Article
Engineering, Environmental
Hongyu Chen, Yang Guo, Yankun Du, Xiang Xu, Changqing Su, Zheng Zeng, Liqing Li
Summary: The study examined the capture performance of CO2 molecules on M-doped functionalized-graphite surfaces with varying pore sizes using GCMC simulation and DFT. Results showed that surface functional groups and pore sizes play significant roles in CO2 adsorption behavior, with phosphorus-doped surfaces exhibiting the most prominent influence.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Physical
Yang Guo, Changqing Su, Hongyu Chen, Jinxian Wang, Baogen Liu, Zheng Zeng, Liqing Li
Summary: The separation properties of microporous and mesoporous activated carbons for acetone-methanol mixture were studied. MEC showed higher selectivity for methanol compared to MIC.
APPLIED SURFACE SCIENCE
(2023)
Article
Construction & Building Technology
Yujiang Wang, Qian Tian, Hua Li, Yang Wang, Ming Li, Jiaping Liu
Summary: Early age shrinkage behaviors of cement-based materials are influenced by bleed water, hydration products, and temperature. However, it has been discovered that expansion can still occur without the reabsorption of bleed water, formation of expansive products, and thermal expansion. This is because the expansion happens during cavitation of the paste, which is caused by stress release.
CONSTRUCTION AND BUILDING MATERIALS
(2022)
Article
Chemistry, Physical
I. K. Petrushenko, K. B. Petrushenko
Summary: In this study, the authors theoretically investigate the passage of alkali metal cations through phenine nanotubes with different types of pores. By using symmetry-adapted perturbation theory, the energy barriers for different alkali metal cations have been calculated. The results reveal that the interaction mechanisms between alkali metal cations and the nanotube pores are influenced by various factors, including exchange, dispersion, induction, and electrostatic energies. The findings shed light on the understanding of the interactions between alkali metal cations and the sidewall pores of novel nanotubes and may have potential applications in the design of new nanotube-based devices.
SURFACES AND INTERFACES
(2022)
Article
Engineering, Chemical
Hongyu Chen, Yang Guo, Ke Zhou, Jinxian Wang, Zheng Zeng, Liqing Li
Summary: The purpose of this study is to analyze the influence of surface functional groups and pore sizes of graphene on CO2 adsorption and separation behaviors. It is found that M-doped functionalized graphene materials show higher CO2 adsorption selectivity than pristine graphene, and P-doped functionalized graphene materials exhibit the best CO2 separation performance. The influence of pore size on CO2 adsorption selectivity depends on pressure, with 0.8 nm pore size showing the highest selectivity at low pressures.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Environmental
Yang Guo, Changqing Su, Hongyu Chen, Jinxian Wang, Baogen Liu, Zheng Zeng, Liqing Li
Summary: In this study, benzimidazole-derived porous carbons (BICs) with controllable pore size and oxygen/nitrogen heteroatoms were synthesized. The tunable pore size distribution of BICs makes them highly efficient for the adsorption and separation of volatile organic compounds (VOCs). Experimental results showed that BIC-3-900 had a dominant pore size distribution of 3.0-4.0 nm, leading to high adsorption capacities for benzene and methanol. BIC-1-700, dominated by micropores, exhibited a favorable adsorption capacity for low-concentration small molecule VOCs.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Christoph Buttersack
Summary: This article introduces a method for modifying the recently published General Cluster Sorption Isotherm by calculating the ratio of infinitesimal contributions of adsorption in different directions. The method is applied to experimental data and compared with previous versions, discussing surface areas obtained by different methods.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Energy & Fuels
Qingchun Li, Wenjun Xu, Xin Liang, Baogen Liu, Qingding Wu, Zheng Zeng, Liqing Li, Xiancheng Ma
Summary: This study investigates the effects of different pore widths and M-doping (M = O, N, S, and alkali metal) on CO2 uptake using density functional theory and grand canonical Monte Carlo simulation. The results show that alkali metal doping in graphite surfaces with pore widths less than 0.6 nm significantly improves CO2 uptake and CO2/N-2 selectivity.
Article
Food Science & Technology
Yu Larpin, Herve Besancon, Victoriia S. Babiychuk, Eduard B. Babiychuk, Rene Koffel
Summary: The research findings demonstrate that small pore-forming toxins, such as lysenin and aerolysin, have different effects on cells, with lysenin causing calcium influx and activating membrane repair mechanisms, while aerolysin does not. Cell resistance is influenced by factors such as binding efficiency, pore localization, and the activation of membrane repair mechanisms.
Article
Geosciences, Multidisciplinary
Guanmin Wang, Rui Zhu, Xueying Zheng, Jin Hu, Zhao Wang, Xiaoming Shi
Summary: The lower part of the Yanchang Formation in the Wuqi-Ansai area is characterized by low porosity and permeability. Various types of pores were identified in the reservoirs, with mold pores playing a significant role in the densification process. This study provides insights into the formation mechanisms of different pore types in the reservoirs.
MARINE AND PETROLEUM GEOLOGY
(2021)
Article
Geosciences, Multidisciplinary
Zhengyi Cang, Xuanlong Shan, Jian Yi, Qingyou Yue, Chuan Xu, Xintong Zou, Xianjun Ren, Jiaoyan Han
Summary: Fractal theory is an efficient method for studying the pore structures of volcanic rocks, and by quantitatively characterizing the distribution of nanoscale pores and calculating fractal dimensions, different types of pore distribution models can be established. The study found that volcanic reservoirs contain various types of nanoscale pores, with wedge-shaped pores and slit pores being the dominant morphological characteristics.
NATURAL RESOURCES RESEARCH
(2021)
Article
Energy & Fuels
Yingfeng Xie, Jing'an Lu, Huimin Cai, Wei Deng, Zenggui Kuang, Tong Wang, Dongju Kang, Chaoqi Zhu
Summary: By analyzing pore structure and hydrate formation properties using nuclear magnetic resonance (NMR) measurements, it was found that hydrates mainly form in meso-pores and micro-pores, with hydrate saturation exceeding 30%.
Article
Chemistry, Multidisciplinary
Igor K. Petrushenko
Summary: This study investigated the adsorption of hydrogen in simulated carbon micropores using quantum chemistry methods. It was found that hydrogen molecules form one or two layers of adsorption depending on the pore size, and dispersion interactions were the dominant contribution to the attractive energy. The significance of dispersion interactions decreased with an increase in the number of adsorbed hydrogen molecules, while the contribution of electrostatic and induction interactions increased. The findings provide valuable insights for the use of carbon porous structures in hydrogen storage.
IZVESTIYA VUZOV-PRIKLADNAYA KHIMIYA I BIOTEKHNOLOGIYA
(2022)
Article
Materials Science, Ceramics
Hirotoshi Iuchi, Toshihide Horikawa
Summary: In this study, ATO fibers were synthesized using a one-step calcination method with RF resin as the precursor, which effectively controlled the morphology and crystal structure of the fibers.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Physical
Toshihide Horikawa, Miku Okamoto, Ayaka Kuroki-Matsumoto, Ken Yoshida
Summary: This study presents a predictive tool for describing Pb2+ adsorption on activated carbon (AC) and validates it through experiments. The tool can predict the amount of Pb2+ adsorption within 10% of accuracy, and molecular dynamic simulations reveal the role of counter anions in influencing the configuration and adsorption of Pb2+ ions. It is found that NO3- enhances the adsorption of Pb2+ due to its strong attraction to the surface of graphite, while Cl- does not show significant adsorption. This mechanism provides new insights into the complex phenomena of ion adsorption onto activated carbon.
Article
Energy & Fuels
D. Capkova, T. Kazda, O. Cech, N. Kiraly, T. Zelenka, P. Cudek, A. Sharma, V. Hornebecq, M. Almasi, A. Strakova Fedorkova
Summary: Carbon materials improve the performance of lithium-sulphur batteries, while metal-organic frameworks confine polysulphides and restrain the shuttle effect.
JOURNAL OF ENERGY STORAGE
(2022)
Article
Agricultural Engineering
Arjeta Kryeziu, Vaclav Slovak, Julien Parmentier, Tomas Zelenka, Severinne Rigolet
Summary: A simple and environmentally friendly method for transforming cellulose into porous carbon monoliths was developed. The method involves freezing the cellulose solution, followed by ethanol regeneration and water washing. The resulting cellulose monoliths exhibit significant macroporosity and microporosity.
INDUSTRIAL CROPS AND PRODUCTS
(2022)
Article
Multidisciplinary Sciences
Tomas Zelenka, Klaudia Simanova, Robin Saini, Gabriela Zelenkova, Satya Pal Nehra, Anshu Sharma, Miroslav Almasi
Summary: The present article studied the influence of post-synthetic modification with ethylenediamine (en, diamine) and diethylenetriamine (deta, triamine) within the coordinatively unsaturated sites (CUSs) of HKUST-1 on carbon dioxide and hydrogen storage. The results showed that the modified samples exhibited high adsorption capacities for carbon dioxide and hydrogen, with deta-modified samples showing higher adsorption amounts compared to en-modified materials.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Physical
Eva Kinnertova, Vaclav Slovak, Tomas Zelenka, Cyril Vaulot, Luc Delmotte
Summary: The porosity of differently wetted carbonaceous material with disordered mesoporosity was investigated using low-field H-1 NMR relaxometry. A non-linear optimization method was used to convert relaxation curves to the distribution of relaxation times. It was found that up to five different relaxation times were sufficient to describe the observed relaxation, corresponding to different types of hydrogen nuclei in the sample.
Article
Chemistry, Multidisciplinary
Gabriela Zelenkova, Tomas Zelenka, Miroslav Almasi, Michala Soldanova
Summary: This study investigated the synthesis of hierarchically porous carbon monoliths doped with graphene oxide for H-2 and CO2 sorption applications. By adjusting the synthesis procedure and carbonization temperature, the degree of reduction of graphene oxide and its incorporation into the matrix were characterized. The addition of 10% graphene oxide at a pyrolysis temperature of 900 degrees C resulted in a promising material with high adsorption capacities for H-2 and CO2.
JOURNAL OF CO2 UTILIZATION
(2023)
Article
Chemistry, Multidisciplinary
Nikolas Kiraly, Dominika Capkova, Robert Gyepes, Nikola Vargova, Tomas Kazda, Jozef Bednarcik, Daria Yudina, Tomas Zelenka, Pavel Cudek, Vladimir Zelenak, Anshu Sharma, Vera Meynen, Virginie Hornebecq, Andrea Strakova Fedorkova, Miroslav Almasi
Summary: Two new alkaline earth metal-organic frameworks, UPJS-15 and UPJS-16, were synthesized and characterized. UPJS-15 exhibited one-dimensional channels with a size of approximately 11 x 10 angstrom(2) and showed high adsorption capacity for CO2. UPJS-16, on the other hand, did not show significant adsorption for the tested gases.
Article
Chemistry, Physical
Lucie Korena, Vaclav Slovak, Gabriela Zelenkova, Tomas Zelenka
Summary: The effects of porosity and particle size on carbon surface oxidation were investigated. Carbon xerogels with different porosity and particle size were prepared and characterized. Isothermal thermogravimetry experiments showed that particle size and porosity significantly influence diffusion and heat transfer during carbon oxidation. The apparent kinetic parameters were determined, and it was found that porosity and particle size do not affect the basic chemical reactions occurring on the carbon surface during oxidation.
Article
Chemistry, Physical
Quang K. Loi, Krittamet Phothong, Ryuto Yuasa, Toshihide Horikawa, D. D. Do
Summary: The adsorption mechanism of ethanol on graphite was comprehensively investigated using experimental measurements and computer simulation. The study highlights the unique interplay of clustering and molecular layering of ethanol. Ethanol exhibits intermediate characteristics between simple gases and water during adsorption. The mechanism of ethanol adsorption involves the formation and growth of discrete clusters, predominantly in the form of tetramers and pentamers, followed by the coalescence of growing clusters. The interplay of clustering and coalescence depends on temperature.
Article
Chemistry, Multidisciplinary
Nikolas Kiraly, Vladimir Zelenak, Tomas Zelenka, Miroslav Almasi, Juraj Kuchar
Summary: A novel holmium-based porous metal-porphyrin framework (UPJS-17) with a three-dimensional open structure was synthesised by hydrothermal reaction. The compound exhibited adsorption capacity for Ar, CO2, and H2, but not for N2. The highest CO2 adsorption capacity of 7.0 wt % was observed at 0 degrees C, with an isosteric heat of 56.5 kJmol(-1). The hydrogen uptake of UPJS-17 at -196 degrees C and 1 bar was found to be 2.1 wt %.
Meeting Abstract
Chemistry, Physical
Hirotomo Nishihara, Hong-Wei Zhao, Kazuya Kanamaru, Keita Nomura, Mao Ohwada, Masashi Ito, Li-Xiang Li, Bai-Gang An, Toshihide Horikawa, Takashi Kyotani
Article
Chemistry, Physical
Quang K. Loi, Toshihide Horikawa, D. D. Do, D. Nicholson
Summary: Experimental isotherms for argon and nitrogen adsorption on two non-graphitized carbon substrates, Carbopack B and Cabot BP280, do not obey Henry's Law in the accessible pressure range. The adsorbate density at the bulk coexistence pressure for Cabot BP280 is lower than Carbopack B, which is slightly lower than Carbopack F, indicating a long-range effect of surface structure on the accumulation of higher layers in non-graphitized carbon blacks.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
