Electricity-driven water splitting to produce hydrogen is one of the most efficient ways to alleviate energy crisis and environmental pollution problems,in which the anodic oxygen evolution reaction(OER)is the key hal...Electricity-driven water splitting to produce hydrogen is one of the most efficient ways to alleviate energy crisis and environmental pollution problems,in which the anodic oxygen evolution reaction(OER)is the key half-reaction of performance-limiting in water splitting.Given the complicated reaction process and surface reconstruction of the involved catalysts under actual working conditions,unraveling the real active sites,probing multiple reaction intermediates and clarifying catalytic pathways through in-situ characterization techniques and theoretical calculations are essential.In this review,we summarize the recent advancements in understanding the catalytic process,unlocking the water oxidation active phase and elucidating catalytic mechanism of water oxidation by various in-situ characterization techniques.Firstly,we introduce conventionally proposed traditional catalytic mechanisms and novel evolutionary mechanisms of OER,and highlight the significance of optimal catalytic pathways and intrinsic stability.Next,we provide a comprehensive overview of the fundamental working principles,different detection modes,applicable scenarios,and limitations associated with the in-situ characterization techniques.Further,we exemplified the in-situ studies and discussed phase transition detection,visualization of speciation evolution,electronic structure tracking,observation of reaction active intermediates,and monitoring of catalytic products,as well as establishing catalytic structure-activity relationships and catalytic mechanism.Finally,the key challenges and future perspectives for demystifying the water oxidation process are briefly proposed.展开更多
Thermally activated delayed fluorescence(TADF)molecules have outstanding potential for applications in organic light-emitting diodes(OLEDs).Due to the lack of systematic studies on the correlation between molecular st...Thermally activated delayed fluorescence(TADF)molecules have outstanding potential for applications in organic light-emitting diodes(OLEDs).Due to the lack of systematic studies on the correlation between molecular structure and luminescence properties,TADF molecules are far from meeting the needs of practical applications in terms of variety and number.In this paper,three twisted TADF molecules are studied and their photophysical properties are theoretically predicted based on the thermal vibrational correlation function method combined with multiscale calculations.The results show that all the molecules exhibit fast reverse intersystem crossing(RISC)rates(kRISC),predicting their TADF luminescence properties.In addition,the binding of DHPAzSi as the donor unit with different acceptors can change the dihedral angle between the ground and excited states,and the planarity of the acceptors is positively correlated with the reorganization energy,a property that has a strong influence on the non-radiative process.Furthermore,a decrease in the energy of the molecular charge transfer state and an increase in the kRISC were observed in the films.This study not only provides a reliable explanation for the observed experimental results,but also offers valuable insights that can guide the design of future TADF molecules.展开更多
The mainstream silver recovery has problems such as resource waste,weak silver selectivity,and complicated operation.Here,self-propelled magnetic enhanced capture hydrogel(magnetic NbFeB/MXene/GO,MNMGH)was prepared by...The mainstream silver recovery has problems such as resource waste,weak silver selectivity,and complicated operation.Here,self-propelled magnetic enhanced capture hydrogel(magnetic NbFeB/MXene/GO,MNMGH)was prepared by self-crosslinking encapsulation method.MNMGH achieved high selectivity(K_(d)=23.31 mL/g)in the acidic range,and exhibited ultrahigh silver recovery capacity(1604.8 mg/g),which greatly improved by 66%with the assistance of in-situ magnetic field.The recovered silver crystals could be directly physically exfoliated,without acid/base additions.The selective sieving effect of adsorption,MNMGH preferentially adsorbed Ag(I),and then selectively reduced to Ag(0),realizing dual-selective recovery.The in-situ magnetic field enhanced selective adsorption by enhancing mass transfer,reactivity of oxygen-containing functional groups.Furthermore,density function theory simulations demonstrated that the in-situ magnetic field could lower the silver reduction reaction energy barrier to enhance the selective reduction.Three-drive synergy system(reduction drive,adsorption drive and magnetic drive)achieved ultrahigh silver recovery performance.This study pioneered an in-situ magnetic field assisted enhancement strategy for dual-selective(adsorption/reduction)recovery of precious metal silver,which provided new idea for low-carbon recovery of noble metal from industrial waste liquids.展开更多
The autothermic pyrolysis in-situ conversion process (ATS) consumes latent heat of residual organic matter after kerogen pyrolysis by oxidation reaction, and it has the advantages of low development cost and exploitat...The autothermic pyrolysis in-situ conversion process (ATS) consumes latent heat of residual organic matter after kerogen pyrolysis by oxidation reaction, and it has the advantages of low development cost and exploitation of deep oil shale resources. However, the heating mechanism and the characteristic of different reaction zones are still unclear. In this study, an ATS numerical simulation model was proposed for the development of oil shale, which considers the pyrolysis of kerogen, high-temperature oxidation, and low-temperature oxidation. Based on the above model, the mechanism of the ATS was analyzed and the effects of preheating temperature, O_(2) content, and injection rate on recovery factor and energy efficiency were studied. The results showed that the ATS in the formation can be divided into five characteristic zones by evolution of the oil and O_(2) distribution, and the solid organic matter, including residue zone, autothermic zone, pyrolysis zone, preheating zone, and original zone. Energy efficiency was much higher for the ATS than for the high-temperature nitrogen injection in-situ conversion process (HNICP). There is a threshold value of the preheating temperature, the oil content, and the injection rate during the ATS, which is 400 °C, 0.18, and 1100 m3/day, respectively, in this study.展开更多
Laser-induced breakdown spectroscopy(LIBS) has attracted extensive attention as a new technique for in-situ marine application. In this work, the influence of deep-sea high pressure environment on LIBS signals was inv...Laser-induced breakdown spectroscopy(LIBS) has attracted extensive attention as a new technique for in-situ marine application. In this work, the influence of deep-sea high pressure environment on LIBS signals was investigated by using a compact LIBS-sea system developed by Ocean University of China for the in-situ chemical analysis of seawater. The results from the field measurements show that the liquid pressure has a significant effect on the LIBS signals. Higher peak intensity and larger line broadening were obtained as the pressure increases. By comparing the variations of the temperature and salinity with the LIBS signals, a weak correlation between them can be observed. Under high pressure conditions, the optimal laser energy was higher than that in air environment. When the laser energy exceeded 17 mJ, the effect of laser energy on the signal intensity weakened. The signal intensity decreases gradually at larger delays. The obtained results verified the feasibility of the LIBS technique for the deep-sea in-situ detection, and we hope this technology can contribute to surveying more deep-sea environments such as the hydrothermal vent regions.展开更多
The purpose of this study is to investigate the entire evolution process of shales with various total organic contents(TOC)in order to build models for quantitative evaluation of oil and gas yields and establish metho...The purpose of this study is to investigate the entire evolution process of shales with various total organic contents(TOC)in order to build models for quantitative evaluation of oil and gas yields and establish methods for assessing recoverable oil and gas resources from in-situ conversion of organic matters in shale.Thermal simulation experiments under in-situ conversion conditions were conducted on Chang 7_(3) shales from the Ordos Basin in a semi-open system with large capacity.The results showed that TOC and R_(o) were the key factors affecting the in-situ transformation potential of shale.The remaining oil and gas yields increased linearly with TOC but inconsistently with R_(o).R_(o) ranged 0.75%—1.25%and 1.05%—2.3%,respectively,corresponding to the main oil generation stage and gas generation stage of shale in-situ transformation.Thus a model to evaluate the remaining oil/gas yield with TOC and R_(o) was obtained.The TOC of shale suitable for in-situ conversion should be greater than 6%,whereas its R_(o) should be less than 1.0%.Shales with 0.75%(R_(o))could obtain the best economic benefit.The results provided a theoretical basis and evaluation methodology for predicting the hydrocarbon resources from in-situ conversion of shale and for the identification of the optimum“sweet spots”.The assessment of the Chang 7_(3) shale in the Ordos Basin indicated that the recoverable oil and gas resources from in-situ conversion of organic matters in shale are substantial,with oil and gas resources reaching approximately 450×10^(8) t and 30×10^(12)m^(3),respectively,from an area of 4.27×10^(4) km^(2).展开更多
The tight sandstone in the Tarim Basin has the characteristics of large burial depth and development of nature fractures due to concentrated in-situ stress. Identifying the present-day in-situ stress orientation is im...The tight sandstone in the Tarim Basin has the characteristics of large burial depth and development of nature fractures due to concentrated in-situ stress. Identifying the present-day in-situ stress orientation is important in hydrocarbon exploration and development, but also a key scientific question in understanding naturally fractured reservoirs. This paper presents a case study where we integrate various methods using wireline and image-log data, to identify present-day in-situ stress direction of ultra-deep fractured tight sandstone reservoirs, in the Kuqa depression. We discuss the formation mechanism of the elliptical borehole, compares the advantages and applicable conditions of the double caliper method,resistivity image logs and array sonic logs method. The well borehole diameter is measured orthogonally,then the ellipse is fitted, and the in-situ stress orientation is identified by the azimuth of the short-axis borehole, but it fails in the borehole expansion section, the fracture development section and the borehole collapse section. The micro-resistivity image logs method reveals the borehole breakouts azimuth, and also the strike of induced fractures, which are used to determine the orientation of in-situ stress. However, under water-based mud conditions, it’s hard to distinguish natural fractures from induced fractures by image logs. Under oil-based mud conditions, the induced fractures are difficult to identify due to the compromised image quality. As for the sonic log, shear waves will split when passing through an anisotropic formation, shear waves will split during propagation, and the azimuth of fast shear waves is consistent with the orientation of in-situ stress. However, it is usually affected by the anisotropy caused by the excessively fast rotation of the well log tools, so that the azimuth of fast shear wave cannot effectively reflect the orientation of the in-situ stress. Based on comprehensive assessment and comparison, in this paper we propose a method integrating various logging data to identify the orientation of in-situ stress. Among various types of logging data, the breakouts azimuth identified by image logs is proved to be the most credible in identifying the orientation of in-situ stress, while using the direction of induced fractures under water-based mud conditions is also viable. However, the azimuth of the fast shear wave is consistent with the orientation of maximum in-situ stress only when the rotation speed of the logging tool is low. The caliper method can be used as a reference for verifying the other two methods. Using this integrated method to study the orientation of in-situ stress in the Keshen8 trap, the results show that faults are an important factor affecting the direction of in-situ stress, while multi-level faults will produce superimposed effects that cause the current direction of in-situ stress to change.展开更多
Scanning tunnel microscopy (STM) is performed to verify if an Rh 'nails' structure is formed accompanying the graphene growing during chemical vapor deposition. A structure of a graphene island in an Rh vacancy is...Scanning tunnel microscopy (STM) is performed to verify if an Rh 'nails' structure is formed accompanying the graphene growing during chemical vapor deposition. A structure of a graphene island in an Rh vacancy island is used as the start. While the graphene island is removed by oxygenation, the variations of the Rh vacancy island are imaged with an in-situ high-temperature STM. By fitting with our model and calculations, we conclude that the best fit is obtained for 0% Rh, i.e., for the complete absence of nails below graphene on Rh(111). That is, when graphene is formed on Rh(111), the substrate remains fiat and does not develop a SUPPorting nail structure.展开更多
The complexity of diagenesis and hydrocarbon accumulation in the deep reservoirs in southern Junggar Basin restricts hydrocarbon exploration in the lower reservoir assemblage. The lithofacies and diagenesis of reservo...The complexity of diagenesis and hydrocarbon accumulation in the deep reservoirs in southern Junggar Basin restricts hydrocarbon exploration in the lower reservoir assemblage. The lithofacies and diagenesis of reservoirs in the Cretaceous Qingshuihe Formation in the Gaoquan structure of the Sikeshu Sag, southern Junggar Basin were analyzed. On this basis, the thermal history was calibrated using calcite in-situ U-Pb dating and fluid inclusion analysis to depict the hydrocarbon accumulation process in the Gaoquan structure. The results show that the Qingshuihe reservoir experienced two phases of calcite cementation and three phases of hydrocarbon charging. The calcite cements are dated to be (122.1±6.4) Ma, (14.4±1.0) Ma - (14.2±0.3) Ma. The hydrocarbon charging events occurred at around 14.2-30.0 Ma (low-mature oil), 14.2 Ma (mature oil), and 2 Ma (high-mature gas). The latter two phases of hydrocarbon charging contributed dominantly to the formation of reservoir. Due to the S-N compressive thrust activity during the late Himalayan period since 2 Ma, the traps in the Gaoquan structure were reshaped, especially the effective traps which developed in the main reservoir-forming period were decreased significantly in scale, resulting in weak hydrocarbon shows in the middle-lower part of the structure. This indicates that the effective traps in key reservoir-forming period controlled hydrocarbon enrichment and distribution in the lower reservoir assemblage. Calcite U-Pb dating combined with fluid inclusion analysis can help effectively describe the complex diagenesis and hydrocarbon accumulation process in the central-west part of the basin.展开更多
Of Studies is an important one in The Essays of Francis Bacon, of which words are concise and refining, reasoning is profound and logic. Wang Zuoliang's translated version is so efficient and smooth with classical...Of Studies is an important one in The Essays of Francis Bacon, of which words are concise and refining, reasoning is profound and logic. Wang Zuoliang's translated version is so efficient and smooth with classical Chinese style that it perfectly reveals the original text, turning out to be the best version among all the translation of Of Studies. This thesis compares Of Studies and Wang Zuoliang's translated version to analyze their linguistic feature in terms of diction, sentence and figures of speech.展开更多
Ganoderma lucidum,one of the most well-known edible fungi,is believed to be very beneficial for longevity and vitality.A long usage history suggests that G.lucidum has various clinical therapeutic effects.And experime...Ganoderma lucidum,one of the most well-known edible fungi,is believed to be very beneficial for longevity and vitality.A long usage history suggests that G.lucidum has various clinical therapeutic effects.And experimental studies have confirmed that G.lucidum has multiple pharmacological effects,including antitumor,anti-microbial,anti-HIV protease,and antidiabetic activity and so on.With the deepening of research,more than 300 compounds have been isolated from G.lucidum.There is an increasing population of G.lucidum-based products,and its international development is expanding.Currently,G.lucidum has drawn much attention to its chemical composition,therapeutic effect,clinical value,and safety.This paper provides a comprehensive review of these aspects to enhance the global promotion of G.lucidum.展开更多
The discovery of high temperature superconductivity in single-layer FeSe/SrTiO3 provides a new platform for ex- ploring superconductivity and pursuing higher Tc (superconducting transition temperature) through fabri...The discovery of high temperature superconductivity in single-layer FeSe/SrTiO3 provides a new platform for ex- ploring superconductivity and pursuing higher Tc (superconducting transition temperature) through fabricating artificial heterostructures. In this paper, we review the recent progress in studying and tuning the interfacial superconductivity in single-layer FeSe, through the combined in-situ spectroscopic studies and atomic-scale engineering. By fabricating arti- ficial heterostructures, various interfacial factors were tuned, and the corresponding evolutions of electronic structure and superconducting gap behavior were investigated. These studies enrich the current understanding on the interfacial superconductivity, and provide clues for further enhancing Tc through interface engineering.展开更多
Effectively separating bastnaesite from calcium-bearing gangue minerals(particularly calcite)presents a formidable challenge,making the development of efficient collectors crucial.To achieve this,we have designed and ...Effectively separating bastnaesite from calcium-bearing gangue minerals(particularly calcite)presents a formidable challenge,making the development of efficient collectors crucial.To achieve this,we have designed and synthesized a novel,highly efficient,water-soluble cationic collector,N-dodecylisopropanolamine(NDIA),for use in the bastnaesite-calcite flotation process.Density functional theory(DFT)calculations identified the amine nitrogen atom in NDIA as the site most susceptible to electrophilic attack and electron loss.By introducing an OH group into the traditional collector dodecylamine(DDA)structure,NDIA provided additional adsorption sites,enabling synergistic adsorption on the surface of bastnaesite,thereby significantly enhancing both the floatability and selectivity of these minerals.The recovery of bastnaesite was 76.02%,while the calcite was 1.26%.The NDIA markedly affected the zeta potential of bastnaesite,while its impact on calcite was relatively minor.Detailed Fourier-transform infrared spectroscopy(FTIR)and X-ray photoelectron spectroscopy(XPS)results elucidated that the―NH―and―OH groups in NDIA anchored onto the bastnaesite surface through robust electrostatic and hydrogen bonding interactions,thereby enhancing bastnaesite's affinity for NDIA.Furthermore,in situ atomic force microscopy(AFM)provided conclusive evidence of NDIA aggregation on the bastnaesite surface,improving contact angle and hydrophobicity,and significantly boosting the flotation recovery of bastnaesite.展开更多
In-situ DRIFTS was used to study the deep oxidation of propane, a side reaction during propane oxidative dehydrogenation to propene. Strong adsorption of propene was supposed to be the main reason for the deep oxidati...In-situ DRIFTS was used to study the deep oxidation of propane, a side reaction during propane oxidative dehydrogenation to propene. Strong adsorption of propene was supposed to be the main reason for the deep oxidation. It was found that gaseous oxygen in the feed and the reaction temperature had great influence on the reaction. To obtain a relative high selectivity to propene, the reaction temperature should be maintained at 150-250℃ with a proper content of gaseous oxygen in the feed for a certain catalyst and some modifiers which could weaken the adsorption of propene on the catalyst surface would be favorable.展开更多
The function of solid electrolytes and the composition of solid electrolyte interphase(SEI)are highly significant for inhibiting the growth of Li dendrites.Herein,we report an in-situ interfacial passivation combined ...The function of solid electrolytes and the composition of solid electrolyte interphase(SEI)are highly significant for inhibiting the growth of Li dendrites.Herein,we report an in-situ interfacial passivation combined with self-adaptability strategy to reinforce Li_(0.33)La_(0.557)TiO_(3)(LLTO)-based solid-state batteries.Specifically,a functional SEI enriched with LiF/Li_(3)PO_(4) is formed by in-situ electrochemical conversion,which is greatly beneficial to improving interface compatibility and enhancing ion transport.While the polarized dielectric BaTiO_(3)-polyamic acid(BTO-PAA,BP)film greatly improves the Li-ion transport kinetics and homogenizes the Li deposition.As expected,the resulting electrolyte offers considerable ionic conductivity at room temperature(4.3 x 10~(-4)S cm^(-1))and appreciable electrochemical decomposition voltage(5.23 V)after electrochemical passivation.For Li-LiFePO_(4) batteries,it shows a high specific capacity of 153 mA h g^(-1)at 0.2C after 100 cycles and a long-term durability of 115 mA h g^(-1)at 1.0 C after 800 cycles.Additionally,a stable Li plating/stripping can be achieved for more than 900 h at 0.5 mA cm^(-2).The stabilization mechanisms are elucidated by ex-situ XRD,ex-situ XPS,and ex-situ FTIR techniques,and the corresponding results reveal that the interfacial passivation combined with polarization effect is an effective strategy for improving the electrochemical performance.The present study provides a deeper insight into the dynamic adjustment of electrode-electrolyte interfacial for solid-state lithium batteries.展开更多
The reaction mechanism for alkylation of benzene with propylene over the β zeolite and the MCM-22 zeolite were investigated respectively by in-situ IR spectrometry. Three types of experiments were carried out. (1) ...The reaction mechanism for alkylation of benzene with propylene over the β zeolite and the MCM-22 zeolite were investigated respectively by in-situ IR spectrometry. Three types of experiments were carried out. (1) IR spectra of the gas-phase propylene, benzene and isopropyl benzene were recorded. (2) IR spectra of the above-mentioned substances as adsorbates that have combined with the zeolite wafer were recorded. (3) IR spectra of the reaction modes were recorded. The test results showed that the alkytation reaction over the zeolite β was ascribed to the mechanism of carbonium ions, whereas the alkylation reaction over the zeolite MCM-22 was ascribed to the synchronous reaction mechanism.展开更多
The existence and risk of emerging organic contaminants(EOCs)have been under consideration and paid much effort to degrade these pollutants.Fenton system is one of the most widely used technologies to solve this probl...The existence and risk of emerging organic contaminants(EOCs)have been under consideration and paid much effort to degrade these pollutants.Fenton system is one of the most widely used technologies to solve this problem.The original Fenton system relies on the hydroxyl radicals produced by Fe(Ⅱ)/H_(2)O_(2) to oxidize the organic contaminants.However,the application of the Fenton system is limited by its low iron cycling efficiency and the high risks of hydrogen peroxide transportation and storage.The introduction of external energy(including light and electricity etc.)can effectively promote the Fe(Ⅲ)/Fe(Ⅱ)cycle and the reduction of oxygen to produce hydrogen peroxide in situ.This review introduces three in-situ Fenton systems,which are electro-Fenton,Photo-Fenton,and chemical reaction.The mechanism,influencing factors,and catalysts of these three in-situ Fenton systems in degrading EOCs are discussed systematically.This review strengthens the understanding of Fenton and in-situ Fenton systems in degradation,offering further insight into the real application of the in-situ Fenton system in the removal of EOCs.展开更多
Background:Meta-analysis is a statistical method to synthesize evidence from a number of independent studies,including those from clinical studies with binary outcomes.In practice,when there are zero events in one or ...Background:Meta-analysis is a statistical method to synthesize evidence from a number of independent studies,including those from clinical studies with binary outcomes.In practice,when there are zero events in one or both groups,it may cause statistical problems in the subsequent analysis.Methods:In this paper,by considering the relative risk as the effect size,we conduct a comparative study that consists of four continuity correction methods and another state-of-the-art method without the continuity correction,namely the generalized linear mixed models(GLMMs).To further advance the literature,we also introduce a new method of the continuity correction for estimating the relative risk.Results:From the simulation studies,the new method performs well in terms of mean squared error when there are few studies.In contrast,the generalized linear mixed model performs the best when the number of studies is large.In addition,by reanalyzing recent coronavirus disease 2019(COVID-19)data,it is evident that the double-zero-event studies impact the estimate of the mean effect size.Conclusions:We recommend the new method to handle the zero-event studies when there are few studies in a meta-analysis,or instead use the GLMM when the number of studies is large.The double-zero-event studies may be informative,and so we suggest not excluding them.展开更多
The poor electrochemical performance of all-solid-state batteries(ASSBs),which is assemblied by Ni-rich cathode and poly(ethylene oxide)(PEO)-based electrolytes,can be attributed to unstable cathodic interface and poo...The poor electrochemical performance of all-solid-state batteries(ASSBs),which is assemblied by Ni-rich cathode and poly(ethylene oxide)(PEO)-based electrolytes,can be attributed to unstable cathodic interface and poor crystal structure stability of Ni-rich cathode.Several coating strategies are previously employed to enhance the stability of the cathodic interface and crystal structure for Ni-rich cathode.However,these methods can hardly achieve simplicity and high efficiency simultaneously.In this work,polyacrylic acid(PAA)replaced traditional PVDF as a binder for cathode,which can achieve a uniform PAA-Li(LixPAA(0<x≤1))coating layer on the surface of single-crystal LiNi_(0.83)Co_(0.12)Mn_(0.05)O_(2)(SC-NCM83)due to H^(+)/Li^(+)exchange reaction during the initial charging-discharging process.The formation of PAA-Li coating layer on cathode can promote interfacial Li^(+)transport and enhance the stability of the cathodic interface.Furthermore,the partially-protonated surface of SC-NCM83 casued by H^(+)/Li^(+)exchange reaction can restrict Ni ions transport to enhance the crystal structure stability.The proposed SC-NCM83-PAA exhibits superior cycling performance with a retention of 92%compared with that(57.3%)of SC-NCM83-polyvinylidene difluoride(PVDF)after 200 cycles.This work provides a practical strategy to construct high-performance cathodes for ASSBs.展开更多
Using pressure-preserved coring technique to determine in-situ gas content provides a more precise assessment of gas resource reserves and safeguard of mining safety in coal seams. How coring technique and depth affec...Using pressure-preserved coring technique to determine in-situ gas content provides a more precise assessment of gas resource reserves and safeguard of mining safety in coal seams. How coring technique and depth affect the determination of gas content is unclear due to borehole zoning rupture caused by roadway excavation and drilling disturbance. To this end, a proposed coupling model of stress distribution and gas migration was simulated and validated by FLAC^(3D) and COMSOL Multiphysics considering superposition effects of roadway excavation and drilling disturbance. The findings indicate that the roadway surrounding rock displays distinct zoning features including stress relief zone, stress concentration zone that is composed of plastic zone, elastic zone, and original stress zone;and the broken situations depending on the borehole peeping are consistent with the corresponding simulation results.On this basis, this study proposes a set of drilling coring depth calculation and prediction model for the gas desorption affected area under engineering disturbance. Optimal depth of coring drilling is not only approach to the in-situ coal bulk, but also can get the balance of the drilling workload and cost controlling. According to the typical mine site geological conditions and the numerical simulation results in this study, if the roadway excavation time is ~1 year, it is recommended that the pressure-preserved coring depth should be greater than 17 m.展开更多
基金support from National Natural Science Foundation of China(Grant Nos.22125903,22209174)the National Key R&D Program of China(Grants 2022YFA1504100)+2 种基金Dalian Innovation Support Plan for High Level Talents(2019RT09)Dalian National Laboratory For Clean Energy(DNL),CAS,DNL Cooperation Fund,CAS(DNL202016,DNL202019)DICP(DICP I2020032).
文摘Electricity-driven water splitting to produce hydrogen is one of the most efficient ways to alleviate energy crisis and environmental pollution problems,in which the anodic oxygen evolution reaction(OER)is the key half-reaction of performance-limiting in water splitting.Given the complicated reaction process and surface reconstruction of the involved catalysts under actual working conditions,unraveling the real active sites,probing multiple reaction intermediates and clarifying catalytic pathways through in-situ characterization techniques and theoretical calculations are essential.In this review,we summarize the recent advancements in understanding the catalytic process,unlocking the water oxidation active phase and elucidating catalytic mechanism of water oxidation by various in-situ characterization techniques.Firstly,we introduce conventionally proposed traditional catalytic mechanisms and novel evolutionary mechanisms of OER,and highlight the significance of optimal catalytic pathways and intrinsic stability.Next,we provide a comprehensive overview of the fundamental working principles,different detection modes,applicable scenarios,and limitations associated with the in-situ characterization techniques.Further,we exemplified the in-situ studies and discussed phase transition detection,visualization of speciation evolution,electronic structure tracking,observation of reaction active intermediates,and monitoring of catalytic products,as well as establishing catalytic structure-activity relationships and catalytic mechanism.Finally,the key challenges and future perspectives for demystifying the water oxidation process are briefly proposed.
文摘Thermally activated delayed fluorescence(TADF)molecules have outstanding potential for applications in organic light-emitting diodes(OLEDs).Due to the lack of systematic studies on the correlation between molecular structure and luminescence properties,TADF molecules are far from meeting the needs of practical applications in terms of variety and number.In this paper,three twisted TADF molecules are studied and their photophysical properties are theoretically predicted based on the thermal vibrational correlation function method combined with multiscale calculations.The results show that all the molecules exhibit fast reverse intersystem crossing(RISC)rates(kRISC),predicting their TADF luminescence properties.In addition,the binding of DHPAzSi as the donor unit with different acceptors can change the dihedral angle between the ground and excited states,and the planarity of the acceptors is positively correlated with the reorganization energy,a property that has a strong influence on the non-radiative process.Furthermore,a decrease in the energy of the molecular charge transfer state and an increase in the kRISC were observed in the films.This study not only provides a reliable explanation for the observed experimental results,but also offers valuable insights that can guide the design of future TADF molecules.
基金supported by The National Natural Science Foundation of China(52170087,22276137).
文摘The mainstream silver recovery has problems such as resource waste,weak silver selectivity,and complicated operation.Here,self-propelled magnetic enhanced capture hydrogel(magnetic NbFeB/MXene/GO,MNMGH)was prepared by self-crosslinking encapsulation method.MNMGH achieved high selectivity(K_(d)=23.31 mL/g)in the acidic range,and exhibited ultrahigh silver recovery capacity(1604.8 mg/g),which greatly improved by 66%with the assistance of in-situ magnetic field.The recovered silver crystals could be directly physically exfoliated,without acid/base additions.The selective sieving effect of adsorption,MNMGH preferentially adsorbed Ag(I),and then selectively reduced to Ag(0),realizing dual-selective recovery.The in-situ magnetic field enhanced selective adsorption by enhancing mass transfer,reactivity of oxygen-containing functional groups.Furthermore,density function theory simulations demonstrated that the in-situ magnetic field could lower the silver reduction reaction energy barrier to enhance the selective reduction.Three-drive synergy system(reduction drive,adsorption drive and magnetic drive)achieved ultrahigh silver recovery performance.This study pioneered an in-situ magnetic field assisted enhancement strategy for dual-selective(adsorption/reduction)recovery of precious metal silver,which provided new idea for low-carbon recovery of noble metal from industrial waste liquids.
基金financial support offered by the National Key R&D Program of China(Grant No.2019YFA0705502,Grant No.2019YFA0705501)the National Natural Science Fund Project of China(Grant No.4210020395)+1 种基金the China Postdoctoral Science Foundation(Grant No.2021M700053)Technology Development Plan Project of Jilin Province(Grant No.20200201219JC).
文摘The autothermic pyrolysis in-situ conversion process (ATS) consumes latent heat of residual organic matter after kerogen pyrolysis by oxidation reaction, and it has the advantages of low development cost and exploitation of deep oil shale resources. However, the heating mechanism and the characteristic of different reaction zones are still unclear. In this study, an ATS numerical simulation model was proposed for the development of oil shale, which considers the pyrolysis of kerogen, high-temperature oxidation, and low-temperature oxidation. Based on the above model, the mechanism of the ATS was analyzed and the effects of preheating temperature, O_(2) content, and injection rate on recovery factor and energy efficiency were studied. The results showed that the ATS in the formation can be divided into five characteristic zones by evolution of the oil and O_(2) distribution, and the solid organic matter, including residue zone, autothermic zone, pyrolysis zone, preheating zone, and original zone. Energy efficiency was much higher for the ATS than for the high-temperature nitrogen injection in-situ conversion process (HNICP). There is a threshold value of the preheating temperature, the oil content, and the injection rate during the ATS, which is 400 °C, 0.18, and 1100 m3/day, respectively, in this study.
基金supported by National Key Research and Development Program of China (No. 2016YFC0302102)Fundamental Research Funds for the Central Universities (No. 201822003)
文摘Laser-induced breakdown spectroscopy(LIBS) has attracted extensive attention as a new technique for in-situ marine application. In this work, the influence of deep-sea high pressure environment on LIBS signals was investigated by using a compact LIBS-sea system developed by Ocean University of China for the in-situ chemical analysis of seawater. The results from the field measurements show that the liquid pressure has a significant effect on the LIBS signals. Higher peak intensity and larger line broadening were obtained as the pressure increases. By comparing the variations of the temperature and salinity with the LIBS signals, a weak correlation between them can be observed. Under high pressure conditions, the optimal laser energy was higher than that in air environment. When the laser energy exceeded 17 mJ, the effect of laser energy on the signal intensity weakened. The signal intensity decreases gradually at larger delays. The obtained results verified the feasibility of the LIBS technique for the deep-sea in-situ detection, and we hope this technology can contribute to surveying more deep-sea environments such as the hydrothermal vent regions.
基金supported by PetroChina Co Ltd.(Grant number:2015D-4810-02,2018YCQ03,2021DJ52)National Natural Science Foundation of China(Grant number:42172170)
文摘The purpose of this study is to investigate the entire evolution process of shales with various total organic contents(TOC)in order to build models for quantitative evaluation of oil and gas yields and establish methods for assessing recoverable oil and gas resources from in-situ conversion of organic matters in shale.Thermal simulation experiments under in-situ conversion conditions were conducted on Chang 7_(3) shales from the Ordos Basin in a semi-open system with large capacity.The results showed that TOC and R_(o) were the key factors affecting the in-situ transformation potential of shale.The remaining oil and gas yields increased linearly with TOC but inconsistently with R_(o).R_(o) ranged 0.75%—1.25%and 1.05%—2.3%,respectively,corresponding to the main oil generation stage and gas generation stage of shale in-situ transformation.Thus a model to evaluate the remaining oil/gas yield with TOC and R_(o) was obtained.The TOC of shale suitable for in-situ conversion should be greater than 6%,whereas its R_(o) should be less than 1.0%.Shales with 0.75%(R_(o))could obtain the best economic benefit.The results provided a theoretical basis and evaluation methodology for predicting the hydrocarbon resources from in-situ conversion of shale and for the identification of the optimum“sweet spots”.The assessment of the Chang 7_(3) shale in the Ordos Basin indicated that the recoverable oil and gas resources from in-situ conversion of organic matters in shale are substantial,with oil and gas resources reaching approximately 450×10^(8) t and 30×10^(12)m^(3),respectively,from an area of 4.27×10^(4) km^(2).
基金financial support for this work comes from the Science Foundation of CUPB(No.2462017YJRC023)supported by the Exploration and Development Research Institute of Petro China Tarim Oilfield Branch Company
文摘The tight sandstone in the Tarim Basin has the characteristics of large burial depth and development of nature fractures due to concentrated in-situ stress. Identifying the present-day in-situ stress orientation is important in hydrocarbon exploration and development, but also a key scientific question in understanding naturally fractured reservoirs. This paper presents a case study where we integrate various methods using wireline and image-log data, to identify present-day in-situ stress direction of ultra-deep fractured tight sandstone reservoirs, in the Kuqa depression. We discuss the formation mechanism of the elliptical borehole, compares the advantages and applicable conditions of the double caliper method,resistivity image logs and array sonic logs method. The well borehole diameter is measured orthogonally,then the ellipse is fitted, and the in-situ stress orientation is identified by the azimuth of the short-axis borehole, but it fails in the borehole expansion section, the fracture development section and the borehole collapse section. The micro-resistivity image logs method reveals the borehole breakouts azimuth, and also the strike of induced fractures, which are used to determine the orientation of in-situ stress. However, under water-based mud conditions, it’s hard to distinguish natural fractures from induced fractures by image logs. Under oil-based mud conditions, the induced fractures are difficult to identify due to the compromised image quality. As for the sonic log, shear waves will split when passing through an anisotropic formation, shear waves will split during propagation, and the azimuth of fast shear waves is consistent with the orientation of in-situ stress. However, it is usually affected by the anisotropy caused by the excessively fast rotation of the well log tools, so that the azimuth of fast shear wave cannot effectively reflect the orientation of the in-situ stress. Based on comprehensive assessment and comparison, in this paper we propose a method integrating various logging data to identify the orientation of in-situ stress. Among various types of logging data, the breakouts azimuth identified by image logs is proved to be the most credible in identifying the orientation of in-situ stress, while using the direction of induced fractures under water-based mud conditions is also viable. However, the azimuth of the fast shear wave is consistent with the orientation of maximum in-situ stress only when the rotation speed of the logging tool is low. The caliper method can be used as a reference for verifying the other two methods. Using this integrated method to study the orientation of in-situ stress in the Keshen8 trap, the results show that faults are an important factor affecting the direction of in-situ stress, while multi-level faults will produce superimposed effects that cause the current direction of in-situ stress to change.
基金Supported by the National Natural Science Foundation of China under Grant No 51402026the Basic Research Program of Jiangsu Province under Grant No BK20130236the High Technology Research Key Laboratory of Changzhou under Grant No CM20133007
文摘Scanning tunnel microscopy (STM) is performed to verify if an Rh 'nails' structure is formed accompanying the graphene growing during chemical vapor deposition. A structure of a graphene island in an Rh vacancy island is used as the start. While the graphene island is removed by oxygenation, the variations of the Rh vacancy island are imaged with an in-situ high-temperature STM. By fitting with our model and calculations, we conclude that the best fit is obtained for 0% Rh, i.e., for the complete absence of nails below graphene on Rh(111). That is, when graphene is formed on Rh(111), the substrate remains fiat and does not develop a SUPPorting nail structure.
基金Supported by PetroChina Science and Technology Development Project(2023ZZ0206,2021DJ0303,2021DJ0105,2021DJ0203)National Natural ScienceFoundation of China(U22B6002).
文摘The complexity of diagenesis and hydrocarbon accumulation in the deep reservoirs in southern Junggar Basin restricts hydrocarbon exploration in the lower reservoir assemblage. The lithofacies and diagenesis of reservoirs in the Cretaceous Qingshuihe Formation in the Gaoquan structure of the Sikeshu Sag, southern Junggar Basin were analyzed. On this basis, the thermal history was calibrated using calcite in-situ U-Pb dating and fluid inclusion analysis to depict the hydrocarbon accumulation process in the Gaoquan structure. The results show that the Qingshuihe reservoir experienced two phases of calcite cementation and three phases of hydrocarbon charging. The calcite cements are dated to be (122.1±6.4) Ma, (14.4±1.0) Ma - (14.2±0.3) Ma. The hydrocarbon charging events occurred at around 14.2-30.0 Ma (low-mature oil), 14.2 Ma (mature oil), and 2 Ma (high-mature gas). The latter two phases of hydrocarbon charging contributed dominantly to the formation of reservoir. Due to the S-N compressive thrust activity during the late Himalayan period since 2 Ma, the traps in the Gaoquan structure were reshaped, especially the effective traps which developed in the main reservoir-forming period were decreased significantly in scale, resulting in weak hydrocarbon shows in the middle-lower part of the structure. This indicates that the effective traps in key reservoir-forming period controlled hydrocarbon enrichment and distribution in the lower reservoir assemblage. Calcite U-Pb dating combined with fluid inclusion analysis can help effectively describe the complex diagenesis and hydrocarbon accumulation process in the central-west part of the basin.
文摘Of Studies is an important one in The Essays of Francis Bacon, of which words are concise and refining, reasoning is profound and logic. Wang Zuoliang's translated version is so efficient and smooth with classical Chinese style that it perfectly reveals the original text, turning out to be the best version among all the translation of Of Studies. This thesis compares Of Studies and Wang Zuoliang's translated version to analyze their linguistic feature in terms of diction, sentence and figures of speech.
基金supported by Macao Science and Technology Development Fund(001/2023/ALC and 0006/2020/AKP)the Research Fund of University of Macao(CPG2023-00028-ICMS)+1 种基金the Guangxi Science and Technology Major Project(GUIKEAA22096029)Macao Young Scholars Program(AM2022022)。
文摘Ganoderma lucidum,one of the most well-known edible fungi,is believed to be very beneficial for longevity and vitality.A long usage history suggests that G.lucidum has various clinical therapeutic effects.And experimental studies have confirmed that G.lucidum has multiple pharmacological effects,including antitumor,anti-microbial,anti-HIV protease,and antidiabetic activity and so on.With the deepening of research,more than 300 compounds have been isolated from G.lucidum.There is an increasing population of G.lucidum-based products,and its international development is expanding.Currently,G.lucidum has drawn much attention to its chemical composition,therapeutic effect,clinical value,and safety.This paper provides a comprehensive review of these aspects to enhance the global promotion of G.lucidum.
基金supported by the National Natural Science Foundation of China and the National Basic Research Program of China(Grant Nos.2012CB921402,2011CB921802,and 2011CBA00112)
文摘The discovery of high temperature superconductivity in single-layer FeSe/SrTiO3 provides a new platform for ex- ploring superconductivity and pursuing higher Tc (superconducting transition temperature) through fabricating artificial heterostructures. In this paper, we review the recent progress in studying and tuning the interfacial superconductivity in single-layer FeSe, through the combined in-situ spectroscopic studies and atomic-scale engineering. By fabricating arti- ficial heterostructures, various interfacial factors were tuned, and the corresponding evolutions of electronic structure and superconducting gap behavior were investigated. These studies enrich the current understanding on the interfacial superconductivity, and provide clues for further enhancing Tc through interface engineering.
基金supported by the the National Key R&D Program of China(No.2021YFC2900800)National Natural Science Foundation of China(Nos.52425406,51874247,51922091,and 52204285)+4 种基金the Open Research Fund of State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization(No.CNMRCUKF2001)Science and Technology Major Project of Ordos City-Iconic Innovation Team and “Rejuvenating Inner Mongolia through Science and Technology”(No.202204/2023)Yueqi Outstanding Scholar Award of CUMTB(No.202022)Funded by Open Foundation of State Key Laboratory of Mineral Processing(No.BGRIMM-KJSKL-2023-05)Fundamental Research Funds for the Central Universities(Ph.D.Top Innovative Talents Fund of CUMT BBJ2024048)。
文摘Effectively separating bastnaesite from calcium-bearing gangue minerals(particularly calcite)presents a formidable challenge,making the development of efficient collectors crucial.To achieve this,we have designed and synthesized a novel,highly efficient,water-soluble cationic collector,N-dodecylisopropanolamine(NDIA),for use in the bastnaesite-calcite flotation process.Density functional theory(DFT)calculations identified the amine nitrogen atom in NDIA as the site most susceptible to electrophilic attack and electron loss.By introducing an OH group into the traditional collector dodecylamine(DDA)structure,NDIA provided additional adsorption sites,enabling synergistic adsorption on the surface of bastnaesite,thereby significantly enhancing both the floatability and selectivity of these minerals.The recovery of bastnaesite was 76.02%,while the calcite was 1.26%.The NDIA markedly affected the zeta potential of bastnaesite,while its impact on calcite was relatively minor.Detailed Fourier-transform infrared spectroscopy(FTIR)and X-ray photoelectron spectroscopy(XPS)results elucidated that the―NH―and―OH groups in NDIA anchored onto the bastnaesite surface through robust electrostatic and hydrogen bonding interactions,thereby enhancing bastnaesite's affinity for NDIA.Furthermore,in situ atomic force microscopy(AFM)provided conclusive evidence of NDIA aggregation on the bastnaesite surface,improving contact angle and hydrophobicity,and significantly boosting the flotation recovery of bastnaesite.
基金supported by the National Natural Science Foundation of China (20576045)the Program for New Century Excellent Talentsin University (NCET-06-740)
文摘In-situ DRIFTS was used to study the deep oxidation of propane, a side reaction during propane oxidative dehydrogenation to propene. Strong adsorption of propene was supposed to be the main reason for the deep oxidation. It was found that gaseous oxygen in the feed and the reaction temperature had great influence on the reaction. To obtain a relative high selectivity to propene, the reaction temperature should be maintained at 150-250℃ with a proper content of gaseous oxygen in the feed for a certain catalyst and some modifiers which could weaken the adsorption of propene on the catalyst surface would be favorable.
基金financially supported by the National Natural Science Foundation of China (51971080)the Shenzhen Bureau of Science,Technology and Innovation Commission (GXWD20201230155427003-20200730151200003 and JSGG20200914113601003)。
文摘The function of solid electrolytes and the composition of solid electrolyte interphase(SEI)are highly significant for inhibiting the growth of Li dendrites.Herein,we report an in-situ interfacial passivation combined with self-adaptability strategy to reinforce Li_(0.33)La_(0.557)TiO_(3)(LLTO)-based solid-state batteries.Specifically,a functional SEI enriched with LiF/Li_(3)PO_(4) is formed by in-situ electrochemical conversion,which is greatly beneficial to improving interface compatibility and enhancing ion transport.While the polarized dielectric BaTiO_(3)-polyamic acid(BTO-PAA,BP)film greatly improves the Li-ion transport kinetics and homogenizes the Li deposition.As expected,the resulting electrolyte offers considerable ionic conductivity at room temperature(4.3 x 10~(-4)S cm^(-1))and appreciable electrochemical decomposition voltage(5.23 V)after electrochemical passivation.For Li-LiFePO_(4) batteries,it shows a high specific capacity of 153 mA h g^(-1)at 0.2C after 100 cycles and a long-term durability of 115 mA h g^(-1)at 1.0 C after 800 cycles.Additionally,a stable Li plating/stripping can be achieved for more than 900 h at 0.5 mA cm^(-2).The stabilization mechanisms are elucidated by ex-situ XRD,ex-situ XPS,and ex-situ FTIR techniques,and the corresponding results reveal that the interfacial passivation combined with polarization effect is an effective strategy for improving the electrochemical performance.The present study provides a deeper insight into the dynamic adjustment of electrode-electrolyte interfacial for solid-state lithium batteries.
文摘The reaction mechanism for alkylation of benzene with propylene over the β zeolite and the MCM-22 zeolite were investigated respectively by in-situ IR spectrometry. Three types of experiments were carried out. (1) IR spectra of the gas-phase propylene, benzene and isopropyl benzene were recorded. (2) IR spectra of the above-mentioned substances as adsorbates that have combined with the zeolite wafer were recorded. (3) IR spectra of the reaction modes were recorded. The test results showed that the alkytation reaction over the zeolite β was ascribed to the mechanism of carbonium ions, whereas the alkylation reaction over the zeolite MCM-22 was ascribed to the synchronous reaction mechanism.
基金supported by the National Natural Science Foundation of China(No.21906056No.22176060)+2 种基金the Undergraduate Training Program on Innovation and Entrepreneurship(S202110251087)the Science and Technology Commission of Shanghai Municipality(22ZR1418600)Shanghai Municipal Science and Technology(No.20DZ2250400).
文摘The existence and risk of emerging organic contaminants(EOCs)have been under consideration and paid much effort to degrade these pollutants.Fenton system is one of the most widely used technologies to solve this problem.The original Fenton system relies on the hydroxyl radicals produced by Fe(Ⅱ)/H_(2)O_(2) to oxidize the organic contaminants.However,the application of the Fenton system is limited by its low iron cycling efficiency and the high risks of hydrogen peroxide transportation and storage.The introduction of external energy(including light and electricity etc.)can effectively promote the Fe(Ⅲ)/Fe(Ⅱ)cycle and the reduction of oxygen to produce hydrogen peroxide in situ.This review introduces three in-situ Fenton systems,which are electro-Fenton,Photo-Fenton,and chemical reaction.The mechanism,influencing factors,and catalysts of these three in-situ Fenton systems in degrading EOCs are discussed systematically.This review strengthens the understanding of Fenton and in-situ Fenton systems in degradation,offering further insight into the real application of the in-situ Fenton system in the removal of EOCs.
基金supported by grants awarded to Tie-Jun Tong from the General Research Fund(HKBU12303918)the National Natural Science Foundation of China(1207010822)the Initiation Grants for Faculty Niche Research Areas(RC-IG-FNRA/17-18/13,RC-FNRAIG/20-21/SCI/03)of Hong Kong Baptist University。
文摘Background:Meta-analysis is a statistical method to synthesize evidence from a number of independent studies,including those from clinical studies with binary outcomes.In practice,when there are zero events in one or both groups,it may cause statistical problems in the subsequent analysis.Methods:In this paper,by considering the relative risk as the effect size,we conduct a comparative study that consists of four continuity correction methods and another state-of-the-art method without the continuity correction,namely the generalized linear mixed models(GLMMs).To further advance the literature,we also introduce a new method of the continuity correction for estimating the relative risk.Results:From the simulation studies,the new method performs well in terms of mean squared error when there are few studies.In contrast,the generalized linear mixed model performs the best when the number of studies is large.In addition,by reanalyzing recent coronavirus disease 2019(COVID-19)data,it is evident that the double-zero-event studies impact the estimate of the mean effect size.Conclusions:We recommend the new method to handle the zero-event studies when there are few studies in a meta-analysis,or instead use the GLMM when the number of studies is large.The double-zero-event studies may be informative,and so we suggest not excluding them.
基金the financial support from the National Natural Science Foundation of China(Nos.52034011 and 52204328)the Science and Technology Innovation Program of Hunan Province(2023RC305)the Changsha Municipal Natural Science Foundation(kq2202085)。
文摘The poor electrochemical performance of all-solid-state batteries(ASSBs),which is assemblied by Ni-rich cathode and poly(ethylene oxide)(PEO)-based electrolytes,can be attributed to unstable cathodic interface and poor crystal structure stability of Ni-rich cathode.Several coating strategies are previously employed to enhance the stability of the cathodic interface and crystal structure for Ni-rich cathode.However,these methods can hardly achieve simplicity and high efficiency simultaneously.In this work,polyacrylic acid(PAA)replaced traditional PVDF as a binder for cathode,which can achieve a uniform PAA-Li(LixPAA(0<x≤1))coating layer on the surface of single-crystal LiNi_(0.83)Co_(0.12)Mn_(0.05)O_(2)(SC-NCM83)due to H^(+)/Li^(+)exchange reaction during the initial charging-discharging process.The formation of PAA-Li coating layer on cathode can promote interfacial Li^(+)transport and enhance the stability of the cathodic interface.Furthermore,the partially-protonated surface of SC-NCM83 casued by H^(+)/Li^(+)exchange reaction can restrict Ni ions transport to enhance the crystal structure stability.The proposed SC-NCM83-PAA exhibits superior cycling performance with a retention of 92%compared with that(57.3%)of SC-NCM83-polyvinylidene difluoride(PVDF)after 200 cycles.This work provides a practical strategy to construct high-performance cathodes for ASSBs.
基金supported by National Natural Science Foundation of China (Nos. 51827901, 52104096)the Shenzhen National Science Fund for Distinguished Young Scholars (No. RCJC20210706091948015)+2 种基金Open Fund of State Key Laboratory of Hydraulics and Mountain River Engineering, Sichuan University (No. SKHL2216)National Key R & D Program of China (No. 2022YFB3706605)Youth Foundation of Sichuan Natural Science Foundation (No. 2023NSFSC0780)。
文摘Using pressure-preserved coring technique to determine in-situ gas content provides a more precise assessment of gas resource reserves and safeguard of mining safety in coal seams. How coring technique and depth affect the determination of gas content is unclear due to borehole zoning rupture caused by roadway excavation and drilling disturbance. To this end, a proposed coupling model of stress distribution and gas migration was simulated and validated by FLAC^(3D) and COMSOL Multiphysics considering superposition effects of roadway excavation and drilling disturbance. The findings indicate that the roadway surrounding rock displays distinct zoning features including stress relief zone, stress concentration zone that is composed of plastic zone, elastic zone, and original stress zone;and the broken situations depending on the borehole peeping are consistent with the corresponding simulation results.On this basis, this study proposes a set of drilling coring depth calculation and prediction model for the gas desorption affected area under engineering disturbance. Optimal depth of coring drilling is not only approach to the in-situ coal bulk, but also can get the balance of the drilling workload and cost controlling. According to the typical mine site geological conditions and the numerical simulation results in this study, if the roadway excavation time is ~1 year, it is recommended that the pressure-preserved coring depth should be greater than 17 m.