Article
Energy & Fuels
Jian Wu, Pengyu Huang, Federico Maggi, Luming Shen
Summary: This study investigates the effect of kerogen deformation on methane transport through simulation, and finds that sorption-induced swelling significantly reduces methane mass flux. Additionally, the study also shows that the influence of diffusion and viscous flow changes with different pressures.
Article
Energy & Fuels
Jingru Zhang, Yi Zhang, Lei Yuan, Mingkun Chen, Yongchen Song
Summary: The study focused on the dynamic adsorption properties of CO2 in the organic pore of shale, with findings showing that larger pore sizes are more conducive to practical adsorption and storage. Increasing pressure was found to improve adsorption rate and stability, revealing a mechanism for dynamic adsorption under high pressure that could be beneficial for practical applications.
Article
Energy & Fuels
Chenghao Wang, Yuanping Cheng, Liang Wang, Jingyu Jiang, Zhaonan Jiang
Summary: This study established a new method to characterize the seepage pore size distribution under different effective stress conditions. The results showed that the volume reduction of seepage pores presents a logarithmic growth with the increase of confining stress. The size of seepage pores generally ranges from 0.1 to 1.0 mu m, and the volume of seepage pores with sizes ranging from 0.1 to 0.5 mu m always accounts for more than 80% of the total seepage pore volume.
Article
Energy & Fuels
Jingyue Sun, Zherui Chen, Xi Wang, Yue Zhang, Yan Qin, Cong Chen, Weizhong Li, Wenning Zhou
Summary: Studying the initial period of CO2-CH4 displacement behavior is crucial for understanding CO2-enhanced shale gas recovery technology. A CO2-CH4 displacement model was developed based on a heterogeneous surface pore, and molecular dynamics simulations were conducted to investigate the effects of depressurization exploitation and injection pressure on displacement behavior. The study found that the displacement process starts with CH4 reverse flow, followed by the injection pressure action stage and positive displacement stage. The extent of CH4 reverse flow significantly affects the system development process and final displacement efficiency. It is important to decrease reservoir pressure during depressurization exploitation and consider displacement efficiency, reservoir safety, and economic cost when selecting CO2 injection pressure. Furthermore, CO2 occupies adsorption sites near graphene faster, while CH4 desorption is faster near montmorillonite (MMT), emphasizing the importance of considering the characteristics of different materials in the displacement process.
Article
Geosciences, Multidisciplinary
Xianglong Fang, Dameng Liu, Yingfang Zhou, Xiaobo Liu, Yidong Cai
Summary: A systematic study was done to understand methane diffusion behavior in different rank coals. The pore structure of coals exhibited a multimodal pore size and volume distribution. Factors affecting methane diffusion in coals were analyzed, and their importance ranking was determined using gray relational analysis.
FRONTIERS OF EARTH SCIENCE
(2023)
Article
Polymer Science
Roujin Ghaffari, Henrik Almqvist, Robin Nilsson, Gunnar Liden, Anette Larsson
Summary: This study investigated the diffusion of kraft lignin molecules through model cellulose membranes of varying pore sizes. The results showed that small pore sizes enable the diffusion of small molecules while hindering the transport of larger molecules or clusters. This study provides important insights into the mass transfer events in pulping processes.
Article
Chemistry, Physical
Noura Dawass, Manolis Vasileiadis, Loukas D. Peristeras, Konstantinos D. Papavasileiou, Ioannis G. Economou
Summary: Shale gas production is a rapidly growing sector in the oil and gas industry, and accurate prediction of its adsorption and transport is crucial for estimating production capacity. This study used molecular simulations to investigate the adsorption and diffusion of methane, ethane, and shale gas in a composite pore model representing heterogeneous shale formations. The addition of an inner slit pore significantly increased the adsorption of methane, and the saturation of the composite pore with methane occurred at a higher pressure than ethane. Carbon dioxide adsorption was not strongly affected by pressure, and its affinity to kerogen micropores was observed in all conditions. Diffusion coefficients were found to increase with the width of the empty slab inside the composite pore. The results provide insights into the adsorption mechanisms occurring inside the pore.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Stian Almenningen, Maksim Lysyy, Geir Ersland
Summary: This study investigated the growth pattern and rate of CH4 hydrate in sandstone pores using a high-pressure micromodel. CH4 hydrate predominantly formed and grew along the gas-water interface, with different growth rates identified in different directions. The results can be used as input for numerical models simulating pore-scale CH4 hydrate growth behavior.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Energy & Fuels
Shuji Tamamura, Takuma Murakami, Akio Ueno, Satoshi Tamazawa, Tamotsu Kiyama, Hidenori Inomata, Hiroyuki Matsumoto, Kagemi Uchida, Yoshiaki Suzuki, Jun Aizawa, Katsuhiko Kaneko
Summary: Isotopic analysis of rocks and sedimentary rocks from the Kushiro Coal Mine in Japan reveals the presence of thermogenic methane in some closed pores.
INTERNATIONAL JOURNAL OF COAL GEOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Shaofei Wu, Yong Ni, Yi Han, Xudong Hou, Congyong Wang, Wenping Hu, Jishan Wu
Summary: In this study, a facilely synthesized molecular cage containing bridged triphenylamine units and quinoidal bithiophene arms was examined. The results demonstrated different aromatic properties of the cage in different oxidation states, providing further insight into the relationship between 2D Hückel/Baird aromaticity and 3D global π-aromaticity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Nanoscience & Nanotechnology
Mengyuan Wu, Xiaobin Jiang, Yingshuang Meng, Yuchao Niu, Zhijie Yuan, Shaofu Du, Xiangcun Li, Xuehua Ruan, Wu Xiao, Xiaoming Yan, Gaohong He
Summary: A novel COF membrane with unique pore structures was proposed for the regulation of confined reactive crystallization, leading to the selective construction of CaCO3 superstructures. The COF membrane, with micro-nanostructures, successfully screened the directional preparation conditions for diverse CaCO3 superstructures.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Mechanics
Qingwang Yuan, Bowen Ling, Saman A. Aryana
Summary: This article investigates the influence of non-negligible dead-end pores and a limited mass transfer rate between two pore types on fingering dynamics. A new stabilizing mechanism is identified, and a scaling analysis and analysis of interfacial lengths accurately predict the boundaries of the flow regimes.
Article
Chemistry, Multidisciplinary
Qiao Wang, Zhaofeng Wang, Jiwei Yue, Fenghua An, Jiaxin Dong, Wei Ke
Summary: This study investigates the temperature variation during coring in coal mines through numerical simulations and field measurements. It reveals that the temperature of the core tube wall undergoes four stages of change and the maximum temperature increases with the depth of the core.
Article
Chemistry, Organic
Thondikkal Sulfikarali, Govind Behera, Jayaprakash Ajay, Shigeki Mori, Akhil Chakravarthy Kakarlamudi, Sivaranjana Reddy Vennapusa, Sabapathi Gokulnath
Summary: 1,4-Phenylene-linked cyclotrimer and cyclotetramer were synthesized via Lewis acid-catalyzed self-condensation, disrupting annulenic conjugation and preventing global antiaromaticity. The single crystal X-ray structure of cyclotetramer shows a near-planar and square-shaped geometry with all nitrogens pointing toward the macrocyclic core, in contrast to the ring-strained conformation of cyclotrimer.
Article
Engineering, Chemical
M. A. Komkova, I. S. Sadilov, V. A. Brotsman, D. I. Petukhov, A. A. Eliseev
Summary: This study reports on tunable ammonia transport through ultrathin PB membranes facilitated with a protonic carrier. The membranes show fast ammonium transport and excellent NH3/H-2 selectivity. Conversion to NH4+ maintains the electroactivity of the selective layer and can be reversibly tuned by electrochemical framework loading.
JOURNAL OF MEMBRANE SCIENCE
(2021)
Article
Chemistry, Physical
Shuang Kong, Tianmin Wu, Wei Zhuang, Peng Jiang, Xinhe Bao
JOURNAL OF PHYSICAL CHEMISTRY B
(2018)
Article
Chemistry, Physical
Xia Zhang, Lu Zhang, Tan Jin, Qiang Zhang, Wei Zhuang
Article
Physics, Atomic, Molecular & Chemical
Qiang Zhang, Yang Du, Chen Chen, Wei Zhuang
CHINESE JOURNAL OF CHEMICAL PHYSICS
(2018)
Article
Chemistry, Physical
Hugh Sowley, ZhiQiang Liu, Julia Davies, Robert Peach, Rui Guo, Sophie Sim, FengQin Long, Geoffrey Holdgate, Keith Willison, Wei Zhuang, David R. Klug
JOURNAL OF PHYSICAL CHEMISTRY B
(2019)
Article
Biochemistry & Molecular Biology
Fengqin Long, Zheng Chen, Keli Han, Lu Zhang, Wei Zhuang
Article
Chemistry, Physical
Hanhui You, Dongshuang Wu, Zhe-ning Chen, Fanfei Sun, Hao Zhang, Zhenhua Chen, Minna Cao, Wei Zhuang, Rong Cao
ACS ENERGY LETTERS
(2019)
Article
Chemistry, Multidisciplinary
Shuai Chen, Zhe-Ning Chen, Wei-Hui Fang, Wei Zhuang, Lei Zhang, Jian Zhang
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2019)
Article
Chemistry, Physical
TianMin Wu, Xian Chen, Hua Xie, ZheNing Chen, Lu Zhang, ZhiJun Pan, Wei Zhuang
Article
Chemistry, Physical
Xia Zhang, Zhangtao Wang, Zhening Chen, Hui Li, Lu Zhang, Jinting Ye, Qiang Zhang, Wei Zhuang
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Article
Chemistry, Multidisciplinary
Li Wang, Jia Zhang, Ming-Jie Han, Lu Zhang, Chao Chen, Aiping Huang, Ruipei Xie, Guosheng Wang, Jiangrui Zhu, Yuchuan Wang, Xiaohong Liu, Wei Zhuang, Yunliang Li, Jiangyun Wang
Summary: The genetic incorporation of a novel 2D-IR probe, N3Y, in the active site of DddK enzyme demonstrates potential application in investigating enzyme dynamics. Results indicate that oxidation of active-site iron to Fe-III and addition of denaturation reagents result in significant decrease in enzyme activity and active-site water motion confinement, highlighting the importance of tyrosine residues in enzyme function.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Huimin Wang, Zhe-Ning Chen, Dongshuang Wu, Minna Cao, Fanfei Sun, Hao Zhang, Hanhui You, Wei Zhuang, Rong Cao
Summary: Efficient bifunctional electrocatalysts are crucial for overall water splitting in acidic conditions. The core-shell nanoparticles (Au@AuIr2) synthesized in this study showed significantly enhanced OER and HER catalytic properties, achieving high activity and stability in overall water splitting cell. The electronic interaction between Au and Ir on partially oxidized surfaces likely plays a key role in improving catalytic performance.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Fengqin Long, Hua Xie, Wei Zhuang
Summary: The EVV 2DIR technique can effectively distinguish the spectral signatures between trans- and cis-MCA, and further analysis on the contribution of vibration mode pairs to characteristic cross-peaks has been conducted. This provides a method for in situ detection of concentration ratio of each species in reversible reaction processes.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Zhijun Pan, Jing Huang, Wei Zhuang
Summary: Fast picosecond motions in biochemical processes, such as protein-ligand binding, have attracted significant attention. Terahertz optical Kerr spectroscopy (OKE) shows potential to directly probe these fast motions. However, challenges in quantitative atomistic interpretation and lack of consistent polarizable model have limited OKE application in protein-ligand binding studies. The study introduces a new Drude polarizable model for OKE simulations, offering insights into the biochemical relevance of OKE in analyzing protein-ligand interactions.
Article
Chemistry, Physical
Yonghui Zeng, Yunzhe Jia, Tianying Yan, Wei Zhuang
Summary: Ion-specific effects on the hydrogen bond structure and dynamics in hydration shells show a binary pattern, with the HD bonds being strengthened and the HA bonds being weakened. This effect is correlated with the ion size, valence, and is more pronounced for strong kosmotropic ions with high charge density.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Hua Xie, Shenghao Fang, He Zhao, Xiaoliang Xu, Ning Ye, Wei Zhuang