Article
Materials Science, Ceramics
Katelyn A. Kirchner, John C. Mauro
Summary: The thermodynamics and kinetics of glass ion exchange, including the entropy production, were analyzed. It was found that the entropy produced in the salt bath is the main driving factor for the reaction spontaneity.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Physics, Multidisciplinary
Jann van der Meer, Benjamin Ertel, Udo Seifert
Summary: This work investigates the waiting time distributions between consecutive transitions in a partially observable Markov network. An entropy estimator is formulated using the ratios of waiting time distributions to quantify irreversibility. Depending on the complexity of the underlying network, criteria are formulated to infer whether the entropy estimator recovers the full physical entropy production or provides a lower bound. Additionally, estimators for the network topology are derived using an equivalent semi-Markov description. The study provides a unifying mathematical framework for entropy estimators and clarifies the meaning of formal versus physical irreversibility.
Article
Chemistry, Physical
Yoshitsugu Kojima, Masakuni Yamaguchi
Summary: The thermodynamic analysis of ammonia storage materials revealed that the electronegativity of cations in metal chlorides and the electronegativity difference in metal halides play a crucial role in the stability of ammoniates. The stronger the binding energy, the smaller the entropy change caused by ammonia absorption. The standard entropy change Delta S-0 linearly increases with the natural logarithm of the volume difference Delta V of the ammonia storage materials.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Materials Science, Multidisciplinary
Sri Pragna Pendem, Li Haoge, Nobufumi Ueshima, Katsunari Oikawa, Yuhki Tsukada, Toshiyuki Koyama
Summary: This study performed atomic mobility and thermodynamic assessments of the fcc Co-Cr-Mn system using ternary diffusion data. The obtained atomic mobility and thermodynamic parameters were validated by simulating the ternary concentration profiles and comparing with experimental data.
JOURNAL OF MATERIALS SCIENCE
(2023)
Article
Agricultural Engineering
Ahmad Nawaz, Pradeep Kumar
Summary: This study investigated the thermal degradation kinetics of potato stalk using an isoconversional technique and mathematical deconvolution approach. The results showed the average activation energy values for different components of potato stalk and demonstrated the correlation between real and anticipated values through an artificial neural network. These findings are crucial for developing pyrolysis reactors that can utilize waste biomass for bioenergy production.
BIORESOURCE TECHNOLOGY
(2023)
Article
Physics, Multidisciplinary
Jacek Siodmiak, Adam Gadomski
Summary: This study investigates the far-from-equilibrium growth of spherulites with different growing modes. It suggests that spherulites may emerge prior to diffusion-controlled crystal growth. The factors influencing the two different evolution types of spherulitic growth modes are discussed.
Article
Materials Science, Multidisciplinary
Sri Pragna Pendem, Nobufumi Ueshima, Katsunari Oikawa, Yuhki Tsukada, Toshiyuki Koyama
Summary: The phase equilibria and diffusivity of the Co-Fe-Mn system were investigated using alloy equilibrium and the diffusion couple technique. The thermodynamic properties and diffusion mobilities were assessed using the CALPHAD approach. The isothermal sections of the ternary phase diagrams and diffusion paths were experimentally determined, and the interdiffusion coefficients and penetration profiles were calculated using the assessed atomic mobility parameters.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Guoshuai Du, Feng Ke, Wuxiao Han, Bin Chen, Qinglin Xia, Jun Kang, Yabin Chen
Summary: This study provides a detailed analysis on the structural metastability of black arsenic and identifies its existence conditions based on thermodynamic variables. The researchers also developed a thermal annealing strategy to control the thickness of black arsenic flakes.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Materials Science, Multidisciplinary
M. D. Kutuzau, A. Blokhin, Y. N. Yurkshtovich, S. E. Demyanov, N. A. Kalanda, M. Yarmolich, M. Serdechnova
Summary: The heat capacity and magnetisation of the single-phase compound Ba2FeMoO6-delta obtained by the solid-phase method were studied, revealing the existence of superparamagnetic state and phase transitions. Thermodynamic functions were calculated and the anomalies were classified as second-order phase transitions based on the heat capacity data.
PHILOSOPHICAL MAGAZINE
(2021)
Article
Chemistry, Applied
Bingjie Hu, Qianwang Zheng, Zhexi Weng, Jie Xiao, Yong Cao, Yaqi Lan
Summary: This study systematically investigated the influence of non-isothermal conditions on multi-component oleogel and found that the cooling rate modulated the crystal structure, physical properties, and assembly mechanism.
Article
Engineering, Chemical
Muhammad M. Generous, Naef A. A. Qasem, Syed M. Zubair
Summary: Electrodialysis desalination is best-suited for groundwater, with divalent ions playing a significant role in total charge flux. Divalent ions require less energy per unit charge flux compared to monovalent ions. Groundwater shows lower entropy generation rates compared to NaCl solution, with variations due to salinity changes.
Article
Engineering, Environmental
Suyong Kim, Sili Deng
Summary: Constant-volume combustion tests are widely used to study the performance of energetic materials, but the current metrics for evaluation depend on specific experimental conditions, making it difficult to compare results from different conditions and laboratories. This study proposes a kinetic modeling framework that can infer chemical kinetics and thermodynamic properties from pressure profiles obtained during the combustion process. The framework combines a physical model to predict thermodynamic states and an inverse model to calibrate parameters through sensitivity analysis. The success of the framework is demonstrated through synthesized data and experimental measurements, providing insights into gas release and temperature rise during constant-volume combustion.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Polymer Science
Julian Bachmann, Charlotte Petit, Lukas Michalek, Yohann Catel, Eva Blasco, James P. Blinco, Andreas-Neil Unterreiner, Christopher Barner-Kowollik
Summary: The study demonstrates that the photochemical cleavage of linear polymers containing a midchain photocleavable moiety strongly depends on the chain length, with the rate of polymer fragmentation increasing nonlinearly with higher molecular weight.
Article
Chemistry, Physical
Shuyu Liu, Wei Zhang, Yingbo Peng, Rui Zhou, Haijiang Wang, Qingyuan Ma
Summary: The (Fe40Co50Ni10)-(VNbTaZrCx) alloys, strengthened by in-situ high entropy multi-component carbides (MCCs), showed remarkable strengthening and toughening effects. The combination of high entropy MCCs with dispersion strengthening and grain refinement strengthening contributed to the increase in both strength and ductility. The microstructure of the alloys was significantly refined with the increase of carbon content, leading to improved mechanical properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Yaoxu Xiong, Jun Zhang, Shihua Ma, Biao Xu, Shijun Zhao
Summary: This study applies atomistically-informed cluster dynamics to investigate the defect evolution in multi-principal elemental alloys (MPEAs) for the first time and elucidates the critical features responsible for the irradiation performance of MPEAs. The results reveal that small clusters in MPEAs suppress the formation of large-sized defect clusters in the long term, and the major role of chemical complexity in MPEAs is to modify the growth mechanism of clusters by promoting small cluster formation and suppressing overall defect diffusivities.
MATERIALS & DESIGN
(2023)
