Efficiently solving large-scale optimal power flow (OPF) problems is challenging due to the high dimensionality and interconnectivity of modern power systems. Decomposition methods offer a promising solution via partitioning large problems into smaller subproblems that can be solved in parallel, often with local information. These approaches reduce computational burden and improve flexibility by allowing agents to manage their local models. This article introduces a decomposition method that enables a distributed solution to OPF problems. The proposed method solves OPF problems with a sensitivity-based formulation using the alternating direction method of multipliers (ADMM) algorithm. We also propose a distributed method to compute system-wide sensitivities without sharing local parameters. This approach facilitates scalable optimization while satisfying global constraints and limiting data sharing. We demonstrate the effectiveness of the proposed approach using a large set of test systems and compare its performance against existing decomposition methods. The results show that the proposed method significantly outperforms the typical phase-angle formulation with a 14-times faster computation speed on average.
The inefficient management of industrial waste threatens environmental sustainability, necessitating scalable resource recovery solutions. To address these challenges, we propose a novel and sustainable in situ one-step strategy for the simultaneous recovery and functionalization of lignin from industrial black liquor, using a sustainable organic acid system assisted by choline chloride. The functionalized lignin adsorbent material (FLAM) exhibited superior adsorption performance, effectively treating animal feedlot wastewater to recover ammonia. The ammonia enriched FLAM was subsequently repurposed as a slow-release fertilizer, enhancing plant growth and demonstrating a closed-loop pathway for waste valorization and nutrient recycling. Methylene blue was used as a model cationic compound to simulate the adsorption behavior and interactions. FLAM achieved a high adsorption capacity of 725.98 mg g-1 across a broad pH range, significantly outperforming commercial kraft lignin. This sustainable approach advances circular economy principles by integrating remediation and resource recovery, offering a scalable, eco-friendly solution for environmental applications.
The emergence of renewable deep eutectic solvents (DES) as clean and efficient catalysts and solvents has created new opportunities for lignocellulosic biorefineries and critical material sectors, including chemical, energy, pharmaceutical, textile, and hydrometallurgical industries. This review provides an in-depth overview of DES, covering their chemistry, classifications, preparation methods, processing characteristics, and recyclability, while highlighting their unique attributes and industry relevant applications. Emphasis is placed on the integration of DES into advanced biorefinery systems, focusing on their tunable physicochemical and thermodynamic properties for biomass pretreatment and the production of value-added products. The review explores how DES can be tuned for selective dissolution of biomass components and evaluates production and valorization of DES-derived biochemicals, with attention to lignin extraction mechanisms and conversion of biomass into bioproducts and biofuels. Beyond biorefineries, the scope extends to DES applications in electrochemical energy devices, where they serve as electrolytes, synthesis media for electrode materials, and leaching agents in battery recycling. The multifunctional roles of DES in pharmaceutical, hydrometallurgical, and textile sectors are also explored for contributions to sustainable processing. Finally, the review identifies future research directions, outlining benefits, challenges, and knowledge gaps, for continued industrial development.
Powder X-ray diffraction (XRD) is a foundational technique for characterizing crystalline materials. However, the reliable interpretation of XRD patterns, particularly in multiphase systems, remains a manual and expertise-demanding task. As a characterization method that only provides structural information, multiple reference phases can often be fit to a single pattern, leading to potential misinterpretation when alternative solutions are overlooked. To ease humans' efforts and address the challenge, we introduce Dara (data-driven automated Rietveld analysis), a framework designed to automate the robust identification and refinement of multiple phases from powder XRD data. Dara performs an exhaustive tree search over all plausible phase combinations within a given chemical space and validates each hypothesis using the BGMN Rietveld refinement routine. Key features include structural database filtering, automatic clustering of isostructural phases during tree expansion, and peak-matching-based scoring to identify promising phases for refinement. When ambiguity exists, Dara generates multiple hypothesis which can then be decided between by human experts or with further characterization tools. By enhancing the reliability and accuracy of phase identification, Dara enables scalable analysis of realistic complex XRD patterns and provides a foundation for integration into multimodal characterization workflows, moving toward fully self-driving materials discovery.
Excitons in recently discovered two-dimensional magnetic semiconductors have emerged as a promising vehicle for optoelectronic and spin-photonic applications. To exploit novel possibilities magnetic degrees of freedom offer, insight into the interplay of magnetism, lattice and optical excitations becomes essential. We consider Chromium Sulphur Bromide, which has two kinds of excitons, XB at 1.8 eV and XA at 1.38 eV. Here we show, through a combination of many body perturbation theory and experiment, that XB is an order of magnitude more sensitive to magnetic and lattice perturbations than XA. We trace the difference to the latter being localised (Frenkel-like), while the former is delocalised (Wannier-Mott-like) – a coexistence rarely seen in two-dimensional materials. This finding is supported by the strong temperature and magnetic field (up to 85 Tesla) dependent shifts in optical response for XB (much smaller for XA), and we show it is related to XB’s tendency for delocalisation (in-plane and out-of-plane) and enhanced coupling with Ag phonon modes. This study shows that CrSBr hosts Frenkel-like and Wannier-Mott-like excitons whose distinct spatial character explains their contrasting sensitivity to magnetic order and lattice vibrations, challenging the standard dichotomy in describing excitons.
