Article
Thermodynamics
Robert E. Ferguson, Alan A. Esparza, Evgeny Shafirovich
Summary: Green monopropellants based on hydroxylammonium nitrate (HAN) show potential as a replacement for hydrazine in space propulsion systems, but their combustion mechanisms at high pressures are not well understood. Experiments revealed that the decomposition temperature of HAN decreases with increasing pressure, while the linear burning rate shows different dependencies on pressure at various ranges.
PROCEEDINGS OF THE COMBUSTION INSTITUTE
(2021)
Article
Chemistry, Inorganic & Nuclear
Kalpana Chintakrinda, Nagaraju Narayanam, Guang-Hui Chen, Fei Wang, Jian Zhang, Lei Zhang
Summary: We report the discovery of inorganic toroidal and capsule titanium oxysulfate clusters through ionothermal synthesis. The ratio between geometrically different anions (tetrahedral SO(4)(2-) vs. pseudo-tetrahedral PO(3)(3-)) shows an interesting influence on the formation of cluster structure.
DALTON TRANSACTIONS
(2022)
Article
Crystallography
Tao Yang, Jinjia Liu, Xiaotong Liu, Xiulei Liu, Ning Li
Summary: The study used evolutionary algorithms to predict a series of CHn structures at high pressures, with CH and CH2 being graphane-type and polyethylene-type, and CH4 representing crystalline methane. For CH6, CH8, CH10, and CH12 at pressures below 300 GPa, a combination with hydrogen was observed, while at 400 GPa, a mixture with polymer and hydrogen became prevalent. Enthalpy calculations showed that higher pressures and higher hydrogen concentrations led to the decomposition of CHn systems, with only the CH12 phase showing metallic properties above 300 GPa. Rotation properties were also examined, with CH4 rotation being more sensitive to pressure and H-2 units showing high rotational freedom. Other CHn structures, such as fcc-type and experimentally known structures, were found to be less competitive under high pressure conditions compared to those predicted by evolutionary algorithms. The study concludes that the CHn system, with n greater than 4, could be a potential candidate for hydrogen storage, with hydrogen release controlled by pressure manipulation.
Article
Chemistry, Physical
Beihang Xu, Yao An, Xinjia Zheng, Zhiwu Chen, Zhaoxiang Yang, Yongjia Yang, An Zhang, Yapei Wang, Yonglin He
Summary: This study proposes a simple method to enhance temperature sensitivity under high-pressure conditions by doping metal salts into ionic liquids. The iron-ion doped ionic liquid showed exceptional sensitivity and detection of minute temperature differences. Additionally, polyurethane swollen by the ionic liquid successfully detected temperature changes under high pressure.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
M. Rothe, G. Quintard, M. Kronseder, P. Bauduin, T. Zemb, W. Kunz
Summary: This study investigates the microstructure of H[C8E5c] and its metal salts using X-ray scattering methods, which shows the existence of spherical micelles in diluted aqueous solutions and the interdigitation of head groups at high concentrations. The study also reveals the arrangement of metal cations between the micelles, which could be responsible for the unique properties of these systems.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Yifan Tian, John S. Tse, Guangtao Liu, Hanyu Liu
Summary: This study investigates the crystal structures of xenon-alkali metal (Xe-AM) systems under high pressures through extensive simulations. The results reveal that KXe and RbXe become stable at lower pressures than previously reported CsXe, contrary to the electronegativity order of the alkali metals. Moreover, all predicted Xe compounds contain negatively charged Xe, and the occupation of alkali metal d-orbitals plays a critical role in stabilizing these Xe-bearing compounds.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Yanzhi Li, Yue Wu, Weiguo Qiao, Shuai Zhang, Xungang Li
Summary: This paper analyzes the permeability evolution of four subcategories of sandstone with different pore structures under different confining pressures, pore water pressures and temperatures through experiments. The results show that the permeability of the four tested sandstone subcategories decreases with increasing confining pressure, but at different rates. The permeability of the sandstone subcategories changes linearly or following a power function with increasing pore water pressure and tends to be stable under high confining pressures. The permeability of the sandstone subcategories also decreases at different rates with increasing temperature. The study indicates that confining pressure has the greatest influence on permeability, followed by water pressure and temperature. The findings can guide the classified grouting of deep sandstone and optimize grouting parameters.
APPLIED SCIENCES-BASEL
(2023)
Article
Thermodynamics
Pedro F. Arce, Edson M. Igarashi, Nian Freire, Dreidy M. Vasquez, Pedro A. Robles
Summary: Ionic liquids are widely used in various applications such as recovery of valuable products and removal of pollutants. In this study, high-pressure vapor-liquid equilibria of binary mixtures of light hydrocarbons and IL were modeled using different equations of state and mixing rules, with satisfactory results in terms of agreement between predicted and experimental data. Adjustments were made based on thermodynamic consistency tests and temperature-dependent parameters.
FLUID PHASE EQUILIBRIA
(2021)
Article
Materials Science, Multidisciplinary
Rahul Kaiwart, Abhilash Dwivedi, M. Modak, Adish Tyagi, Sandeep Nigam, K. K. Pandey, T. Balaganapathi, A. K. Poswal, H. K. Poswal
Summary: The high-pressure behavior of Y1.8Eu0.2Ge2O7 has been studied, revealing amorphization and crystalline phase transformation under pressure. The coordination change at cation sites and the emergence of different symmetries for Eu3+ ions have been observed. The system shows quenchability of higher coordinated crystalline and amorphous phases depending on the pressure cycling pathway.
Article
Geochemistry & Geophysics
Naoki Hisano, Tatsuya Sakamaki, Tomonori Ohashi, Ken-ichi Funakoshi, Yuji Higo, Yuki Shibazaki, Akio Suzuki
Summary: X-ray diffraction analysis and ultrasonic measurements were conducted on a glass with pyrope composition to determine its structural and elastic properties at various pressures. The study revealed that the structural evolution of the glass is closely related to changes in compression wave velocity, shear wave velocity, and Poisson ratio. The velocities of the pyrope glass are influenced by its initial density, determined by the chemical composition, indicating the importance of magnesium cations in controlling the behavior of silicate glass under pressure.
AMERICAN MINERALOGIST
(2021)
Article
Chemistry, Multidisciplinary
Jocasta Avila, L. Fernando Lepre, Catherine C. Santini, Martin Tiano, Sandrine Denis-Quanquin, Kai Chung Szeto, Agilio A. H. Padua, Margarida Costa Gomes
Summary: Porous ionic liquids based on ZIF-8 and phosphonium salts show increased carbon dioxide absorption capacity at low pressures. By combining MOFs with ionic liquids, the absorption of carbon dioxide can be greatly enhanced, leading to the development of high-performance liquid materials for effective low pressure carbon capture.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
R. Gustavo J. Chacon, Fabiano S. Rodembusch, Brunno L. Albuquerque, Wellington D. G. Goncalves, Jonder Morais, Daniel L. Baptista, Allan de Moraes Lisboa, Adriano Feil, Dario Eberhardt, Jose Espeso, Jairton Dupont
Summary: In this study, a photocatalytic device based on gold nanoparticles coated with an ionic liquid was developed for hydrogen evolution reactions via methanol photo reforming and photocatalytic water-splitting. The device prepared through magnetron sputtering exhibited direct Au-TiO2 interactions and the presence of the ionic liquid enhanced the photocatalytic performance. The results showed high apparent quantum yield values for hydrogen evolution using the prepared materials.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Engineering, Chemical
Ziyuan Liu, Jue Kou, Chunbao Sun
Summary: The use of [C2MIM][N(CN)2] ionic liquids as electrolytes and three-dimensional carbon felt as cathode material can improve the efficiency of gold electrodeposition. By regulating the electrodeposition parameters, the optimal current efficiency, energy consumption, and recovery of gold and iodine were achieved.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Physical
Shoutao Zhang, Qiuping Yang, Xiaohua Zhang, Kaixuan Zhao, Hong Yu, Li Zhu, Hanyu Liu
Summary: Research interest in gold science has been increasing due to its diverse physical and chemical properties. By utilizing crystal structural search and first-principles calculations, researchers have predicted stable Li-Au-H compounds under compression, including ones with gold-to-hydrogen bonding. These compounds exhibit diverse arrangements of gold atoms and possess superconducting and semiconducting properties. These findings provide insights into the structures, electron properties, bonding behavior, and stability mechanisms of ternary Li-Au-H and F-Au-H compounds.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Ryo Watanabe, Fumiya Karasawa, Chikamasa Yokoyama, Kazumasa Oshima, Masahiro Kishida, Masahiro Hori, Yukinori Ono, Shigeo Satokawa, Priyanka Verma, Choji Fukuhara
Summary: This study evaluated the catalytic properties of Fe/CeO2 catalyst, commercial Cu-Zn catalyst, and Co-Mo catalyst for the reverse water gas shift reaction (RWGS) in the presence of hydrogen sulfide (H2S). The Fe/CeO2 catalyst showed higher catalytic activity compared to the commercial Cu-Zn and Co-Mo catalysts, and exhibited stable performance in the RWGS environment with high concentrations of H2S. The role of cofeeding H2S was investigated and found to enhance RWGS performance by serving as a hydrogen source to reduce CO2.
