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Numerical analysis of carrier gas characteristic effects on flow dynamics and combustion efficiency in natural gas and pulverized coal injection
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作者 Jianliang Zhang Sijia Duan +4 位作者 Cuiliu Zhang Runsheng Xu Ternovykh Aleksei Johannes Schenk Yunjian Zhao 《International Journal of Minerals,Metallurgy and Materials》 2025年第9期2141-2151,共11页
The mixing injection of natural gas and pulverized coal into the blast furnaces shows a promising technological approach in the context of global carbon reduction initiatives.Carrier gas and coal pass through the air ... The mixing injection of natural gas and pulverized coal into the blast furnaces shows a promising technological approach in the context of global carbon reduction initiatives.Carrier gas and coal pass through the air inlet of coal lance,and the characteristics of carrier gas affect the flow in the air inlet and the combustion efficiency of coal,so it is very important to study the change of carrier gas charac-teristics in the lower part of blast furnace.By means of numerical simulation,the influence of carrier gas characteristics(injection rate,composition,and temperature)on the mixed combustion of natural gas(NG)and pulverized coal in the tuyere raceway of Russian blast furnace was analyzed.When N_(2) is used as carrier gas,the injection rate of carrier gas is reduced from 4000 to 2000 m3/h,the average tuy-ere temperature is increased(1947.42 to 1963.30 K),the mole fractions of CO and H_(2) are increased,and the burnout rate of pulverized coal is decreased.Increasing the carrier gas temperature is helpful to improve the burnout of pulverized coal.For every 20 K increase of carrier gas temperature,the average temperature in the raceway increases by 20.6 K,which promotes the release and combustion of volat-iles,but the increase of carrier gas temperature from 373 to 393 K only leads to 1.16%burnout change.Considering the transportation characteristics of pulverized coal,it is suggested that the carrier gas temperature should be kept at about 373 K to obtain the best perform-ance.It is worth noting that when air is used as carrier gas,the burnout rate of pulverized coal is increased by 2.69%compared with N_(2). 展开更多
关键词 carrier gas fuel combustion natural gas blast furnace computational fluid dynamics
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Molecular dynamics study incorporating regression analysis:Quantitative effects of sinusoidal protrusions and wettability on water phase transition containing insoluble gases
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作者 Bingheng Li Yujian Gao +3 位作者 Mian Yu Lianfeng Wu Lianxiang Ma Yuanzheng Tang 《Chinese Physics B》 2025年第11期30-40,共11页
Molecular dynamics simulations were employed to establish a more realistic model of nanoscale boiling phase transitions.We examined the effects of different configurations of nanoscale sinusoidal protrusions and surfa... Molecular dynamics simulations were employed to establish a more realistic model of nanoscale boiling phase transitions.We examined the effects of different configurations of nanoscale sinusoidal protrusions and surface wettability on the phase transition behavior of systems containing insoluble gases under continuous heat flux input.To enhance the clarity and comparability of the results,a quantitative evaluation method was introduced.The findings reveal that,under identical wettability conditions,increasing the number of sinusoidal protrusions accelerates the onset of phase transition.In contrast,for a fixed number of protrusions,higher surface wettability delays the initiation of the phase change.By incorporating regression analysis to quantify the phase transition process and compare influencing factors,it was observed that although high wettability generally inhibits phase transition,the synergistic interaction between surface structure and wettability ultimately facilitates the phase transition process. 展开更多
关键词 molecular dynamics BOILING heat flux insoluble gas
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Gas Dynamics and Heat Transfer of Stationary Gas Flows in the Intake System with Different Designs of the Engine Cylinder Head
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作者 Leonid Plotnikov 《Frontiers in Heat and Mass Transfer》 2025年第5期1443-1454,共12页
Industry and energy continue to require piston engines(PICE)at a high level worldwide.Therefore,science and technology must urgently work on improving the PICE working cycle.Improving the quality of the intake process... Industry and energy continue to require piston engines(PICE)at a high level worldwide.Therefore,science and technology must urgently work on improving the PICE working cycle.Improving the quality of the intake process of theworking fluid into the cylinder is one of the most effective ways to improve the operational performance of PICE.The purpose of the study was to assess the impact of various cylinder head(CylH)designs on the gas-dynamic and heat-exchange qualities of air flows within an engine model’s intake system.Three different CylH designs were studied:the basic configuration and upgraded cylinder heads with a square valve and a square valve port.These designs are innovative.Laboratory conditions were used to conduct the studies for stationary air flow.The experiments covered the range of Reynolds numbers from 8500 to 96,000.The intake system’s gas dynamics and heat transfer were determined using the thermal anemometry method,which was based on constant-temperature hot-wire anemometers.It has been established that the use of upgraded CylHs causes an increase in the turbulence number of flow by an average of 13.5%.Additionally,itwas found that the increase in the turbulence number of flowin the cylinder is about 19%when installing new CylH designs.It was shown that therewas an increase in the heat transfer coefficient in the intake pipe by 10%–40%when installing modernized CylH designs in the intake system.The article focused on the problems of increasing the turbulence level and intensifying the heat transfer of stationary air flow in the intake system,specifically in PICEs.The study’s findings are novel in the areas of applied gas dynamics and PICEs. 展开更多
关键词 Piston engine cylinder head VALVE intake pipe gas dynamics local heat transfer stationary air flow
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Model of gas exchange dynamics for modified-atmosphere packages containing fresh produce
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作者 刘颖 李云飞 +1 位作者 王如竹 田平海 《Journal of Southeast University(English Edition)》 EI CAS 2005年第3期314-318,共5页
A model for modified-atmosphere packaging (MAP) systems containing fruits and vegetables was developed.The computer simulation was performed to predict the gas mass concentrations inside the packages and was success... A model for modified-atmosphere packaging (MAP) systems containing fruits and vegetables was developed.The computer simulation was performed to predict the gas mass concentrations inside the packages and was successfully verified by experiments with yellow peaches at 5,15 and 25 ℃ using two types of packaging films.A Michaelis-Menten type respiration model with noncompetitive inhibition mechanism due to CO2 was adopted while the respiration rates were measured with an improved permeable system method suitable for either steady or unsteady state.The applicability of the model in the design of MAP systems was demonstrated with a calculation to evaluate film specification and equilibrium concentrations of O2 and CO2 in the package containing yellow peaches. 展开更多
关键词 gas exchange dynamics modified-atmosphere package respiration rate yellow peach
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High density gas state at water/graphite interface studied by molecular dynamics simulation 被引量:10
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作者 王春雷 李朝霞 +3 位作者 李敬源 修鹏 胡钧 方海平 《Chinese Physics B》 SCIE EI CAS CSCD 2008年第7期2646-2654,共9页
In this paper molecular dynamics simulations are performed to study the accumulation behaviour of N2 and H2 at water/graphite interface under ambient temperature and pressure. It finds that both N2 and H2 molecules ca... In this paper molecular dynamics simulations are performed to study the accumulation behaviour of N2 and H2 at water/graphite interface under ambient temperature and pressure. It finds that both N2 and H2 molecules can accumulate at the interface and form one of two states according to the ratio of gas molecules number to square of graphite surface from our simulation results: gas films (pancake-like) for a larger ratio and nanobubbles for a smaller ratio. In addition, we discuss the stabilities of nanobubbles at different environment temperatures. Surprisingly, it is found that the density of both kinds of gas states can be greatly increased, even comparable with that of the liquid N2 and liquid H2. The present results are expected to be helpful for the understanding of the stable existence of gas film (pancake-like) and nanobubbles. 展开更多
关键词 nanobubbles and gas film hydrophobic interface molecular dynamics simulations high density
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Modeling and scenario prediction of a natural gas demand system based on a system dynamics method 被引量:7
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作者 Xian-Zhong Mu Guo-Hao Li Guang-Wen Hu 《Petroleum Science》 SCIE CAS CSCD 2018年第4期912-924,共13页
Based on the study of the relationship between structure and feedback of China’s natural gas demand system, this paper establishes a system dynamics model. In order to simulate the total demand and consumption struct... Based on the study of the relationship between structure and feedback of China’s natural gas demand system, this paper establishes a system dynamics model. In order to simulate the total demand and consumption structure of natural gas in China, we set up seven scenarios by changing some of the parameters of the model. The results showed that the total demand of natural gas would increase steadily year by year and reach in the range from 3600 to 4500 billion cubic meters in 2035. Furthermore, in terms of consumption structure, urban gas consumption would still be the largest term, followed by the gas consumption as industrial fuel, gas power generation and natural gas chemical industry. In addition, compared with the population growth, economic development still plays a dominant role in the natural gas demand growth, the impact of urbanization on urban gas consumption is significant, and the promotion of natural gas utilization technology can effectively reduce the total consumption of natural gas. 展开更多
关键词 Natural gas demand system System dynamics Scenario prediction Consumption structure
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VANISHING VISCOSITY FOR NON-ISENTROPIC GAS DYNAMICS WITH INTERACTING SHOCKS 被引量:5
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作者 施小丁 雍燕 张英龙 《Acta Mathematica Scientia》 SCIE CSCD 2016年第6期1699-1720,共22页
In this paper, we study the vanishing viscosity limit for non-isentropic gas dy- namics with interacting shocks. Given any entropy solution of non-isentropic gas dynamics which consists of two different families of sh... In this paper, we study the vanishing viscosity limit for non-isentropic gas dy- namics with interacting shocks. Given any entropy solution of non-isentropic gas dynamics which consists of two different families of shocks interacting at some positive time, we show that such solution is the vanishing viscosity limit of a family of smooth global solutions for a viscous system of conservation law. We remark that, after the interacting time, not only shocks but also contact discontinuity are generated. 展开更多
关键词 vanishing viscosity non-isentropic gas dynamics interacting shock contactdiscontinuity
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Efficient and Stable Perovskite Solar Cells and Modules Enabled by Tailoring Additive Distribution According to the Film Growth Dynamics
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作者 Mengen Ma Cuiling Zhang +5 位作者 Yujiao Ma Weile Li Yao Wang Shaohang Wu Chong Liu Yaohua Mai 《Nano-Micro Letters》 SCIE EI CAS 2025年第2期387-400,共14页
Gas quenching and vacuum quenching process are widely applied to accelerate solvent volatilization to induce nucleation of perovskites in blade-coating method.In this work,we found these two pre-crystallization proces... Gas quenching and vacuum quenching process are widely applied to accelerate solvent volatilization to induce nucleation of perovskites in blade-coating method.In this work,we found these two pre-crystallization processes lead to different order of crystallization dynamics within the perovskite thin film,resulting in the differences of additive distribution.We then tailor-designed an additive molecule named 1,3-bis(4-methoxyphenyl)thiourea to obtain films with fewer defects and holes at the buried interface,and prepared perovskite solar cells with a certified efficiency of 23.75%.Furthermore,this work also demonstrates an efficiency of 20.18%for the large-area perovskite solar module(PSM)with an aperture area of 60.84 cm^(2).The PSM possesses remarkable continuous operation stability for maximum power point tracking of T_(90)>1000 h in ambient air. 展开更多
关键词 gas quenching Additive distribution Buried passivation Blade coating Crystallization dynamics
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GLOBAL L~∞ SOLUTIONS TO SYSTEM OF ISENTROPIC GAS DYNAMICS IN A DIVERGENT NOZZLE WITH FRICTION 被引量:2
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作者 Qingyou SUN Yunguang LU 《Acta Mathematica Scientia》 SCIE CSCD 2019年第5期1213-1218,共6页
In this article, we study the global L^∞ entropy solutions for the Cauchy problem of system of isentropic gas dynamics in a divergent nozzle with a friction. Especially when the adiabatic exponent γ=3, we apply for ... In this article, we study the global L^∞ entropy solutions for the Cauchy problem of system of isentropic gas dynamics in a divergent nozzle with a friction. Especially when the adiabatic exponent γ=3, we apply for the maximum principle to obtain the L^∞ estimates w(ρ^δ,ε, u^δ,ε)≤ B(t) and z(ρ^δ,ε, u^δ,ε)≤ B(t) for the viscosity solutions (ρ^δ,ε, u^δ,ε), where B(t) is a nonnegative bounded function for any finite time t. This work, in the special case γ≥ 3, extends the previous works, which provided the global entropy solutions for the same Cauchy problem with the restriction w(ρ^δ,ε, u^δ,ε)≤ 0 or z(ρ^δ,ε, u^δ,ε)≤ 0. 展开更多
关键词 GLOBAL L^∞ solution ISENTROPIC gas dynamics source TERMS flux approximation compensated COMPACTNESS
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CONVERGENCE OF THE LAX-FRIEDRICHS SCHEME FOR ISENTROPIC GAS DYNAMICS (Ⅰ) 被引量:8
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作者 丁夏畦 陈贵强 罗佩珠 《Acta Mathematica Scientia》 SCIE 1985年第4期415-432,共18页
A compactness frame of the Lax-Friedrichs scheme for the equations of gas dynamics is obtained by using some embedding theorems and an analysis of the difference scheme and the weak entropy.
关键词 CONVERGENCE OF THE LAX-FRIEDRICHS SCHEME FOR ISENTROPIC gas dynamics
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An RKDG finite element method for the one-dimensional inviscid compressible gas dynamics equations in a Lagrangian coordinate 被引量:2
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作者 赵国忠 蔚喜军 张荣培 《Chinese Physics B》 SCIE EI CAS CSCD 2013年第2期50-63,共14页
In this paper,Runge-Kutta Discontinuous Galerkin(RKDG) finite element method is presented to solve the onedimensional inviscid compressible gas dynamic equations in a Lagrangian coordinate.The equations are discreti... In this paper,Runge-Kutta Discontinuous Galerkin(RKDG) finite element method is presented to solve the onedimensional inviscid compressible gas dynamic equations in a Lagrangian coordinate.The equations are discretized by the DG method in space and the temporal discretization is accomplished by the total variation diminishing Runge-Kutta method.A limiter based on the characteristic field decomposition is applied to maintain stability and non-oscillatory property of the RKDG method.For multi-medium fluid simulation,the two cells adjacent to the interface are treated differently from other cells.At first,a linear Riemann solver is applied to calculate the numerical ?ux at the interface.Numerical examples show that there is some oscillation in the vicinity of the interface.Then a nonlinear Riemann solver based on the characteristic formulation of the equation and the discontinuity relations is adopted to calculate the numerical ?ux at the interface,which suppresses the oscillation successfully.Several single-medium and multi-medium fluid examples are given to demonstrate the reliability and efficiency of the algorithm. 展开更多
关键词 compressible gas dynamic equations RKDG finite element method Lagrangian coordinate multi- medium fluid
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Natural gas density under extremely high pressure and high temperature: Comparison of molecular dynamics simulation with corresponding state model 被引量:1
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作者 Luchao Jin Yongming He +3 位作者 Guobing Zhou Qiuhao Chang Liangliang Huang Xingru Wu 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2021年第3期2-9,共8页
This work applied molecular dynamics(MD)simulation to calculate densities of natural gas mixtures at extremely high pressure(>138 MPa)and high temperature(>200℃)conditions(x HPHT)to bridge the knowledge and tec... This work applied molecular dynamics(MD)simulation to calculate densities of natural gas mixtures at extremely high pressure(>138 MPa)and high temperature(>200℃)conditions(x HPHT)to bridge the knowledge and technical gaps between experiments and classical theories.The experimental data are scarce at these conditions which are also out of assumptions for classical predictive correlations,such as the Dranchuk&Abou-Kassem(DAK)equation of state(EOS).Force fields of natural gas components were carefully chosen from literatures and the simulation results are validated with experimental data.The largest relative error is 2.67%for pure hydrocarbons,2.99%for C1/C3 mixture,7.85%for C1/C4 mixture,and 8.47%for pure H2S.These satisfactory predictions demonstrate that the MD simulation approach is reliable to predict natural-and acid-gases thermodynamic properties.The validated model is further used to generate data for the study of the EOS with pressure up to 276 MPa and temperature up to 573 K.Our results also reveal that the Dranchuk&Abou-Kassem(DAK)EOS is capable of predicting natural gas compressibility to a satisfactory accuracy at x HPHT conditions,which extends the confidence range of the DAK EOS. 展开更多
关键词 High-pressure high temperature Z-factor Molecular dynamics simulation Natural gas density CORRELATIONS
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A SUPPLEMENT TO THE PAPERS CONVERGENCE OF THE LAX-FRIEDRICHS SCHEME FOR ISENTROPIC GAS DYNAMICS (Ⅱ)-(Ⅲ) 被引量:3
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作者 丁夏畦 陈贵强 罗佩珠 《Acta Mathematica Scientia》 SCIE CSCD 1989年第1期43-44,共2页
In the papers (Ⅱ)—(Ⅲ), we studied the global existence of the solutions for the isentropic equation of gas dynamics
关键词 A SUPPLEMENT TO THE PAPERS CONVERGENCE OF THE LAX-FRIEDRICHS SCHEME FOR ISENTROPIC gas dynamics
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A novel method for calculating the dynamic reserves of tight gas wells considering stress sensitivity
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作者 Chang-Hao Chen Jing Luo +7 位作者 Jian Cao Jing Liang Xu-cheng Li Ting-kuan Cao Ya-hui Xu Lin-Feng Cai Peng Yu Tan-Yin Zhu 《Earth Energy Science》 2025年第1期1-8,共8页
The precision of dynamic reserve calculations in gas reservoirs is crucial for the rational and efficient development of oil and gas fields and the formulation of gas well production plans.The Shaximiao gas reservoir ... The precision of dynamic reserve calculations in gas reservoirs is crucial for the rational and efficient development of oil and gas fields and the formulation of gas well production plans.The Shaximiao gas reservoir in the ZT block of northwestern Sichuan is densely packed and highly heterogeneous,featuring complex gas-water distribution,substantial variations in test production among gas wells,and a rapid decline rate.To precisely determine the dynamic reserves of these tight water-bearing gas wells,this study focuses on the water-tight gas reservoirs in the ZT block of northwestern Sichuan,conducting core X-ray diffraction,constant-rate mercury injection,and reservoir rock stress sensitivity experiments.Utilizing the experimental findings,the porosity and permeability of the rock samples under effective stress conditions are adjusted via binary linear regression.These adjusted parameters are then incorporated into the water-sealed gas material balance method,thereby establishing a novel approach for calculating dynamic reserves in water-tight gas reservoirs under stress sensitivity conditions.The results show that:(1)the rock porosity ranges from 6.08%to 10.22%,permeability ranges from 0.035 mD to 0.547 mD,clay mineral content ranges from 6.58%to 19.14%,pore radius distribution ranges from 90μm to 180μm,throat radius distribution ranges from 0.61μm to 3.41μm,with significant differences in throat distribution,indicating poor reservoir fluid flow capacity and strong tightness;(2)after aging experiments,rock samples exhibit plastic deformation,with porosity and permeability unable to fully recover after pressure relief.The stress sensitivity curve of rock samples shows a two-stage characteristic,with moderate to strong stress sensitivity;(3)porosity stress sensitivity is mainly influenced by pore radius and mineral composition-larger pore radius and higher clay content lead to stronger stress sensitivity,with porosity loss rates ranging from 8.26%to 23.69%.Permeability stress sensitivity is mainly influenced by throat radius and mineral composition-smaller throat radius and higher clay content result in stronger stress sensitivity,with permeability loss rates ranging from 47.91%to 62.03%;(4)a comparative analysis between the traditional dynamic reserve calculation method for gas wells and the new method considering stress sensitivity shows a relative error between 0.90%and 2.41%,with the new method demonstrating better accuracy.This study combines physical experimental results with an effective stress model of reservoir rocks to develop a new method for calculating dynamic reserves of water-bearing tight gas reservoirs under effective stress conditions,providing experimental data and example calculation results to support subsequent dynamic evaluation of gas reservoirs and the establishment of rational well allocation plans. 展开更多
关键词 dynamic gas reserves Stress sensitivity Binary linear regression Tight gas reservoir Effective stress
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Research on a dynamic early warning model for gas outbursts using adaptive fractal dimension characterization
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作者 Jie Chen Wenhao Shi +9 位作者 Yichao Rui Junsheng Du Xiaokang Pan Xiang Peng Xusheng Zhao Qingfeng Wang Deping Guo Yulin Zou Dafa Yin Yuanbin Luo 《International Journal of Mining Science and Technology》 2025年第8期1245-1257,共13页
To address the issues of single warning indicators,fixed thresholds,and insufficient adaptability in coal and gas outburst early warning models,this study proposes a dynamic early warning model for gas outbursts based... To address the issues of single warning indicators,fixed thresholds,and insufficient adaptability in coal and gas outburst early warning models,this study proposes a dynamic early warning model for gas outbursts based on adaptive fractal dimension characterization.By analyzing the nonlinear characteristics of gas concentration data,an adaptive window fractal analysis method is introduced.Combined with boxcounting dimension and variation of box dimension metrics,a cross-scale dynamic warning model for disaster prevention is established.The implementation involves three key phases:First,wavelet denoising and interpolation methods are employed for raw data preprocessing,followed by validation of fractal characteristics.Second,an adaptive window cross-scale fractal dimension method is proposed to calculate the box-counting dimension of gas concentration,enabling effective capture of multi-scale complex features.Finally,dynamic threshold partitioning is achieved through membership functions and the 3σprinciple,establishing a graded classification standard for the mine gas disaster(MGD)index.Validated through engineering applications at Shoushan#1 Coal Mine in Henan Province,the results demonstrate that the adaptive window fractal dimension curve exhibits significantly enhanced fluctuation characteristics compared to fixed window methods,with local feature detection capability improved and warning accuracy reaching 86.9%.The research reveals that this model effectively resolves the limitations of traditional methods in capturing local features and dependency on subjective thresholds through multiindicator fusion and threshold optimization,providing both theoretical foundation and practical tool for coal mine gas outburst early warning. 展开更多
关键词 gas outburst Fractal characteristics Adaptive fractal method dynamic warning model
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Semi-analytical assessment of dynamic sealing capacity of underground gas storage:A case of Songliao Basin,Northeastern China
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作者 Caoxuan Wen Shanpo Jia +5 位作者 Xiaofei Fu Guojun Wu Bintao Wang Junchang Sun Haijun He Xiangjun Zeng 《Journal of Rock Mechanics and Geotechnical Engineering》 2025年第5期2904-2927,共24页
The cyclic injection and production of fluids into and from underground gas storage(UGS)may lead to caprock failure,such as capillary sealing failure,hydraulic fracturing,shear failure,and fault slipping or dilation.T... The cyclic injection and production of fluids into and from underground gas storage(UGS)may lead to caprock failure,such as capillary sealing failure,hydraulic fracturing,shear failure,and fault slipping or dilation.The dynamic sealing capacity of a caprock-fault system is a critical constraint for safe operation,and is a key factor in determining the maximum operating pressure(MOP).This study proposed an efficient semi-analytical method for calculating changes in the in situ stress within the caprock.Next,the parameters of dynamic pore pressure,in situ stresses,and deformations obtained from reservoir simulations and geomechanical modeling were used for inputs for the analytical solution.Based on the calculated results,an experimental scheme for the coupled cyclic stress-permeability testing of caprock was designed.The stability analysis indicated that the caprock was not prone to fatigue shear failure under the current injection and production strategy,supported by the experimental results.The experimental results further reveal that the sealing capacity of caprock plugs may remain stable.This phenomenon is attributed to cyclic stress causing pore connectivity and microcrack initiation in certain plugs,while leading to pore compaction in others.A comparison between the dynamic pore pressure and the minimum principal stress suggests that the risk of tensile failure is extremely low.Furthermore,although the faults remain stable under the current injection and production strategies,the continuous increase in injection pressure may lead to an increased tendency for fault slip and dilation,which can cause fault slip ultimately.The MOPs corresponding to each failure mode were calculated.The minimum value of approximately 36.5 MPa at capillary sealing failure indicated that the gas breakthrough in the caprock occurred earlier than rock failure.Therefore,this minimumvalue can be used as the MOP for the target UGS. 展开更多
关键词 Underground gas storage Maximum operating pressure Caprock-fault system In situ stress Mechanical integrity dynamic sealing capacity
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DFT calculation for organic semiconductor-based gas sensors:Sensing mechanism,dynamic response and sensing materials
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作者 Zhongchao Zhou Jian Song +5 位作者 Yinghao Xie Yuqian Ma Hong Hu Hui Li Lei Zhang Charles H.Lawrie 《Chinese Chemical Letters》 2025年第6期108-118,共11页
Organic semiconductor materials have demonstrated extensive potential in the field of gas sensors due to the advantages including designable chemical structure,tunable physical and chemical properties.Through density ... Organic semiconductor materials have demonstrated extensive potential in the field of gas sensors due to the advantages including designable chemical structure,tunable physical and chemical properties.Through density functional theory(DFT)calculations,researchers can investigate gas sensing mechanisms,optimize,and predict the electronic structures and response characteristics of these materials,and thereby identify candidate materials with promising gas sensing applications for targeted design.This review concentrates on three primary applications of DFT technology in the realm of organic semiconductor-based gas sensors:(1)Investigating the sensing mechanisms by analyzing the interactions between gas molecules and sensing materials through DFT,(2)simulating the dynamic responses of gas molecules,which involves the behavior on the sensing interface using DFT combined with other computational methods to explore adsorption and diffusion processes,and(3)exploring and designing sensitive materials by employing DFT for screening and predicting chemical structures,thereby developing new sensing materials with exceptional performance.Furthermore,this review examines current research outcomes and anticipates the extensive application prospects of DFT technology in the domain of organic semiconductor-based gas sensors.These efforts are expected to provide valuable insights for further indepth exploration of DFT applications in sensor technology,thereby fostering significant advancements and innovations in the field. 展开更多
关键词 Density functional theory(DFT) Organic semiconductor-based gas sensors Sensing mechanism dynamic response Sensing materials
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STRONG SHOCKS IN NONISENTROPIC GAS DYNAMICS
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作者 Constantine M. Dafermos 《Acta Mathematica Scientia》 SCIE CSCD 2009年第4期973-979,共7页
In nonisentropic gas dynamics, with general equations of state, strong cornpressive shocks satisfying the Liu E-condition may violate the Second Law of thermodynamics.
关键词 gas dynamics ENTROPY Lax E-condition Liu E-condition
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THE VACUUM IN NONISENTROPIC GAS DYNAMICS
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作者 Geng Chen Robin Young 《Acta Mathematica Scientia》 SCIE CSCD 2012年第1期339-351,共13页
We investigate the vacuum in nonisentropic gas dynamics in one space vari- able, with the most general equation of states allowed by thermodynamics. We recall physical constraints on the equations of state and give ex... We investigate the vacuum in nonisentropic gas dynamics in one space vari- able, with the most general equation of states allowed by thermodynamics. We recall physical constraints on the equations of state and give explicit and easily checkable conditions under which vacuums occur in the solution of the Riemann problem. We then present a class of models for which the Riemann problem admits unique global solutions without vacuums. 展开更多
关键词 nonisentropic gas dynamics conservation laws VACUUM large data Riemann problem
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EVOLUTION AND INTERACTION OF δ-WAVES IN THE ZERO-PRESSURE GAS DYNAMICS SYSTEM
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作者 Abhishek DAS K.T.JOSEPH 《Acta Mathematica Scientia》 SCIE CSCD 2024年第5期1801-1836,共36页
Evolution and interaction of plane waves of the multidimensional zero-pressure gas dynamics system leads to the study of the corresponding one dimensional system.In this paper,we study the initial value problem for on... Evolution and interaction of plane waves of the multidimensional zero-pressure gas dynamics system leads to the study of the corresponding one dimensional system.In this paper,we study the initial value problem for one dimensional zero-pressure gas dynamics system.Here the first equation is the Burgers equation and the second one is the continuity equation.We consider the solution with initial data in the space of bounded Borel measures.First we prove a general existence result in the algebra of generalized functions of Colombeau.Then we study in detail special solutions withδ-measures as initial data.We study interaction of waves originating from initial data concentrated on two point sources and interaction with classical shock/rarefaction waves.This gives an understanding of plane-wave interactions in the multidimensional case.We use the vanishing viscosity method in our analysis as this gives the physical solution. 展开更多
关键词 zero-pressure gas dynamics delta-waves interaction of waves
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