Article
Chemistry, Physical
Frederico G. G. Alabarse, Benoit Baptiste, Yoann Guarnelli, Boby Joseph, Julien Haines
Summary: The behavior of porous aluminophosphate AlPO(4)-17 with a hexagonal ionite structure was studied under high pressure using single-crystal and powder X-ray diffraction. In the presence of nitrogen, oxygen, and argon as pressure transmitting media, the guest species were found to enter the pores of AlPO(4)-17, thereby modifying its properties. The collapse and amorphization of AlPO(4)-17 under pressure were suppressed, and the compressibility was reduced due to the insertion of guest molecules. A phase transition to a new hexagonal structure with cell doubling along the a direction was also observed at pressures above 4.4 GPa in the presence of oxygen.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Engineering, Chemical
Jia-Cheng Guo, Changlong Zou, Ching-Yu Chiang, Te-An Chang, Jiun-Jen Chen, Li-Chiang Lin, Dun-Yen Kang
Summary: The study introduces the use of NaP1 zeolite in membrane pervaporation, showing its high water diffusivity and adsorption selectivity, making it a promising material for alcohol dehydration processes, as demonstrated through experiments and simulations.
JOURNAL OF MEMBRANE SCIENCE
(2021)
Article
Physics, Multidisciplinary
Jingui Xu, Dongzhou Zhang, Sergey N. Tkachev, Przemyslaw K. Dera
Summary: Single-crystal x-ray diffraction (SCXRD) is crucial for studying crystal structures and phase transitions under high pressure. The PX2 program at the GSECARS 13-BM-C beamline offers state-of-the-art experimental capabilities for determining crystal structures under extreme conditions using SCXRD.
MATTER AND RADIATION AT EXTREMES
(2022)
Article
Chemistry, Applied
Ryuma Tanaka, Yuta Ito, Yasuhisa Hasegawa, Takeshi Higuchi
Summary: This study focused on the application of LTA zeolite membranes in the dehydration of ethanol, demonstrating the successful preparation of thin membranes with high permeation flux and separation factor by optimizing crystal growth conditions. The key factor affecting the permeability of the membrane was identified as the change in crystallographic orientation caused by aging, as indicated by SEM observation and XRD analysis.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Polymer Science
Xiang Shi, Pierre-Antoine Albouy, Pascale Launois
Summary: This study presents a different view that the evolution of X-ray patterns reflects changes in crystalline texture rather than polymorphism. This enables a quantitative description of X-ray fiber patterns but also highlights some fundamental structural issues.
Article
Chemistry, Inorganic & Nuclear
Yifei Zhang, Joakim Brorsson, Takashi Kamiyama, Takashi Saito, Paul Erhart, Anders E. C. Palmqvist
Summary: This study investigates the chemical ordering in quaternary clathrates Ba8AlxGa16-xGe30, revealing differences in site occupancy factors of trivalent elements and atomic displacement patterns of Ba atoms based on synthesis methods. The research demonstrates key relationships between chemical ordering and structural properties, providing new insights for designing and optimizing thermoelectric materials.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
John Cattermull, Krishnakanth Sada, Kevin Hurlbutt, Simon J. Cassidy, Mauro Pasta, Andrew L. Goodwin
Summary: We report the synthesis, crystal structure, thermal response, and electrochemical behavior of a Prussian blue analogue. The material exhibits complex structural features and undergoes slide distortions with temperature variation. The electrochemical tests show that it operates as a high-voltage K-ion cathode with improved initial capacity. The functional importance of the structural complexity is discussed in comparison with other related PBAs.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Valentina Yukhno, Sergey Volkov, Rimma Bubnova, Alexey Povolotskiy, Valery Ugolkov
Summary: A study on Ca2B2O5 revealed a reversible sequence of phase transitions at high temperatures, with the high-temperature modification α-Ca2B2O5 showing isostructural properties to α-Sr2B2O5 and displaying orientational disorder of isolated B2O5 pymborate groups. The thermal expansion of the material is strongly anisotropic, influenced by the preferential orientations of BO3 triangles in the structure.
SOLID STATE SCIENCES
(2021)
Article
Chemistry, Applied
Marco Fabbiani, Giorgia Confalonieri, Sara Morandi, Rossella Arletti, Simona Quartieri, Mario Santoro, Francesco Di Renzo, Julien Haines, Riccardo Fantini, Gloria Tabacchi, Ettore Fois, Giovanna Vezzalini, Gabriele Ricchiardi, Gianmario Martra
Summary: Zeolites serve as scaffolds for organizing molecules via non-covalent interactions, but their potential in promoting covalent bond formation in low-dimensional systems remains unexplored. By incorporating 1,5-hexadiene into high-silica mordenite channels, it was found that due to limited acid sites, 1,5-hexadiene slowly converted to a polymer mainly composed of cyclopentane units with short side chains that fit the channels. Zeolite frameworks play a dual role in directing monomer organization in void spaces and linear chain growth determined by channel geometry, highlighting their ability to control covalent bond transformations at ambient conditions for potential confined polymers applications.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Amy J. Knorpp, Ana B. Pinar, Christian Baerlocher, Lynne B. McCusker, Nicola Casati, Mark A. Newton, Stefano Checchia, Jordan Meyet, Dennis Palagin, Jeroen A. van Bokhoven
Summary: The research investigates the conversion of methane to methanol using copper-exchanged zeolites, with current productivity levels still too low. By understanding the nature of the active site, more effective catalysts could be designed for this conversion process.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Materials Science, Multidisciplinary
Rachel E. Lim, Darren C. Pagan, Donald E. Boyce, Joel Bernier, Paul A. Shade, Anthony D. Rollett
Summary: This study utilized high energy x-ray diffraction microscopy to investigate the anisotropic coefficients of thermal expansion for Ti-7Al alloy. It was found that grain-level internal stresses are affected by crystal structure changes and the dissolution of precipitates.
MATERIALS CHARACTERIZATION
(2021)
Article
Chemistry, Multidisciplinary
Shuo Feng, Rajesh Kumar Singh, Yucheng Fu, Zhuo Li, Yulong Wang, Jie Bao, Zhijie Xu, Guosheng Li, Cassidy Anderson, Lili Shi, Yuehe Lin, Peter G. Khalifah, Wei Wang, Jun Liu, Jie Xiao, Dongping Lu
Summary: In this study, a simple strategy was demonstrated for constructing low-tortuosity through-pores in both vertical and planar directions of electrodes by casting large particles into single-particle-layer electrodes. Through multi-scale characterizations and simulations, correlations between material/electrode structures, electrolyte permeability, polysulfide migration, and sulfur reactions were elucidated. The high-loading and dense sulfur cathode fabricated by this method delivers a high specific capacity at a very low electrolyte/sulfur ratio.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Multidisciplinary Sciences
Dominique Laniel, Florian Trybel, Bjoern Winkler, Florian Knoop, Timofey Fedotenko, Saiana Khandarkhaeva, Alena Aslandukova, Thomas Meier, Stella Chariton, Konstantin Glazyrin, Victor Milman, Vitali Prakapenka, Igor A. Abrikosov, Leonid Dubrovinsky, Natalia Dubrovinskaia
Summary: This study presents the chemical and structural diversity of lanthanum hydrides synthesized under high pressure, providing clues for the search of other hydrides and high-temperature superconductors. However, assessing potentially superconducting phases and the nature of electronic transitions remains a challenge.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Subarna Datta, Shovan Dan, Shuvankar Gupta, Sudip Chakraborty, Chandan Mazumdar
Summary: The detailed X-ray diffraction studies of rare-earth based compounds Nd2Fe17-xCrx revealed a negligible thermal expansion coefficient in the Nd2Fe16.5Cr0.5 compound, indicating a potential for zero thermal expansion magnetic systems. The critical analysis showed that all four samples belong to different types of universal magnetic class.
Article
Multidisciplinary Sciences
Marina Abe, Ryo Suzuki, Keiichi Hirano, Haruhiko Koizumi, Kenichi Kojimaa, Masaru Tachibana
Summary: The growth of high-quality protein crystals is essential for protein structure analysis. Twisting is identified as one of the main residual defects in high-quality crystals, determining their perfection. The handedness of twisting may be attributed to the interaction of chiral protein molecules with asymmetric units in crystal forms. This study provides insights into the growth mechanism and control of high-quality crystals.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Correction
Engineering, Chemical
Michael J. McGrath, Nicholas Patterson, Bryce C. Manubay, Samantha H. Hardy, John J. Malecha, Zhangxing Shi, Xiujun Yue, Xing Xing, Hans H. Funke, Douglas L. Gin, Ping Liu, Richard D. Noble
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2020)
Article
Chemistry, Multidisciplinary
I. C. Noyan, J. R. Bunn, M. K. Tippett, E. A. Payzant, B. Clausen, D. W. Brown
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2020)
Article
Chemistry, Multidisciplinary
Douglas E. Nicholson, Santo A. Padula, Othmane Benafan, Jeffrey R. Bunn, E. Andrew Payzant, Ke An, Dayakar Penumadu, Raj Vaidyanathan
Summary: Thermoelastic deformation mechanisms in polycrystalline biomedical-grade superelastic NiTi are studied using in situ neutron diffraction during multiaxial loading and heating. The reversible R-phase variant microstructure is able to accommodate stress and strain mismatch in different loading conditions.
ADVANCED MATERIALS
(2021)
Article
Engineering, Manufacturing
Niyanth Sridharan, Jeffrey Bunn, Michael Kottman, Chris M. Fancher, Andrew Payzant, Mark Noakes, Andrzej Nycz, Lonnie Love, Badri Narayanan, S. S. Babu
Summary: This study validates the hypothesis that proper selection of materials and process parameters can effectively reduce distortion and induce compressive residual stress in AM parts. Inter pass temperature plays a major role in controlling the residual stress evolution. Observations relating to the residual stresses are rationalized based on microstructural evolution in these samples.
ADDITIVE MANUFACTURING
(2021)
Article
Engineering, Multidisciplinary
Stylianos Chatzidakis, Wei Tang, Roger Miller, Andrew Payzant, Jeff Bunn, Charles Bryan, John Scaglione, Jy-An Wang
Summary: The study revealed that weld-induced residual stresses could lead to initiation and growth of cracks. Following repair, the residual stresses were redistributed and beneficial compressive stresses were introduced.
INTERNATIONAL JOURNAL OF PRESSURE VESSELS AND PIPING
(2021)
Article
Biochemistry & Molecular Biology
Madison L. Nelson, Joelle E. Romo, Stephanie G. Wettstein, Joseph D. Seymour
Summary: This study investigated the effects of xylose on the dynamics of water molecules in mesoporous 5A zeolite beads using nuclear magnetic resonance techniques. The results showed that xylose slightly enhanced rotational mobility of water molecules while decreasing their translational motion, by altering the permeability of the porous structure. Xylose was found to inhibit pure water from relocating into larger pores within the zeolite beads where it would eventually be expelled.
Article
Chemistry, Multidisciplinary
N. E. Peterson, J. R. Einhorn, C. M. Fancher, J. R. Bunn, E. A. Payzant, S. R. Agnew
Summary: Efficient and reliable texture measurements were explored using the NOMAD and NRSF2 neutron diffraction instruments at ORNL. While reasonable agreement was found across both methods, differences in texture strength and symmetry were noted depending on the data reduction and analysis method. Potential improvements were identified to enhance texture measurement capability on NOMAD.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2021)
Article
Materials Science, Multidisciplinary
Andrzej Nycz, Yousub Lee, Mark Noakes, Deo Ankit, Christopher Masuo, Srdjan Simunovic, Jeff Bunn, Lonnie Love, Victor Oancea, Andrew Payzant, Chris M. Fancher
Summary: Metal Big Area Additive Manufacturing (MBAAM), based on wire-arc process, is transitioning from rapid prototyping to industrial scale production. Challenges such as distortion and residual stress management need to be addressed in the production process.
MATERIALS & DESIGN
(2021)
Article
Chemistry, Multidisciplinary
Adam L. Job, Sarah M. Stratton, Charles E. Umhey, Karlene A. Hoo, Stephanie G. Wettstein
Summary: This study developed a feed-forward artificial neural network model to predict xylose conversion and furfural yield from autocatalytic reactions in various organic solvent systems. The findings indicated that significantly higher xylose conversions and furfural yields were observed in mixtures with polarities above 15 at severities greater than 4.33.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Chemistry, Applied
Xinpei Zhou, John L. Falconer, J. Will Medlin
Summary: This study reports that the ideal selectivity of C3H6/C3H8 adsorption can be significantly enhanced by changing the diffusion mechanism. Organic phosphonic acid monolayers can limit the diffusion of C3H6 and C3H8, leading to increased adsorption selectivity. The use of organic films may enable the rational design of selective adsorbents.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Nathan E. Peterson, Chris M. Fancher, Matthias Frontzek, Jeffrey Bunn, Andrew Payzant, Ke An, Sean Agnew
Summary: This article presents data collection and analysis strategies for crystallographic texture measurements using two recently upgraded neutron diffractometers. The results show that the texture data obtained from different instruments are consistent, and WAND(2) is more time efficient than HIDRA.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2022)
Article
Instruments & Instrumentation
J. R. Bunn, C. M. Fancher, E. A. Payzant, P. A. Cornwell, W. B. Bailey, R. Gregory
Summary: This paper describes the hardware and software upgrades, operation, and performance of the high intensity diffractometer for residual stress analysis (HIDRA) instrument located at Oak Ridge National Laboratory in Oak Ridge Tennessee, USA. The upgraded instrument has a single He-3 multiwire 2D detector, providing a larger field of view and improved out of plane solid angle. The enhanced features of HIDRA have been demonstrated by conducting diffraction measurements in quenched 750-T74 aluminum.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2023)
Article
Engineering, Manufacturing
Nicholas Sabry, Joshua Stroh, Dimitry Sediako, Glenn Byczynski, Anthony Lombardi, Andrew Payzant
Summary: The battery tray plays a crucial role in protecting and controlling battery cell temperatures in electric and plug-in hybrid vehicles. The functional stress limit of the battery tray relies heavily on the residual stress from the manufacturing process. It is important to understand residual stress formation for design and safety purposes.
JOURNAL OF MANUFACTURING PROCESSES
(2023)
Article
Materials Science, Multidisciplinary
Kannatassen Appavoo, Joyeeta Nag, Bin Wang, Weidong Luo, Gerd Duscher, E. Andrew Payzant, Matthew Y. Sfeir, Sokrates T. Pantelides, Richard F. Haglund
Article
Chemistry, Multidisciplinary
Lucas D. Ellis, Surya T. Parker, Jeremy Hu, Sarah F. Zaccarine, Michael J. Stellato, Hans H. Funke, Carsten Sievers, Svitlana Pylypenko, John L. Falconer, J. Will Medlin
CELL REPORTS PHYSICAL SCIENCE
(2020)
Article
Engineering, Chemical
Jiawei Hou, Shixuan Guo, Nigel Graham, Wenzheng Yu, Kening Sun, Ting Liu
Summary: A novel 2D composite membrane based on r-HGO and MXene materials was developed, demonstrating exceptional performance for water treatment in terms of permeability, pollutant rejection, and physical stability. The optimization of preparation conditions and material proportions can result in high water flux and efficient removal of pollutants.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Retraction
Engineering, Chemical
Chang Liu, Jinghong Liu, Liang Zhu, Shanfu Tang, Huixin Xiong
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Rui Gao, Caihong Liu, Andreia F. Faria, Qiang He, Chun Yang, Jun Ma
Summary: A novel copolymer architecture has been developed to address biofouling concerns in thin-film composite (TFC) membranes by integrating anti-fouling, bactericidal, and fouling-release functions. The multifunctional membrane demonstrates promising anti-adhesive properties, self-cleaning ability, and high flux recovery rate.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Alexander T. Bridge, Noah P. Wamble, Matthew S. Santoso, Joan F. Brennecke, Benny D. Freeman
Summary: This study demonstrates the reproducible preparation of high-flux defect-free asymmetric gas separation membranes using Cyrene(TM) as a majority dope formulation component. By adjusting the volume ratios of Cyrene(TM) and THF, as well as the concentrations of Matrimid(R) and the dry step time, optimal membrane performance is achieved.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Alessandra Imbrogno, Han Ya Lin, Babak Minofar, Andrea Iris Schaefer
Summary: In this study, a composite nanofiber membrane containing cross-linked beta-cyclodextrin-epichlorohydrin was prepared and evaluated for the removal of steroid hormones. The results showed that the membrane had high adsorption capacity and the ability to form a specific inclusion complex interaction with the hormones, indicating its potential application in hormone removal.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Bora Shin, Jaewon Shin, Yanuar Chandra Wirasembada, Ki Young Park, Jinwoo Cho
Summary: This study develops a mathematical model to estimate the initial flux of volatile fatty acids in the direct contact membrane distillation process. It identifies the parameters affecting the flux and their relationship with pH.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Yi-Jui Yeh, Jr Rong Liou, Wei Lin, Kuo-Lun Tung, Wei-Hung Chiang
Summary: This study demonstrates an effective plasma engineering method to create nitrogen-doped graphene quantum dot (NGQD)-inorganic nanocomposites for tunable molecular separation. The composite materials show high separation efficiency and controllable nanopore structures, making them potentially valuable for various applications.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Horacio Lopez-Marques, Kristofer L. Gleason, Manuel Aguilar-Vega, Rita Sulub-Sulub, J. Ehren Eichler, Hyeonji Oh, C. Buddie Mullins, Benny D. Freeman, Manish Kumar
Summary: In this study, water transport properties in Carbon Molecular Sieve (CMS) membranes were investigated. It was found that membranes synthesized at different pyrolysis temperatures exhibited varying water permeabilities. Compared to other polymeric materials, CMS membranes showed high water permeability, indicating potential for dehydration applications.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Dmitry A. Alentiev, Roman Yu. Nikiforov, Marina A. Rudakova, Danil P. Zarezin, Maxim A. Topchiy, Andrey F. Asachenko, Nikolay A. Belov, Maxim Bermeshev
Summary: A series of new norbornene-type monomers containing linear and branched substituents were synthesized, and robust thin membranes were prepared by vinyl-addition polymerization. Gas separation performance for the synthesized polymers was evaluated, and the structure of substituent side chains was found to significantly affect gas permeability and CO2 facilitated transport.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Lei Yan, Qi Zhang, Ze Zhang, Gui-Jie Li, Yi Jin, Xin-Lin Zhang, Yan-Yun Sun
Summary: In this study, a continuous, stable and fast ion transport channel was established through in-situ guided cross-linking of zinc alginate hydrogels on a porous membrane, overcoming the negative pore effect and effectively inhibiting the dendrite growth of zinc anodes and interfacial side reactions.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Yuqing Zhang, Ailing Zhang, Huiyang He, Yuting Fan, Yongjiang Li, Song Wang, Sanxi Li
Summary: The Langmuir-Blodgett self-assembly process is used to create an ordered SPEEK membrane, which enhances the proton conductivity by three times compared to conventional solution casting method.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Hasan Ismaeel, David Gibson, Eleonora Ricci, Maria Grazia De Angelis
Summary: In this study, a machine learning-based group contribution method (ML-GC) was developed to predict pure polymer parameters and successfully applied to predict gas solubility and gas solubility isotherms in glassy polymeric membranes. The model showed satisfactory performance on a small dataset, but has the potential to provide more accurate predictions for a wider range of polymers as more data becomes available.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Yi Ji, Yu Sun, Huilin Li, Qiang Fu, Yan Zhang
Summary: Previous studies have shown that vibration- or rotation-based techniques can effectively mitigate fouling during membrane filtration. However, it is difficult to incorporate these techniques with spiral wound modules (SWMs) widely used in water and wastewater treatment. This study developed a prototype membrane system to accommodate angular vibrations with a modified SWM, and experimental results showed that applying angular vibrations can effectively control algal fouling in an SWM with lower energy consumption compared to traditional methods.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Lakshmeesha Upadhayaya, Abaynesh Yihdego Gebreyohannes, Muhammad Wakil Shahzad, Usman T. Syed, Sandra L. Aristizabal, Radoslaw Gorecki, Suzana P. Nunes
Summary: Increasing temperatures worldwide pose a significant health risk, exacerbated by high humidity. Conventional air conditioners contribute heavily to carbon dioxide emissions, with dehumidification being a major factor. Membrane-based dehumidification system offers energy efficiency and non-toxic water vapor removal. This study demonstrates a membrane dehumidification system with polymeric hollow fibers coated with a green polyphenol coating, showing remarkable water vapor transport rate and selectivity. Long-term testing reveals minimal decline in vapor transport and a 4-5 times higher coefficient of performance (COP) compared to conventional dehumidifiers, making it a highly competitive, energy-saving device with reduced emissions and a smaller footprint.
JOURNAL OF MEMBRANE SCIENCE
(2024)
Article
Engineering, Chemical
Zhengzhong Zhou, Xue Zhu, Yi Yuan, Shaoqiang Wang, Xiaoshan Meng, Taoli Huhe, Qian Wang
Summary: In this study, lignin, a biomass material, was chemically modified and utilized in the interfacial polymerization process to improve the performance of nanofiltration membranes. The modified membranes showed enhanced hydrophilicity and anti-fouling properties, and the optimization of membrane pore size increased permeability. The study also demonstrated the potential application of the membranes in biogas slurry valorization.
JOURNAL OF MEMBRANE SCIENCE
(2024)