Production & Supply Chain
Advancing Electrochemical Modelling of PEM Electrolyzers through Robust Parameter Estimation with the Weighted Mean of Vectors Algorithm
Jul 2025
Publication
The electrochemical modelling of proton exchange membrane electrolyzers (PEMEZs) relies on the precise determination of several unknown parameters. Achieving this accuracy requires addressing a challenging optimization problem characterized by nonlinearity multimodality and multiple interdependent variables. Thus a novel approach for determining the unknown parameters of a detailed PEMEZ electrochemical model is proposed using the weighted mean of vectors algorithm (WMVA). An objective function based on mean square deviation (MSD) is proposed to quantify the difference between experimental and estimated voltages. Practical validation was carried out on three commercial PEMEZ stacks from different manufacturers (Giner Electrochemical Systems and HGenerators™). The first two stacks were tested under two distinct pressure-temperature settings yielding five V–J data sets in total for assessing the WMVA-based model. The results demonstrate that WMVA outperforms all optimizers achieving MSDs of 1.73366e−06 1.91934e−06 1.09306e−05 6.18248e−05 and 4.41586e−06 corresponding to improvements of approximately 88% 82.9% 82.4% 54.5% and 59.5% over the poorest-performing algorithm in each case respectively. Moreover comparative analyses statistical studies and convergence curves confirm the robustness and reliability of the proposed optimizer. Additionally the effects of temperature and hydrogen pressure variations on the electrical and physical steady-state performance of the PEMEZ are carefully investigated. The findings are further reinforced by a dynamic simulation that illustrates the impact of temperature and supplied current on hydrogen production. Accordingly the article facilitates better PEMEZ modelling and optimizing hydrogen production performance across various operating conditions.
An Integrated AI-driven Framework for Maximizing the Efficiency of Heterostructured Nanomaterials in Photocatalytic Hydrogen Production
Jul 2025
Publication
The urgency for sustainable and efficient hydrogen production has increased interest in heterostructured nanomaterials known for their excellent photocatalytic properties. Traditional synthesis methods often rely on trial-and-error resulting in inefficiencies in material discovery and optimization. This work presents a new AI-driven framework that overcomes these challenges by integrating advanced machine-learning techniques specific to heterostructured nanomaterials. Graph Neural Networks (GNNs) enable accurate representations of atomic structures predicting material properties like bandgap energy and photocatalytic efficiency within ±0.05 eV. Reinforcement Learning optimises synthesis parameters reducing experimental iterations by 40% and boosting hydrogen yield by 15–20%. Physics-Informed Neural Networks (PINNs) successfully predict reaction pathways and intermediate states minimizing synthesis errors by 25%. Variational Autoencoders (VAEs) generate novel material configurations improving photocatalytic efficiency by up to 15%. Additionally Bayesian Optimisation enhances predictive accuracy by 30% through efficient hyperparameter tuning. This holistic framework integrates material design synthesis optimization and experimental validation fostering a synergistic data flow. Ultimately it accelerates the discovery of novel heterostructured nanomaterials enhancing efficiency scalability and yield thus moving closer to sustainable hydrogen production with improvements in photolytic efficiency setting a benchmark for AI-assisted research.
Hydrogen Production Intensification by Energy Demand Management in High-Temperature Electrolysis
Aug 2025
Publication
Solid oxide electrolysers (SOEs) can decarbonise H2 supply when powered by renewable electricity but remain constrained by high electrical demand and integration penalties. Our objective is to minimise the electrical (Pel) and thermal (Qth) energy demand per mole of H2 by jointly tuning cell temperature steam fraction steam utilisation pressure and current density. Compared with prior single-variable or thermo-neutral-constrained studies we develop and validate a steady-state process-level optimisation framework that couples an Aspen Plus SOE model with electrochemical post-processing and heat caused by ohmic resistance recovery. A Box–Behnken design explores five key operating parameters to capture synergies and trade-offs between Qth and Pel energy inputs. Single-objective optimisation yields Pel = 170.1 kJ mol⁻¹ H2 a 41.4% reduction versus literature baselines. Multi-objective optimisation using an equal-weighted composite desirability function aggregating thermal and electrical demands further reduces Pel by 21.2% while balancing thermal input 4–8% lower than single-objective baselines at moderate temperature (~781 °C) and pressure (~17.5 bar). Findings demonstrate a clear process intensification advantage over previous studies by simultaneously leveraging operating parameter synergies and heat-integration. However results are bounded by steady-state perfectly mixed isothermal assumptions. The identified operating windows are mechanistically grounded targets that warrant stack-scale and plantlevel validation.
Degradation Mechanisms of a Proton Exchange Membrane Water Electrolyzer Stack Operating at High Current Densities
Sep 2025
Publication
On the path to an emission free energy economy proton exchange membrane water electrolysis (PEMWE) is a promising technology for a sustainable production of green hydrogen at high current densities and thus high production rates. Long lifetime increasing the current density and the reduction of platinum group metal loadings are major challenges for a widespread implementation of PEMWE. In this context this work investigates the aging of a PEMWE stack operating at 4 A cm-2 which is twice the nominal current density of commercial electrolyzers. Specifically an 8-cells PEMWE stack using catalyst coated membranes (CCMs) with different platinum group metal (PGM) loading was operated for 2200 h. To understand degradation phenomena physical ex-situ analyses such as scanning electron microscopy (SEM) atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS) were carried out. The same aging mechanism were observed in all cells independent on their position in stack or the specific PGM loading of the membrane electrode assembly (CCM): (i) a decrease of ohmic resistance over time related to membrane thinning (ii) a significant loss of ionomer at anodes (iii) loss of noble metal from the electrodes leading to deposition of small Ir and Pt concentrations in the membrane (iv) heterogeneous enrichment of Ti on the cathode side likely originating from the cathode-side of the Ti bipolar plates (BPPs). These results are in good agreement with the electrochemical performance loss. Thus we were able to identify the degradation phenomena that dominate under high-current operation and their impact on performance.
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