Article
Engineering, Environmental
Sihua Xu, Hongyun Hu, Guangzhao Guo, Lifang Gong, Huimin Liu, Hong Yao
Summary: The study demonstrates that molten salt thermal treatment technology has a good effect on the thermal detoxification of MSWI fly ash. The main components and physical properties of used molten salts change during cycling reuse, with increasing concentrations of K+ and SO42- and decreasing Cl-. Different salt components have varying effects on the thermal properties of molten salts, with KCl having the greatest influence on the specific heat capacity.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Physical
Jacob A. Yingling, Mina Aziziha, Juliano Schorne-Pinto, Jorge Paz Soldan Palma, Johnathan C. Ard, Ronald E. Booth, Clara M. Dixon, Theodore M. Besmann
Summary: In this study, a thermodynamic database suitable for alloy corrosion in chloride molten salt-fueled nuclear reactors is developed using modified quasichemical and single sublattice models. Differential scanning calorimetry measurements are conducted to determine phase equilibria and confirm existing equilibria. Thermodynamic values for compounds in the NaCl-CrCl2 and KCl-CrCl2 systems are estimated using elemental period correlations, providing a well-informed description of CrCl2 behavior in the Na-K-Mg-U3+-U4+ chloride salt compositions of technical interest.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Materials Science, Ceramics
Anugraha Thyagatur, Ruchi Gakhar, Dev Chidambaram, Pattrick Calderoni, Michael Buric, Leslie T. Mushongera
Summary: The development of molten salt reactors and concentrated solar power plants requires efficient instruments for monitoring the chemical conditions of the molten salt. Sapphire fibers are promising due to their radiation resistance and wider temperature range. This study uses thermodynamic modeling to analyze the compatibility of sapphire fibers with molten chloride salts and suggests that molybdenum and nickel could enhance the stability of sapphire in the desired temperature range. The presence of these cladding materials can provide a protective coating against corrosive molten salts.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Materials Science, Multidisciplinary
Z. Y. Liu, L. Yang, Q. Q. Zhou, Y. C. Zhou, G. Yan
Summary: By developing a mechanical model based on thermodynamic laws, this study successfully revealed the impact mechanism of molten silicate corrosion on thermal barrier coatings (TBCs), providing a new approach for studying corrosion failure in porous ceramics.
Article
Chemistry, Physical
G. I. L. van Oudenaren, J. A. Ocadiz-Flores, A. L. Smith
Summary: This study investigates the relationship between local structure and thermodynamic properties of molten chloride salts, particularly focusing on the NaCl-UCl3 system. Molecular dynamics simulations and thermodynamic modeling were combined to study a wide range of temperatures and compositions, revealing different liquid structures at low and high UCl3 content. The results were used to develop a coupled structural-thermodynamic model based on the quasi-chemical formalism, providing a physical description of the melt and reproducing the chemical speciation of uranium polymeric species.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
S. Hoseini, F. Yousefi, S. M. Hosseini, M. Pierantozzi
Summary: A combined molecular thermodynamic model with an equation of state was developed for correlating the surface tension of 7 molten polymers. The model achieved good agreement with experimental data and was further improved by applying a neural network.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Materials Science, Ceramics
Jean Noeel Yankwa Djobo, Dietmar Stephan
Summary: This study aims to assess the influence of the chemical composition of the binder resulting from the reaction of phosphoric acid and volcanic ash on its final characteristics. It was found that volcanic ash phosphate geopolymer with molar ratios of Fe/P = 0.5-0.54 exhibited the optimum compressive strength, lowest water absorption, and porosity.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Materials Science, Multidisciplinary
Sepideh Niazi, Alexander Bonk, Andrea Hanke, Moritz to Baben, Bruno Reis, Espen Olsen, Heidi S. Nygard
Summary: KCl-CuCl is a promising molten salt for biomass liquefaction due to its low melting point and high thermal and hydrolysis stability. This study investigates its thermodynamic properties and phase diagram through experiments and modeling.
Article
Energy & Fuels
Denian Li, Jizhang Yang, Menglei Chang, Yue Zhao, Haoran Yuan, Yong Chen
Summary: This study explored a novel molten salt Na2CO3 treatment to process coal fly ash (FA) into a robust matrix for constructing latent phase change composites. The treated composites showed improved LA content and thermal conductivity compared to the pristine FA, indicating potential for passive building cooling applications.
Article
Geochemistry & Geophysics
Felipe Gonzalez-Cataldo, Burkhard Militzer
Summary: We have investigated the structural properties of magnesium, magnesium oxide, and magnesium silicate liquids through ab initio computer simulations. By applying path-integral Monte Carlo and density functional theory molecular dynamics, we have determined the equation of state of magnesium-rich liquids under the conditions of condensed and warm dense matter. We have observed an unexpected local maximum in the pair correlation functions of high-density magnesium, which results in a decrease in the coordination number and reveals a higher packing.
Article
Chemistry, Physical
Zanhui Fu, Chunfa Liao, Xu Wang, Gengfeng Deng, Xun Zhou, Lianghua Que
Summary: This article develops mathematical models to investigate the coexistence of NdF3 anions in LiF-NdF3 molten salt. The influence of LiF/NdF3 mole ratio and temperature on the ion structure and conductivity of the molten salt is analyzed.
THEORETICAL CHEMISTRY ACCOUNTS
(2023)
Review
Energy & Fuels
Hatem Ahmad Aljaerani, M. Samykano, R. Saidur, A. K. Pandey, K. Kadirgama
Summary: This article discusses the recent advances in nano-enhanced molten salt (NEMS) and the nanoparticles used to enhance molten salts behavior for CSP systems. It focuses on how the addition of nanoparticles can improve the thermophysical properties of molten salts, and examines the effects of factors such as nanoparticle concentration and morphology on these properties.
JOURNAL OF ENERGY STORAGE
(2021)
Article
Green & Sustainable Science & Technology
Krystof Skrbek, Vilem Bartunek, David Sedmidubsky
Summary: Among alternative energy storage and production technologies, advanced heat transfer technologies have gained popularity. By adding nanomaterials, the thermophysical properties of molten salt-based composites can be improved. This review focuses on summarizing the progress in this area, including the influencing factors and preparation techniques.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2022)
Article
Materials Science, Coatings & Films
Rongzhen Xiao, Minglei Sun, Jun Cheng, Jie Guo, Juanjuan Chen, Jiao Chen, Shengyu Zhu, Jun Yang
Summary: In this study, the Al2O3 coating was prepared on stainless steel surface using a detonation gun spraying technique. The high-temperature tribological properties of the Al2O3 coating in FLiNaK molten salt were systematically studied by sliding it against SiC, Al2O3, and steel materials. The results showed that the Al2O3 coating has a high bonding strength and its tribological properties are significantly influenced by the counterface materials.
SURFACE & COATINGS TECHNOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Fausto Zamparini, Carlo Prati, Paola Taddei, Andrea Spinelli, Michele Di Foggia, Maria Giovanna Gandolfi
Summary: The aim of this study was to analyze the properties and bioactivity of three newly introduced premixed bioceramic root canal sealers containing different calcium silicates. The results showed that these sealers meet the required standards and release biologically relevant ions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Materials Science, Multidisciplinary
Min Chen, Katri Avarmaa, Lassi Klemettinen, Hugh O'Brien, Junjie Shi, Pekka Taskinen, Daniel Lindberg, Ari Jokilaakso
Summary: The distribution of precious metals between copper matte and slag was studied at 1300 degrees C and P-SO2 = 0.5 atm. Concentrations of precious metals in matte and slag were analyzed, showing the effects of P-SO2 and selected slag modifiers on precious metal distributions. These results provide experimental thermodynamic data for pyrometallurgical reprocessing of electronic waste via copper smelting processes.
METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Katri Avarmaa, Lassi Klemettinen, Hugh O'Brien, Ari Jokilaakso, Daniel Lindberg, Pekka Taskinen
Summary: The dissolution and solubility of palladium in iron silicate melts saturated with alumina-iron spinel at 1300 degrees C were measured, with findings indicating a relationship between the oxidation and activity of palladium with oxygen partial pressures that are applicable to copper and nickel smelting conditions. The study also revealed the applicability of palladium isotopes for quantitative analyses in these types of matrices.
Article
Materials Science, Multidisciplinary
Mykola Moroz, Fiseha Tesfaye, Pavlo Demchenko, Myroslava Prokhorenko, Serhiy Prokhorenko, Daniel Lindberg, Oleksandr Reshetnyak, Leena Hupa
Summary: The study experimentally evaluated the phase stabilities and thermodynamic properties of selected compounds in the Ag-Te-Cl system, identifying the formation of four new compounds below 500 K. By conducting careful electrochemical measurements in galvanic cells, the standard thermodynamic quantities of ternary compounds in the Ag-Te-Cl system were determined for the first time.
Article
Energy & Fuels
Fiseha Tesfaye, Daniel Lindberg, Dmitry Sukhomlinov, Pekka Taskinen, Leena Hupa
Summary: The thermal stabilities of selected ternary phases in the Ag-Cu-S system were studied using calorimetric and electromotive force techniques. The obtained thermodynamic properties were used to calculate the thermal energy of processes involving the ternary phases and develop a thermodynamic database. The database was combined with existing literature data to model the phase diagram of the Ag2S-Cu2S system.
Article
Chemistry, Multidisciplinary
Siim Link, Patrik Yrjas, Daniel Lindberg, Andres Trikkel
Summary: This study investigated the ash melting behavior of a blend of reed and wheat straw using various laboratory methods. The results showed that the melting started at 660-680 degrees C and the liquid mass fraction was 13.8% at this temperature, indicating the blend could become sticky. Intensive melting occurred in the temperature range of 800-980 degrees C, with rapid melting between 950 and 980 degrees C caused by the melting of SiO2 and K2MgSi5O12.
Article
Energy & Fuels
Siim Link, Patrik Yrjas, Daniel Lindberg, Andres Trikkel, Valdek Mikli
Summary: This study investigated the melting behavior of fuel ash blends of reed, pine wood pellets and Douglas fir wood chips. Various methods were used to examine the morphology and composition of the ash samples at different temperatures. The results revealed different reactions and gas releases during the melting process.
Article
Materials Science, Ceramics
Imam Santoso, Markus Riihimaki, David Sibarani, Pekka Taskinen, Leena Hupa, Min-Kyu Paek, Daniel Lindberg
Summary: This study investigates the phase relations in the Na2O-CaO-SiO2 system and confirms the formation of solid solutions of Na2CaSiO4 and Na2Ca2Si2O7. The impact of these solid solutions on the phase diagram features are examined. Ten primary phase fields and novel liquidus data were identified, providing essential data for the thermodynamic reassessment of the system. The findings also shed light on the melting and annealing processes in the manufacture of glass and glass-ceramics.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2022)
Article
Engineering, Chemical
David Sibarani, Hannu Sippola, Pekka Taskinen, Daniel Lindberg
Summary: The solubility of copper(II) sulfate in water as a function of temperature and ionic strength has been successfully modeled using Pitzer formalism. Four types of experimental data, including activity and osmotic coefficients, freezing point depression, and solubility of CuSO4 in water, were assessed to create a thermodynamic model. The study demonstrated that four Pitzer parameters with eight terms are sufficient to accurately model the CuSO4-H2O system up to 5 mol/kg-H2O of CuSO4, from the eutectic point to 373.15 K. The results were verified through comparisons with additional experimental data.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Engineering, Chemical
Liling Jin, Daniel Lindberg, Yoshihiko Tsuchiyama, Christian Robelin
Summary: A comprehensive evaluation of phase diagram and thermodynamic data has been conducted for the (Na2SO4 + K2SO4 + ZnSO4 + PbSO4) salt system, leading to optimized model parameters. The obtained parameters can be used to predict thermodynamic properties and phase equilibria in the multicomponent system, preventing deposit buildup, fouling, and corrosion of metallic structural and heat exchanger materials.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Desmond Attah-Kyei, Lassi Klemettinen, Radoslaw Michallik, Justin Salminen, Pekka Taskinen, Daniel Lindberg
Summary: This study focuses on the pyrometallurgical treatment of non-ferrous iron residue using hydrogen as a reducing agent. The results demonstrate that hydrogen is an effective reductant and can be used to recover valuable metals and convert the residue into reusable benign slag. Thermodynamic modeling also agrees well with experimental results, indicating the potential application of this method.
METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Iida Pankka, Justin Salminen, Pekka Taskinen, Daniel Lindberg
Summary: Millions of tons of iron residue are generated annually as a by-product of zinc production. This residue contains recoverable metals that can be valorized through further processing. Pyrometallurgical processing allows for the recovery of valuable metals while producing a clean slag.
Article
Green & Sustainable Science & Technology
Katri Avarmaa, Lassi Klemettinen, Pekka Taskinen, Daniel Lindberg, Jouni Pihlasalo, Hannu Johto, Ari Jokilaakso
Summary: This study examined the use of aluminum and aluminum-magnesium scrap as heat providers and reductants in pyrometallurgical copper processing, which can reduce carbon emissions. The results showed that these materials can enhance the recovery of nickel and copper in the metal/matte. The study also calculated the heat generated during the process.
JOURNAL OF SUSTAINABLE METALLURGY
(2022)
Article
Thermodynamics
Roland Balint, Markus Engblom, Jonne Niemi, Daniel Lindberg, Timo Saarinen, Jaakko Rautala, Mikko Hupa, Leena Hupa
Summary: By analyzing superheater ash deposits from a kraft recovery boiler, the effects of two deposit ageing mechanisms were identified. Local differences in deposit morphology and chemical composition were observed under the electron microscope. The diffusion of alkali chloride vapours towards the steel due to temperature gradient was evident. The presented results provide a better understanding of intradepositional changes and help assess risks of deposit-related operational problems in the boiler.
Proceedings Paper
Energy & Fuels
Fiseha Tesfaye, Daniel Lindberg, Mykola Moroz, Mikko Hupa, Leena Hupa
Summary: The role of Cu-based phases in combustion processes and their impact on the environment are investigated and discussed in this study.
REWAS 2022: ENERGY TECHNOLOGIES AND CO2 MANAGEMENT (VOL II)
(2022)
Proceedings Paper
Materials Science, Multidisciplinary
Mykola Moroz, Fiseha Tesfaye, Pavlo Demchenko, Myroslava Prokhorenko, Orest Pereviznyk, Bohdan Rudyk, Lyudmyla Soliak, Daniel Lindberg, Oleksandr Reshetnyak, Leena Hupa
Summary: This study investigated the differences in the thermodynamic functions of GeTe-rich and Bi2Te(3)-rich compounds and found that these differences correlate with the differences in their crystal structures.
TMS 2022 151ST ANNUAL MEETING & EXHIBITION SUPPLEMENTAL PROCEEDINGS
(2022)
Correction
Chemistry, Applied
Jia Liu, Juntong Dong, Xiaodan Li, Teng Xu, Zhenguo Li, Jeffrey Dankwa Ampah, Mubasher Ikram, Shihai Zhang, Chao Jin, Zhenlong Geng, Tianyun Sun, Haifeng Liu
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Seba Alareeqi, Daniel Bahamon, Kyriaki Polychronopoulou, Lourdes F. Vega
Summary: This study explores the potential application of single-atom-alloy (SAA) catalysts in bio-oils hydrodeoxygenation refining using density functional theory (DFT) and microkinetic modeling. It establishes the relationships between stability, adsorptive properties, and activity structures for bio-oil derivatives, providing guidance for the synthesis of cost-effective SAA combinations.
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Bin Hu, Wen -Ming Zhang, Xue-Wen Guo, Ji Liu, Xiao Yang, Qiang Lu
Summary: This study explored the pyrolysis behaviors and mechanisms of different monosaccharides, including arabinose, galactose, galacturonic acid, and glucuronic acid. The roles of structural differences in these monosaccharides were analyzed, and it was found that glucuronic acid undergoes a special C-C bond breaking reaction during pyrolysis. The findings provide a deep understanding of the pyrolysis chemistry of hemicellulose and the role of different branches.
FUEL PROCESSING TECHNOLOGY
(2024)
Review
Chemistry, Applied
Youwei Zhi, Donghai Xu, Guanyu Jiang, Wanpeng Yang, Zhilin Chen, Peigao Duan, Jie Zhang
Summary: Hydrothermal carbonization (HTC) is an effective method for the harmless disposal of municipal sludge (MS) and offers potential applications for the obtained products. Optimizing reaction conditions, coupling with other waste materials, and combining different processes can improve the performance of HTC. Furthermore, HTC contributes to energy recovery and enhances the quality of life cycle assessment.
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Jia Wang, Jianchun Jiang, Dongxian Li, Xianzhi Meng, Arthur J. Ragauskas
Summary: This study presents a scalable process for converting holocellulose and cellulosic wastes into advanced oxygen-containing biofuels with high furan, cyclic ketone, and ethanol content. By combining hydropyrolysis and vapor-phase hydrodeoxygenation using Pd/Al2O3 as a catalyst, the researchers achieved high yields and conversions. The integrated process holds great promise for biomass waste conversion into advanced biofuels.
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Florian Held, Jannis Reusch, Steffen Salenbauch, Christian Hasse
Summary: The accurate prediction and assessment of soot emissions in internal combustion engines are crucial for the development of sustainable powertrains. This study presents a detailed quadrature-based method of moments (QMOM) soot model coupled with a state-of-the-art flow solver for the simulation of gasoline engines. The model accurately describes the entire cause-and-effect chain of soot formation, growth and oxidation. Experimental validation and engine cycle simulations are used to identify the root cause of observed soot formation hotspots.
FUEL PROCESSING TECHNOLOGY
(2024)