mixed-monotonicity enables an extension of our methodology to non-monotone systems. Lastly, we discuss the relation between widely used tube-based MPC approaches and our proposed methods. The potential of the proposed approaches is demonstrated through a nonlinear high-dimensional chemical tank reactor cascade case study.