The presence of clay coatings on the surfaces of quartz grains can play a pivotal role in determining the porosity and permeability of sandstone reservoirs,thus directly impacting their reservoir quality.This study em...The presence of clay coatings on the surfaces of quartz grains can play a pivotal role in determining the porosity and permeability of sandstone reservoirs,thus directly impacting their reservoir quality.This study employs a multiphase-field model of syntaxial quartz cementation to explore the effects of clay coatings on quartz cement volumes,porosity,permeability,and their interrelations in sandstone formations.To generate various patterns of clay coatings on quartz grains within three-dimensional(3D)digital sandstone grain packs,a pre-processing toolchain is developed.Through numerical simulation experiments involving syntaxial overgrowth cementation on both single crystals and multigrain packs,the main coating parameters controlling quartz cement volume are elucidated.Such parameters include the growth of exposed pyramidal faces,lateral encasement,coating coverage,and coating pattern,etc.The coating pattern has a remarkable impact on cementation,with the layered coatings corresponding to fast cement growth rates.The coating coverage is positively correlated with the porosity and permeability of sandstone.The cement growth rate of quartz crystals is the lowest in the vertical orientation,and in the middle to late stages of evolution,it is faster in the diagonal orientation than in the horizontal orientation.Through comparing the simulated results of dynamic evolution process with the actual features,it is found that the simulated coating patterns after 20 d and 40 d show clear similarities with natural samples,proving the validity of the proposed three-dimensional numerical modeling of coatings.The methodology and findings presented contribute to improved reservoir characterization and predictive modeling of sandstone formations.展开更多
Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi_(1-x-y)Co_(x)Mn_(y)O_(2)(NCM)cathode,but the enlarged Li/Ni cation mixing leads to the infe...Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi_(1-x-y)Co_(x)Mn_(y)O_(2)(NCM)cathode,but the enlarged Li/Ni cation mixing leads to the inferior rate capability originating from the hindered Li~+migration.Note that the non-magnetic Ti~(4+)ion can suppress Li/Ni disorder by removing the magnetic frustration in the transition metal layer.However,it is still challenging to directionally design expected Ta/Ti dual-modification,resulting from the complexity of the elemental distribution and the uncertainty of in-situ formed coating compounds by introducing foreign elements.Herein,a LiTaO_3 grain boundary(GB)coating and bulk Ti-doping have been successfully achieved in LiNi_(0.834)Co_(0.11)Mn_(0.056)O_(2) cathode by thermodynamic guidance,in which the structural formation energy and interfacial binding energy are employed to predict the elemental diffusion discrepancy and thermodynamically stable coating compounds.Thanks to the coupling effect of strengthened structural/interfacial stability and improved Li~+diffusion kinetics by simultaneous bulk/GB engineering,the Ta/Ti-NCM cathode exhibits outstanding capacity retention,reaching 91.1%after 400 cycles at 1 C.This elaborate work contributes valuable insights into rational dual-modification engineering from a thermodynamic perspective for maximizing the electrochemical performances of NCM cathodes.展开更多
As a special sedimentary grain type, the coated grain(with an ooid model) has been known for two centuries due to its fascinating special fabric and genesis developments. The leading factors in forming the coated grai...As a special sedimentary grain type, the coated grain(with an ooid model) has been known for two centuries due to its fascinating special fabric and genesis developments. The leading factors in forming the coated grain consist mainly of:(1) microorganism movement field;(2) chemical sedimentary effect;(3) hydrodynamic force environment and topography condition;(4) abundant core material supply;(5) embedding condition; and(6) humic acids condition in water medium. With the development of the coated grain genesis, the single factor theory cannot reasonably explain the exact formation of the surface sediment of coated grain. Here, we find a new way to study the coated grain on the basis of traditional research methods. The Wenquan area on the northeast edge of the Qiangtang Basin is one of the few areas where the coated grain is developing, and is a rare "natural laboratory" for the study of the coated grain and the thermal spring sediment. The oolitic sinter of the area has the triaxiality modality of pea polymer, and is obviously different from the karst travertine and the normal lacustrine ooid. We found that the hot spring water in the Wenquan area has higher partial pressure of CO2(PCO2) and saturation index of the calcite(SIc) than normal. Macrocosmically, the oolitic sinter is shaped like a pea, and its grains and gap fillings are light yellow. Microcosmically, the sinter grain forms six types of fundamental lamina, and those six types are developed to be four grain types with different combinations. The C-axis of the mineral grain of sinter cement(calcite) is normal to the lamina face, and grows on it with distinct generation formations. In short, the grain type of oolitic sinter is the oncoid, with the grain development caused by the factors such as the shallow water of strong hydrodynamic force, the special hydrochemistry condition, and the extensive algae activities(diatom).展开更多
基金the Helmholtz association for funding the main parts of the modeling and simulation research work under the program“MTET:38.04.04”。
文摘The presence of clay coatings on the surfaces of quartz grains can play a pivotal role in determining the porosity and permeability of sandstone reservoirs,thus directly impacting their reservoir quality.This study employs a multiphase-field model of syntaxial quartz cementation to explore the effects of clay coatings on quartz cement volumes,porosity,permeability,and their interrelations in sandstone formations.To generate various patterns of clay coatings on quartz grains within three-dimensional(3D)digital sandstone grain packs,a pre-processing toolchain is developed.Through numerical simulation experiments involving syntaxial overgrowth cementation on both single crystals and multigrain packs,the main coating parameters controlling quartz cement volume are elucidated.Such parameters include the growth of exposed pyramidal faces,lateral encasement,coating coverage,and coating pattern,etc.The coating pattern has a remarkable impact on cementation,with the layered coatings corresponding to fast cement growth rates.The coating coverage is positively correlated with the porosity and permeability of sandstone.The cement growth rate of quartz crystals is the lowest in the vertical orientation,and in the middle to late stages of evolution,it is faster in the diagonal orientation than in the horizontal orientation.Through comparing the simulated results of dynamic evolution process with the actual features,it is found that the simulated coating patterns after 20 d and 40 d show clear similarities with natural samples,proving the validity of the proposed three-dimensional numerical modeling of coatings.The methodology and findings presented contribute to improved reservoir characterization and predictive modeling of sandstone formations.
基金supported by the National Natural Science Foundation of China (52374299,52304320 and 52204306)the Outstanding Youth Foundation of Hunan Province (2023JJ10044)+1 种基金the Key Project of Hunan Provincial Department of Education (22A0211)the Natural Science Foundation of Hunan Province (2023JJ40014)。
文摘Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi_(1-x-y)Co_(x)Mn_(y)O_(2)(NCM)cathode,but the enlarged Li/Ni cation mixing leads to the inferior rate capability originating from the hindered Li~+migration.Note that the non-magnetic Ti~(4+)ion can suppress Li/Ni disorder by removing the magnetic frustration in the transition metal layer.However,it is still challenging to directionally design expected Ta/Ti dual-modification,resulting from the complexity of the elemental distribution and the uncertainty of in-situ formed coating compounds by introducing foreign elements.Herein,a LiTaO_3 grain boundary(GB)coating and bulk Ti-doping have been successfully achieved in LiNi_(0.834)Co_(0.11)Mn_(0.056)O_(2) cathode by thermodynamic guidance,in which the structural formation energy and interfacial binding energy are employed to predict the elemental diffusion discrepancy and thermodynamically stable coating compounds.Thanks to the coupling effect of strengthened structural/interfacial stability and improved Li~+diffusion kinetics by simultaneous bulk/GB engineering,the Ta/Ti-NCM cathode exhibits outstanding capacity retention,reaching 91.1%after 400 cycles at 1 C.This elaborate work contributes valuable insights into rational dual-modification engineering from a thermodynamic perspective for maximizing the electrochemical performances of NCM cathodes.
基金supported by the National Natural Science Foundation of China (Grant Nos. 40972084 and 41102060)
文摘As a special sedimentary grain type, the coated grain(with an ooid model) has been known for two centuries due to its fascinating special fabric and genesis developments. The leading factors in forming the coated grain consist mainly of:(1) microorganism movement field;(2) chemical sedimentary effect;(3) hydrodynamic force environment and topography condition;(4) abundant core material supply;(5) embedding condition; and(6) humic acids condition in water medium. With the development of the coated grain genesis, the single factor theory cannot reasonably explain the exact formation of the surface sediment of coated grain. Here, we find a new way to study the coated grain on the basis of traditional research methods. The Wenquan area on the northeast edge of the Qiangtang Basin is one of the few areas where the coated grain is developing, and is a rare "natural laboratory" for the study of the coated grain and the thermal spring sediment. The oolitic sinter of the area has the triaxiality modality of pea polymer, and is obviously different from the karst travertine and the normal lacustrine ooid. We found that the hot spring water in the Wenquan area has higher partial pressure of CO2(PCO2) and saturation index of the calcite(SIc) than normal. Macrocosmically, the oolitic sinter is shaped like a pea, and its grains and gap fillings are light yellow. Microcosmically, the sinter grain forms six types of fundamental lamina, and those six types are developed to be four grain types with different combinations. The C-axis of the mineral grain of sinter cement(calcite) is normal to the lamina face, and grows on it with distinct generation formations. In short, the grain type of oolitic sinter is the oncoid, with the grain development caused by the factors such as the shallow water of strong hydrodynamic force, the special hydrochemistry condition, and the extensive algae activities(diatom).
