Italy
Modeling and Experimental Approach of Membrane and Diaphragm Sono-electrolytic Production of Hydrogen
Oct 2025
Publication
This study evaluates the performance of three anion-exchange membranes (FAS-50 AMX Fujifilm-AEM) and a diaphragm separator (Zirfon® UTP 500) in alkaline water sono-electrolysis using a 25 % KOH electrolyte at ambient temperature. Energy efficiency hydrogen production kinetics and membrane stability were assessed experimentally and through modeling. Among the tested separators Zirfon achieved the highest energy efficiency outperforming AEM AMX and FAS-50. Hydrogen production rates under silent conditions ranged from 2.55 µg/s (AEM) to 2.92 µg/s (FAS-50) while sonication (40 kHz 60 W) increased rates by 0.03–0.12 µg/s with the strongest relative effect observed for FAS-50 (≈4.0 % increase). By contrast Zirfon and AEM showed slight efficiency reductions (0.5–2 %) under ultrasound due to their higher structural resistance. Ion-exchange capacity tests confirmed significant degradation of polymeric membranes (IEC losses of 60–90 %) while Zirfon maintained stability in 25 % KOH. Modeling results showed that the diaphragm resistance was dominated by the ohmic losses (55–86 %) with ultrasound reducing bubble coverage and associated resistance only marginally (<0.02 V). Overall Zirfon demonstrated superior stability and efficiency for long-term operation while ultrasound primarily enhanced hydrogen evolution kinetics in mechanically weaker polymeric membranes.
Catalysts for Unlocking H2 Production from NH3: A Process Design Perspective
Nov 2025
Publication
NH3 cracking is gaining attention as a promising route for on-demand carbon-free H2 production particularly in off-grid or distributed energy applications. Nevertheless its practical implementation hinges on the development of catalysts not only highly active but also cost-effective and thermally efficient. Starting from the state-of-theart catalyst for NH3 decomposition (nickel-based) the most promising catalytic systems (ruthenium-based) are critically reviewed with a focus on the interplay between catalyst activation energy thermal duty and operating conditions. In view of discussing whether the implementation of noble-based catalysts can be practical or not a technical analysis of the cracking furnace with different Ru-based catalytic systems is presented referring to a decentralized application representative of compact yet industrially relevant units. The trade-off between technical and economic performance is quantified with the aim of offering design guidelines for developing scalable NH3 cracking.
Decarbonised H2 Recovery and CO2 Capture Using a Cost-effective Membrane Plant: A Step Towards Energy Transition
Oct 2025
Publication
Separation of H2 from CO2 is crucial in industry since they are the products of water gas shift reaction. In addition the demand for pure H2 as well as the potential reuse of CO2 as reactant are increasing as a consequence of the transition from fossil fuels to decarbonization processes. In this scenario this work aims to propose a possible solution to get simultaneously pure H2 and CO2 meeting the world’s requirements in terms of reduction of CO2 emissions and transition to cleaner energy. A simulated plant combining Pd-based and SAPO-34 membrane modules is able to provide pure H2 with a final recovery higher than 97%. In addition the entire CO2 fed to SAPO-34 unit is recovered in the permeate stream with a concentration of 97.7%. A cost analysis shows that feed gas gives a higher contribution than compression heat exchange and membranes (e.g. 70 20 3 and 7% respectively). Net profit and net present value are positive within a specific feed gas price range (e.g. net profit up to 0.10 and 0.155 $/Nm3 depending on the labour cost set) showing that the process can be cost-effective and profitable. H2 purification cost ranges between 2.6 and 7.8 $/kg.
Hydrogen Strategies Under Uncertainty: Risk-Averse Choices for Green Hydrogen Pathways
Oct 2025
Publication
The last decade has been characterized by a growing environmental awareness and the rise of climate change concerns. Continuous advancement of renewable energy technologies in this context has taken a central stage on the global agenda leading to a diverse array of innovations ranging from cutting-edge green energy production technologies to advanced energy storage solutions. In this evolving context ensuring the sustainability of energy systems—through the reduction of carbon emissions enhancement of energy resilience and responsible resource integration—has become a primary objective of modern energy planning. The integration of hydrogen technologies for power-to-gas (P2G) and power-topower (P2P) and energy storage systems is one of the areas where the most remarkable progress is being made. However real case implementations are lagging behind expectations due to large-scale investments needed which under high energy price uncertainty act as a barrier to widespread adoption. This study proposes a risk-averse approach for sizing an Integrated Hybrid Energy System considering the uncertainty of electricity and gas prices. The problem is formulated as a mixed-integer program and tested on a real-world case study. The analysis sheds light on the value of synergies and innovative solutions that hold the promise of a cleaner more sustainable future for generations to come.
Application of Machine Learning and Data Augmentation Algorithms in the Discovery of Metal Hydrides for Hydrogen Storage
Nov 2025
Publication
The development of efficient and sustainable hydrogen storage materials is a key challenge for realizing hydrogen as a clean and flexible energy carrier. Among various options metal hydrides offer high volumetric storage density and operational safety yet their application is limited by thermodynamic kinetic and compositional constraints. In this work we investigate the potential of machine learning (ML) to predict key thermodynamic properties—equilibrium plateau pressure enthalpy and entropy of hydride formation—based solely on alloy composition using Magpie-generated descriptors. We significantly expand an existing experimental dataset from ~400 to 806 entries and assess the impact of dataset size and data augmentation using the PADRE algorithm on model performance. Models including Support Vector Machines and Gradient Boosted Random Forests were trained and optimized via grid search and cross-validation. Results show a marked improvement in predictive accuracy with increased dataset size while data augmentation benefits are limited to smaller datasets and do not improve accuracy in underrepresented pressure regimes. Furthermore clustering and cross-validation analyses highlight the limited generalizability of models across different material classes though high accuracy is achieved when training and testing within a single hydride family (e.g. AB2). The study demonstrates the viability and limitations of ML for accelerating hydride discovery emphasizing the importance of dataset diversity and representation for robust property prediction.
An Effective Integrated Optimal Day-ahead and Real-time Power Scheduling Approach for Hydrogen-based Microgrid
Oct 2025
Publication
The increasing penetration of renewable energy sources in power systems poses significant challenges for maintaining grid reliability mainly due to the variability and uncertainty of solar and demand profiles. Microgrids equipped with diverse storage technologies have emerged as a promising solution to address these issues.This paper proposes an integrated day-ahead and real-time power scheduling approach for grid-connected microgrids equipped with both conventional and hydrogen-based ESSs. While existing strategies often address day-ahead and real-time scheduling separately or rely on a single storage technology this work introduces a unified framework that exploits the complementary characteristics of batteries and hydrogen systems. The proposed approach is based on a novel two-stage stochastic optimization model embedded within a hierarchical optimization framework to address these two intertwined problems efficiently. For the day-ahead scheduling a two-stage stochastic programming energy management model is solved to optimize the microgrid schedule based on forecasted load demand and PV production profiles. Building upon the day-ahead schedule another optimization model is solved which addresses real-time power imbalances caused by deviations in actual PV production and load demand power profiles with respect to the forecasted ones with the aim of minimizing operational disruptions. Simulation results demonstrate the validity of the proposed approach achieving both cost reductions and minimal power imbalances. By dynamically adjusting energy flows and using both conventional batteries and hydrogen systems the proposed approach ensures improved reliability reduced operational costs and enhanced integration of RES in microgrids. These findings highlight the potential of the proposed hierarchical framework to support the large-scale deployment of RES while ensuring resilient and cost-effective microgrid operations.
Modelling a Small-scale Hydrogen Valley: Optimisation Under Techno-economic and Environmental Perspectives
Oct 2025
Publication
Renewable hydrogen is a promising pathway to decarbonise hard-to-electrify sectors though its widespread deployment remains hindered by economic challenges. Hydrogen valleys integrated regional systems have emerged as a strategic solution to scale up hydrogen infrastructure and demand. This study assesses the technoeconomic feasibility of a hydrogen valley in southeastern Crete based on the CRAVE-H2 project using a MixedInteger Linear Programming (MILP) optimisation model. The system serves multiple end-uses: touristic fuel cell buses and a vessel as well as cold ironing for ships at berth. In addition to renewable generators electricity can be supplied via a hybrid storage system or purchased from the grid with dispatch optimised according to hourly market prices. A customised modelling framework is developed within PyPSA using the Linopy extension enabling the inclusion of piecewise affine approximations of non-linear performance curves for electrolysers and fuel cells alongside operating range constraints. Hydrogen leakage is also explicitly modelled to assess its environmental and economic implications. The model delivers optimal component sizing energy dispatch strategies and key performance metrics including Levelised Cost Of Hydrogen (LCOH) aggregated Levelised Cost Of Energy (LCOE) and carbon intensity. Most scenarios yield competitive LCOH values between 5.36 and 8.21 €/kgH2 increasing to 15 €/kgH2 under full decarbonisation due to extensive storage investments. Hydrogen emissions that may exceed 10 % of total production in worst-case scenarios become more pronounced in fully decarbonised scenarios. These findings underline the importance of emissions tracking and provide practical insights to inform the design of cost-effective low-emission hydrogen valleys.
Modeling Electrochemical Impedance Spectroscopy of Hydrogen Complexes During Hydrogen Evolution on Single-stom Electrocatalysts
Nov 2025
Publication
Single Atom Catalysts (SACs) are an emerging frontier in heterogeneous electrocatalysis. They are made of metal atoms atomically dispersed on a matrix. A lot of attention has been dedicated to the study of Hydrogen Evolution Reaction (HER) mechanism due to its relevance in energy conversion technologies both with computational and experimental methods. The classical HER mechanism can be described by a Volmer–Heyrovsky–Tafel mechanism where the two desorption steps are competitive. The Volmer-Heyrovsky mechanism is conventionally proposed for single-atom catalysts. It has been computationally demonstrated that hydrogen complexes can form on SACs due to their analogy with homogeneous catalysts. Unfortunately it is hard to “visualize” these species experimentally. Electrochemical Impedance Spectroscopy (EIS) could be the most promising approach to study electrocatalytic mechanisms. In this work we present microkinetic and Electrochemical Impedance Spectroscopy models for HER on SACs describing Volmer-Heyrovsky and a mechanism mediated by the formation of hydrogen complexes. Our simulated data applied to a case study based on Pd@TiN show that Tafel plots will not suffice in the visualization of hydrogen complexes formation and will need the support of electrochemical impedance spectra in order to clarify the correct mechanism.
Decarbonising Sustainable Aviation Fuel (SAF) Pathways: Emerging Perspectives on Hydrogen Integration
Oct 2025
Publication
The growing demand for air connectivity coupled with the forecasted increase in passengers by 2040 implies an exigency in the aviation sector to adopt sustainable approaches for net zero emission by 2050. Sustainable Aviation Fuel (SAF) is currently the most promising short-term solution; however ensuring its overall sustainability depends on reducing the life cycle carbon footprints. A key challenge prevails in hydrogen usage as a reactant for the approved ASTM routes of SAF. The processing conversion and refinement of feed entailing hydrodeoxygenation (HDO) decarboxylation hydrogenation isomerisation and hydrocracking requires substantial hydrogen input. This hydrogen is sourced either in situ or ex situ with the supply chain encompassing renewables or non-renewables origins. Addressing this hydrogen usage and recognising the emission implications thereof has therefore become a novel research priority. Aside from the preferred adoption of renewable water electrolysis to generate hydrogen other promising pathways encompass hydrothermal gasification biomass gasification (with or without carbon capture) and biomethane with steam methane reforming (with or without carbon capture) owing to the lower greenhouse emissions the convincing status of the technology readiness level and the lower acidification potential. Equally imperative are measures for reducing hydrogen demand in SAF pathways. Strategies involve identifying the appropriate catalyst (monometallic and bimetallic sulphide catalyst) increasing the catalyst life in the deoxygenation process deploying low-cost iso-propanol (hydrogen donor) developing the aerobic fermentation of sugar to 14 dimethyl cyclooctane with the intermediate formation of isoprene and advancing aqueous phase reforming or single-stage hydro processing. Other supportive alternatives include implementing the catalytic and co-pyrolysis of waste oil with solid feedstocks and selecting highly saturated feedstock. Thus future progress demands coordinated innovation and research endeavours to bolster the seamless integration of the cutting-edge hydrogen production processes with the SAF infrastructure. Rigorous technoeconomic and life cycle assessments alongside technological breakthroughs and biomass characterisation are indispensable for ensuring scalability and sustainability
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