Article
Materials Science, Multidisciplinary
Patrik Sahiluoma, Yuriy Yagodzinskyy, Sven Bossyut, Hannu Haenninen
Summary: Spent nuclear fuel is planned to be stored in thick copper canisters at a considerable depth in the bedrock. However, hydrogen uptake in the copper can occur due to corrosion and irradiation effects. Understanding the conditions that lead to the formation of pressurized hydrogen bubbles near the copper surface is crucial. Experimental measurements showed that hydrogen bubbles grow and form voids near the copper surface, with plastic deformation and increasing temperature being contributing factors. The study also found a threshold potential for increased hydrogen uptake and void formation.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Lei Zhang, Xiaorui Gao, Ying Zhu, Acan Liu, Huilong Dong, Dajun Wu, Zhida Han, Wei Wang, Yong Fang, Jie Zhang, Zongkui Kou, Bin Qian, Ting-Ting Wang
Summary: The study demonstrates that copper doping can enhance water adsorption and dissociation of Ni3S2, leading to improved hydrogen evolution reactions in alkaline and neutral solutions. The tailored control of water adsorption/dissociation capability of Ni3S2 opens significant opportunities for the rational design of electrocatalysts.
Article
Chemistry, Physical
Huawei Huang, Hyeonjung Jung, Shaofeng Li, Seongbeen Kim, Jeong Woo Han, Jinwoo Lee
Summary: Activating inert Cu for enhanced HER performance through trace doping of Ru (0.70 wt%) shows lower energy barriers for the water dissociation process and optimized binding energy with H* . The synthesized Ru doped Cu exhibits excellent electrocatalytic behaviors with only overpotentials of 33 and 34 mV to reach 10 mA cm-2 in alkali and acid, respectively, along with remarkable long-term stability, providing an electronic engineering pathway for modifying metallic copper's electrocatalysis.
Article
Chemistry, Multidisciplinary
Jury J. Medvedev, Yulia Tobolovskaya, Xenia Medvedeva, Stephen W. Tatarchuk, Feng Li, Anna Klinkova
Summary: The anaerobic digestion (AD) of N-enriched waste streams combined with nutrient recovery from AD effluents is a cost-effective waste treatment technology for simultaneous production of biogas and recycled fertilizers. In this study, NH4NO3 fertilizers containing sulfur or phosphorus were efficiently synthesized through Ni(OH)(2)-catalyzed electrochemical oxidation of ammonia (AOR). Detailed mechanisms for the formation of major products and the role of NiOOH in the reaction were proposed.
Article
Chemistry, Multidisciplinary
Xiaomei Xu, Qingqing An, Hao Sun, Yongchun Wang, Wenhui Shang, Lixia Bao, Zhiyu Jia, Qiang Zhang
Summary: This study focuses on developing efficient and low-cost oxygen evolution reaction (OER) catalysts, utilizing ethylene glycol to synthesize a Cu2O-rGO composite. The material changes the OER process under alkaline conditions, showing promising electrocatalytic oxygen generation performance. Investigating the mechanism of this catalyst will guide the synthesis of novel non-noble-metal catalysts for applications in energy and the environment.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Engineering, Environmental
Ruhi Sultana, Lauren F. Greenlee
Summary: A sustainable approach to tackle the limited availability of rock phosphate involved electrochemically recovering phosphorus as struvite fertilizer. The study found that applying a dynamic voltage with a sinusoidal waveform could enhance the recovery of struvite by breaking down the passivating films on magnesium surfaces. The use of this dynamic potential resulted in a significantly higher release of magnesium ions and a greater phosphate recovery compared to constant voltage applications.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Materials Science, Multidisciplinary
Fan Zhang, Cem Ornek, Min Liu, Timo Mueller, Ulrich Lienert, Vilma Ratia-Hanby, Leena Carpen, Elisa Isotahdon, Jinshan Pan
Summary: Through synchrotron high-energy XRD measurements and ab-initio DFT calculations, it was found that sulfur promotes hydrogen adsorption on copper. Water-induced surface reconstruction and hydrogen insertion into the microstructure lead to lattice expansion and weakening of metal bonds, ultimately causing lattice degradation and a risk of hydrogen-induced cracking in the presence of sulfur.
Article
Chemistry, Physical
Min Hu, Ke Ye, Guozhen Zhang, Xiyu Li, Jun Jiang
Summary: The catalytic activity of the oxygen/hydrogen evolution reaction (OER/HER) on dual-site catalysts on graphene has been studied using density functional theory calculations. The results show that both the maximum free energy change (Delta GMax) and the activity barrier (Ea) must be considered in evaluating the catalytic activity of the OER/HER on the dual site. Importantly, there is a negative relationship between Delta GMax and Ea, which is essential for the rational design of effective dual-site catalysts for electrochemical reactions.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Kaiyue Zhao, Xiaoxia Chang, Hai-Sheng Su, Yiming Nie, Qi Lu, Bingjun Xu
Summary: Developing efficient catalytic systems for the hydrogen oxidation and evolution reactions is crucial for transitioning to renewable energy. It has been recognized that the activity of these reactions depends on the properties of the electrochemical interface rather than just the catalyst's composition and structure. In this study, the authors demonstrate that specifically adsorbed organic additives can enhance the intrinsic activity of polycrystalline Pt for the HOR/HER reactions by up to a factor of 3 by introducing weakly hydrogen-bonded water. This work highlights the potential of electrochemical interfacial engineering to enhance electrocatalytic performance.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Engineering, Geological
Hafssa Tounsi, Jonny Rutqvist, Mengsu Hu, Ralf Wolters, Svetlana Lerche
Summary: Rock salt is a potential host for heat generating nuclear waste due to its self-sealing capacity, low permeability, and high thermal conductivity. The geologic disposal of larger-sized canisters originally designed for spent fuel storage and transportation is being considered as a cost-effective alternative; however, their long-term vertical movement and low-stress creep behavior need to be evaluated. Different creep models were compared and the results showed that models calibrated only against high-deviatoric stress data might lead to inaccurate estimations of canister movement in salt formations.
Article
Materials Science, Ceramics
Mingyang Zhao, Nancy Birkner, Joseph Schaeperkoetter, Robert J. Koch, Patrick Russell, Scott T. Misture, Theodore Besmann, Jake Amoroso, Kyle S. Brinkman
Summary: A series of Cr-substituted hollandite solid solution with a broad range of Cs content were investigated. Increasing Cs content induced a phase transition and improved thermodynamic stability. The study also found that the leaching performance of Cr hollandite samples was lower compared to other systems.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Materials Science, Multidisciplinary
Suraj. Y. Persaud, Wilfred J. J. Binns, Mengnan Guo, Desmond Williams, Qingshan Dong, Gabriel A. A. Arcuri, Kevin Daub, Roger C. C. Newman, Mark R. R. Daymond, Peter G. G. Keech
Summary: The metallurgy, mechanical properties, and corrosion of Cu as the corrosion barrier for Canadian used fuel containers for use in a deep geological repository have been extensively studied. However, many degradation mechanisms are still unclear from bulk testing. This study uses advanced microscopy to understand the mechanisms of Cu degradation and indicates the need for further research on the performance of cold-sprayed Cu.
MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
(2023)
Article
Materials Science, Multidisciplinary
Qigui Yang, Zhongwen Chang, Luca Messina, Nils Sandberg, Nicolas Castin, Amine Yousfi, Elin Toijer, Mattias Thuvander, Bruno Boizot, Vincent Metayer, Dominique Gorse-Pomonti, Paer Olsson
Summary: In this study, the clustering of copper in iron under irradiation was investigated using experiments, cluster dynamics, and atomistic kinetic Monte Carlo simulations. The results from experiments and simulations showed satisfactory agreement, confirming the validity of the models. The simulations also indicated that the potential hardening caused by copper clustering in spent-fuel repository conditions over a long period of time is negligible.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Shuai Cao, Xiaoming Fan, Li Wei, Ting Cai, Yuping Lin, Zeheng Yang
Summary: OER is a critical reaction in renewable and clean electrochemical energy systems, and a new Fe-doped NixP electrocatalyst has been developed to reduce the overpotential and improve the reaction kinetics. The Fe-doped NixP electrocatalyst shows excellent performance in terms of low overpotential and high reaction rate.
DALTON TRANSACTIONS
(2023)
Article
Engineering, Chemical
Yuyang Cui, Shuaiqi Li, Hualiang An, Xinqiang Zhao, Yanji Wang
Summary: The integration of acetal hydrolysis with the Guerbet condensation of ethanol was found to be an effective approach for achieving higher selectivity and conversion for the synthesis of n-butanol. The experimental results showed that the selectivity of n-butanol was significantly improved in the integrated reaction compared to the Guerbet condensation alone. Kinetic analysis further revealed that acetal hydrolysis could lower the activation energy of key steps, thereby promoting the Guerbet condensation of ethanol.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
F. King, M. Kolar, P. G. Keech
CORROSION ENGINEERING SCIENCE AND TECHNOLOGY
(2014)
Article
Materials Science, Multidisciplinary
F. King, C. Lilja
CORROSION ENGINEERING SCIENCE AND TECHNOLOGY
(2014)
Article
Materials Science, Multidisciplinary
F. King, D. Burt, J. Ganeshalingam, P. Gardner, D. Sanderson, S. Watson, C. Padovani
CORROSION ENGINEERING SCIENCE AND TECHNOLOGY
(2014)
Article
Materials Science, Multidisciplinary
Christina Lilja, Fraser King, Ignasi Puigdomenech, Barbara Pastina
Summary: This study conducted thermodynamic calculations using the PHREEQC software to select a suitable database for evaluating repository performance, with a focus on activity coefficient models. The assessment of chloride-assisted corrosion revealed varying copper solubilities under different mass transport scenarios.
MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
(2021)
Article
Materials Science, Multidisciplinary
Fraser King, Miroslav Kolar, Ignasi Puigdomenech, Petteri Pitkanen, Christina Lilja
Summary: The copper sulfide model has been extended to simulate microbial reduction of sulfate in a repository, considering processes such as Monod kinetics, organotrophic and chemotrophic sulfate reduction, and dissolution of solid organic matter and gypsum. Results indicate that siderite dissolution and the precipitation of microbially produced sulfide as mackinawite are important processes in the repository environment.
MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
(2021)
Article
Materials Science, Multidisciplinary
Scott Briggs, Christina Lilja, Fraser King
Summary: A probabilistic pitting model is developed for predicting perforation corrosion probabilities in water-saturated bentonite under aerobic conditions. The model indicates that environments under passive conditions may lead to pitting in the first few years, primarily influenced by oxygen availability.
MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
(2021)
Article
Materials Science, Multidisciplinary
Timo Salonen, Tiina Lamminmaki, Fraser King, Barbara Pastina
Summary: Posiva Oy is preparing to submit an operating licence application for a spent nuclear fuel geologic repository in Olkiluoto, Finland, using the KBS-3 concept developed in collaboration with SKB. The project utilizes a copper overpack to ensure containment of radioactive materials.
MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
(2021)
Article
Materials Science, Multidisciplinary
Mehran Behazin, Scott Briggs, Fraser King
Summary: This paper presents the development of a mixed-potential model that combines the anodic dissolution of copper with the oxidation and reduction of radiolysis products, enabling the long-term prediction of radiation-induced corrosion of copper. The overall conceptual model is described, followed by a detailed discussion on the use of COMSOL software to predict bulk radiolysis behavior. Several validation methods, including comparison with short-term experimental data, are employed to validate the COMSOL model. The underlying principles, assumptions, and validation results are presented.
MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
(2023)
Article
Materials Science, Multidisciplinary
Petri Koho, Fraser King, Tomi Prihti, Timo Salonen, Lasse Koskinen, Barbara Pastina
Summary: Posiva Oy has applied for an operating license in Finland to dispose of spent fuel in a deep geological repository. The application is based on decades of research and development by experts from Finland, Sweden, and internationally. This paper discusses the corrosion performance of the canister in the long-term safety case, emphasizing the importance of relating laboratory observations to expected environmental conditions and using complementary models to improve long-term predictions. Examples of canister lifetime predictions for different scenarios and climate conditions are provided.
MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
(2023)
Article
Materials Science, Multidisciplinary
Fraser King, Mehran Behazin, Peter Keech
Summary: Natural and archaeological analogues are useful for predicting long-term corrosion in nuclear waste systems, providing confidence to experts and lay audiences. These analogues demonstrate both the expected and unexpected corrosion processes for copper and steel fuel containers under repository conditions. The concept of kinetic versus thermodynamic stability explains the persistence of such analogues and supports long-term corrosion performance predictions.
MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
(2023)
Article
Materials Science, Multidisciplinary
Fraser King, David S. Hall, Peter G. Keech
CORROSION ENGINEERING SCIENCE AND TECHNOLOGY
(2017)
Article
Materials Science, Multidisciplinary
Fraser King, Jian Chen, Zack Qin, David Shoesmith, Christina Lilja
CORROSION ENGINEERING SCIENCE AND TECHNOLOGY
(2017)
Article
Materials Science, Multidisciplinary
Chi-Che Hung, Yuan-Chieh Wu, Fraser King
CORROSION ENGINEERING SCIENCE AND TECHNOLOGY
(2017)
Article
Materials Science, Multidisciplinary
Z. Qin, R. Daljeet, M. Ai, N. Farhangi, J. J. Noel, S. Ramamurthy, D. Shoesmith, F. King, P. Keech
CORROSION ENGINEERING SCIENCE AND TECHNOLOGY
(2017)
Article
Materials Science, Multidisciplinary
C. Padovani, F. King, C. Lilja, D. Feron, S. Necib, D. Crusset, V Deydier, N. Diomidis, R. Gaggiano, T. Ahn, P. G. Keech, D. D. Macdonald, H. Asano, N. Smart, D. S. Hall, H. Hanninen, D. Engelberg, J. J. Noel, D. W. Shoesmith
CORROSION ENGINEERING SCIENCE AND TECHNOLOGY
(2017)
