Microkinetics allows detailed modelling of chemical transformations occurring in many industrially relevant reactions. Traditional way of solving the microkinetics model for Fischer-Tropsch synthesis (FTS) becomes inefficient when it comes to more advanced real-time applications. In this work, we address these challenges by using physics-informed neural networks(PINNs) for modelling FTS microkinetics. We propose a computationally efficient and accurate method, enabling the ultra-fast solution of the existing microkinetics models in realistic process conditions. The proposed PINN model computes the fraction of vacant catalytic sites, a key quantity in FTS microkinetics, with median relative error (MRE) of 0.03%, and the FTS product formation rates with MRE of 0.1%. Compared to conventional equation solvers, the model achieves up to 1E+06 times speed-up when running on GPUs, thus being fast enough for multi-scale and multi-physics reactor modelling and enabling its applications in real-time process control and optimization.

The simulation of power system dynamics poses a computationally expensive task. Considering the growing uncertainty of generation and demand patterns, thousands of scenarios need to be continuously assessed to ensure the safety of power systems. Physics-Informed Neural Networks (PINNs) have recently emerged as a promising solution for drastically accelerating computations of non-linear dynamical systems. This work investigates the applicability of these methods for power system dynamics, focusing on the dynamic response to load disturbances. Comparing the prediction of PINNs to the solution of conventional solvers, we find that PINNs can be 10 to 1000 times faster than conventional solvers. At the same time, we find them to be sufficiently accurate and numerically stable even for large time steps. To facilitate a deeper understanding, this paper also present a new regularisation of Neural Network (NN) training by introducing a gradient-based term in the loss function. The resulting NNs, which we call dtNNs, help us deliver a comprehensive analysis about the strengths and weaknesses of the NN based approaches, how incorporating knowledge of the underlying physics affects NN performance, and how this compares with conventional solvers for power system dynamics.

Non-convex AC optimal power flow (AC-OPF) is a fundamental optimization problem in power system analysis. The computational complexity of conventional solvers is typically high and not suitable for large-scale networks in real-time operation. Hence, deep learning based approaches have gained intensive attention to conduct the time-consuming training process offline. Supervised learning methods may yield a feasible AC-OPF solution with a small optimality gap. However, they often need conventional solvers to generate the training dataset. This paper proposes an end-to-end unsupervised learning based framework for AC-OPF. We develop a deep neural network to output a partial set of decision variables while the remaining variables are recovered by solving AC power flow equations. The fast decoupled power flow solver is adopted to further reduce the computational time. In addition, we propose using a modified augmented Lagrangian function as the training loss. The multipliers are adjusted dynamically based on the degree of constraint violation. Extensive numerical test results corroborate the advantages of our proposed approach over some existing methods.