Article
Water Resources
Baole Wen, Zhuofan Shi, Kristian Jessen, Marc A. Hesse, Theodore T. Tsotsis
Summary: The research combined modeling and measurements to investigate the dynamics of convective carbon dioxide dissolution in different pressure and conditions, revealing that their models could quantitatively predict this process.
ADVANCES IN WATER RESOURCES
(2021)
Article
Thermodynamics
Federico Cao, Dmitry Eskin, Yuri Leonenko
Summary: Carbon dioxide sequestration is an effective technology for mitigating greenhouse gas emissions, but uncertainties regarding the risks of leakage remain. Increasing underground disposal security by dissolving CO2 in brine and re-injecting it underground can prevent leaks. This technique can expand the availability of worldwide aquifers for carbon sequestration.
Article
Thermodynamics
Hung Vo Thanh, Kang-Kun Lee
Summary: This paper investigates the prediction of CO2 trapping efficiency in deep saline formations using machine learning models including Gaussian process regression (GPR), support vector machine (SVM), and random forest (RF). The results highlight the effectiveness of the GPR model in accurately estimating CO2 trapping performance and achieving good agreement with field observations.
Review
Energy & Fuels
Qi Liu, Marcelo D. Benitez, Zhao Xia, J. Carlos Santamarina
Summary: Injecting CO2 into geological formations triggers complex processes involving temperature, water, chemistry, and mechanics. The CO2-water interface experiences pinning onto mineral surfaces, and CO2 dissolution in water leads to mineral dissolution, increasing porosity and permeability. Convective currents and periodic precipitation bands may also occur. Adequate seal rocks are necessary for CO2 geological storage to withstand excess capillary pressure without causing discontinuities. CO2 injection into depleted oil reservoirs has additional benefits such as oil recovery through swelling, destabilization, viscosity reduction, and displacement.
FRONTIERS IN ENERGY RESEARCH
(2022)
Article
Energy & Fuels
D. W. Jayasekara, P. G. Ranjith
Summary: The study shows that after injecting CO2, the mineralogical and mechanical behavior of caprock with different saturation levels changes, leading to an increase in porosity and flow paths. Special attention is needed on a caprock layer fully saturated with a CO2-brine mixture, as it increases the risk of CO2 migration.
Article
Physics, Fluids & Plasmas
Christophe Brouzet, Yves Meheust, Patrice Meunier
Summary: This study investigates the storage of carbon dioxide (CO2) in deep saline aquifers and the resulting convective dissolution instability. Experimental results show a significant discrepancy between the measured growth rate of the instability and theoretical predictions, with the measured rate being one to three orders of magnitude larger. The study suggests that accounting for sub-Darcy-scale flow heterogeneities may be necessary to accurately predict convective dissolution during CO2 subsurface sequestration.
PHYSICAL REVIEW FLUIDS
(2022)
Article
Energy & Fuels
Yong Yuan, Jianqiang Wang, Jianwen Chen, Ke Cao, Jie Liang, Tianyu Lan, Dongyu Lu, Xudong Guo
Summary: Underwater reservoirs in the South Yellow Sea Basin (SYSB), China, provide favorable geological conditions for carbon dioxide (CO2) storage, as determined by the USDOE calculation method and a formation volume model. The Cenozoic saline aquifers in the SYSB have a significant storage capacity of CO2, ranging from 39.59 Gt to 426.94 Gt, which can meet the carbon sequestration needs of Shandong and Jiangsu Provinces for approximately 89 years.
Article
Energy & Fuels
Jiazheng Qin, Qianhu Zhong, Yong Tang, Zhenhua Rui, Shuai Qiu, Haoyu Chen
Summary: The application of Saline Aquifer CO2 Storage (SACS) projects in offshore saline aquifers in China shows promising potential in terms of technical and economic viability. However, the storage capacities determined by different methods vary significantly. The CO2BLOCK method seems to provide more reasonable results and further confirms the immense potential of industrial-scale pilot and demonstration CO2 storage projects in offshore deep saline aquifers in China.
Article
Green & Sustainable Science & Technology
Seyed Mostafa Jafari Raad, Yuri Leonenko, Hassan Hassanzadeh
Summary: Hydrogen is an essential part of future decarbonized and sustainable energy systems, playing a significant role in energy security, affordability, and decarbonization. Aquifers are economically attractive and environmentally friendly options for geological hydrogen storage. It is crucial to select suitable storage sites and understand the mechanisms controlling subsurface hydrogen transport properties. Additionally, a dynamic regulatory framework and participation strategy are needed for large-scale aquifer storage, ensuring safety and efficiency.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2022)
Article
Green & Sustainable Science & Technology
Donatus Ephraim Edem, Muhammad Kabir Abba, Amir Nourian, Meisam Babaie, Zainab Naeem
Summary: This study investigates the effect of salt concentration on CO2 storage and finds that high salt concentration reduces porosity and permeability, leading to salt precipitation. However, within a certain range of salt concentration, significant CO2 sequestration can be achieved.
Article
Chemistry, Physical
N. Heinemann, J. Scafidi, G. Pickup, E. M. Thaysen, A. Hassanpouryouzband, M. Wilkinson, A. K. Satterley, M. G. Booth, K. Edlmann, R. S. Haszeldine
Summary: Hydrogen storage in porous rocks can help mitigate the drawbacks of intermittent renewable energy sources. This study focuses on the injection, storage, and production of hydrogen in a saline aquifer anticline, with cushion gas playing an important role. The volume of cushion gas directly impacts the injection and production performance of working gas.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Energy & Fuels
Hung Vo Thanh, Qamar Yasin, Watheq J. Al-Mudhafar, Kang-Kun Lee
Summary: In this study, machine learning models were developed to predict the efficiency of carbon dioxide sequestration in saline formations, and the XGBoost model achieved the highest accuracy. This research provides a valuable and viable template for predicting the CO2 trapping index in other saline formations and can be used as a tool for assessing the uncertainty of carbon storage projects.
Article
Green & Sustainable Science & Technology
Panagiotis Karvounis, Martin J. Blunt
Summary: This study analyzed potential CO2 storage sites in the North Sea to estimate available storage capacity. The results showed tremendous potential for CO2 storage to play a significant role in averting a temperature increase of more than 1.5 degrees C in Europe.
INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
(2021)
Article
Engineering, Chemical
Anna-Maria Eckel, Rebecca Liyanage, Takeshi Kurotori, Ronny Pini
Summary: Dissolution trapping is an important mechanism for carbon dioxide storage in deep saline aquifers. Previous experiments mainly focused on 2D systems and did not reflect the subsurface CO2/brine system accurately. In this study, we use X-ray computed tomography to investigate the evolution of the convective mixing process in 3D porous media and observe the impact of hydrodynamic dispersion on longitudinal mixing. Our findings suggest that the finger pattern and counter-current flow structure enhance the spread of solute compared to unidirectional dispersion.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Environmental Sciences
Sijia Wang, Zucheng Cheng, Yi Zhang, Lanlan Jiang, Yu Liu, Yongchen Song
Summary: Density-driven convection mixing enhances CO2 trapping in deep saline aquifers storage. Fingering instability and mass transfer caused by convection mixing were investigated using MRI in porous media with varying permeability. The dissolution rate characterized by Sherwood number was found to be independent of local convection dissolution in heterogeneous porous media, promoting CO2 dissolution in carbon storage.
WATER RESOURCES RESEARCH
(2021)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)