To better understand the benzene alkylation with chloroaluminate ionic liquids(ILs) as catalyst, the interfacial properties between the benzene/butene binary reactants and chloroaluminate ILs with varying cation alkyl...To better understand the benzene alkylation with chloroaluminate ionic liquids(ILs) as catalyst, the interfacial properties between the benzene/butene binary reactants and chloroaluminate ILs with varying cation alkyl chain length and different anions were investigated using molecular dynamics(MD) simulations. The results indicate that ILs can obviously improve the interfacial width, solubility and diffusion of reactants compared to H_(2)SO_(4). The longer alkyl chains of cations present a density enrichment at the interface and protrude into the binary reactants phase. Furthermore, the ILs consisting of 1-octyl-3-methylimidazolium cations([Omim]^(+)) and the stronger acidity heptachlorodialuminate anions([Al_(2)Cl_(7)]^(-)) are more beneficial to promote the interfacial width and facilitate the dissolution and diffusion of benzene in both the IL bulk and the interfacial region in comparison to the ones with shorter alkyl chains cations and weaker acidity anions. The information gives us a better guideline for the design of ILs for benzene alkylation.展开更多
This review summarizes recent progress in the study of impinging-jet dynamics and atomization,with a focus on liquid sheet formation,instability mechanisms,and the influence of key parameters such as fluid properties,...This review summarizes recent progress in the study of impinging-jet dynamics and atomization,with a focus on liquid sheet formation,instability mechanisms,and the influence of key parameters such as fluid properties,Weber number,and Reynolds number.Special attention is given to atomization behaviors under high pressure and external perturbations.Representative experimental and numerical approaches are introduced,and critical findings under complex conditions are highlighted.In addition,practical applications of impinging-jet technology in aerospace propulsion,biomedical devices,and energy science are discussed.This review aims to serve as a concise reference for researchers interested in multiphase flow dynamics and engineering applications of impinging jets.展开更多
Sound speed is essential for leakage detection in liquid pipelines when using acoustic methods,which can be significantly influenced by gas bubbles generated from leakage.The propagation characteristics and mechanism ...Sound speed is essential for leakage detection in liquid pipelines when using acoustic methods,which can be significantly influenced by gas bubbles generated from leakage.The propagation characteristics and mechanism of acoustic waves in horizontal liquid pipelines containing gas bubbles are studied in detail in the present paper.The effect of sound wave frequency,bubble size and bubble distribution pattern on sound speed is studied through numerical simulations.The results show that the acoustic wave generated by leakage of liquid pipelines containing gas bubbles is a multi-frequency signal,and the energy of the signal is mainly concentrated within 200 Hz.In the low-frequency range,the propagation of sound waves has almost no dispersion in bubbly liquid.Sound speed at a certain void fraction is not constant,which is related to the bubble size and distribution pattern.The bubble size affects the gasliquid heat transfer equilibrium,during which sound speed is affected.For this reason,a thermodynamic correction factor is proposed,which enables the accuracy of the sound speed calculation to reach98.2%.What's more,sound speed increases non-linearly with the reduction of the bubble distribution space in the pipeline axial direction.This paper establishes a theoretical calculation model of sound speed based on the bubble distribution pattern in the pipeline axial direction,which is in good agreement with the numerical calculation results.The results of this paper provide the basis for applying acoustic leak detection technology in liquid pipelines containing gas bubbles.展开更多
The global rapid transition towards sustainable energy systems has heightened the demand for highperformance lithium metal batteries(LMBs),where understanding interfacial phenomena is paramount.In this contribution,we...The global rapid transition towards sustainable energy systems has heightened the demand for highperformance lithium metal batteries(LMBs),where understanding interfacial phenomena is paramount.In this contribution,we present an on-the-fly machine learning molecular dynamics(OTF-MLMD)approach to probe the complex side reactions at lithium metal anode–electrolyte interfaces with exceptional accuracy and computational efficiency.The machine learning force field(MLFF)was firstly validated in a bulk-phase system comprising twenty 1,2-dimethoxyethane(DME)molecules,demonstrating energy fluctuations and structural parameters in close agreement with ab initio molecular dynamics(AIMD)benchmarks.Subsequent simulations of lithium–DME and lithium–electrolyte interfaces revealed minimal discrepancies in energy,bond lengths,and net charge variations(notably in FSI-species),underscoring the method's DFT-level precision of the approach.A further small-scale interfacial model enabled on-the-fly training over a mere of 340 fs,which was then successfully transferred to a large-scale simulation encompassing nearly 300,000 atoms,representing the largest interfacial model in LMB research up to date.The hierarchical validation strategy not only establishes the robustness of the MLFF in capturing both interfacial and bulk-phase chemistry but also paves the way for statistically meaningful simulations of battery interfaces.The fruitful findings highlight the transformative potential of OTF-MLMD in bridging the gap between atomistic accuracy and macroscopic modeling,affording a universal approach to understand interfacial reactions in LMBs.展开更多
Gas wells often encounter blockages in gas recovery channels owing to fluid accumulation during the later stages of extraction,which adversely affects subsequent recovery efforts.These undesirable conditions(e.g.,high...Gas wells often encounter blockages in gas recovery channels owing to fluid accumulation during the later stages of extraction,which adversely affects subsequent recovery efforts.These undesirable conditions(e.g.,high condensate content,high temperature,and high salinity)often affect foaming agent performance.In this study,surfactants were screened using an airflow method that closely resembles field treatment method.Notably,alcohol ether sulfates(AE_(n)S)with various polyoxyethylene(EO)units demonstrated exceptional performance in terms of liquid unloading efficiency and foam stability.At 80℃,the unloading efficiency of AE_(n)S with two EO units(AE_(2)S)in a high NaCl mass concentration(up to 200 g/L)and high condensate volume fraction(up to 20%)reached 84%.The dynamic surface tension and interfacial tension measured at the same temperature were used to analyze the influence of the diffusion rate and interfacial characteristics on the AE_(n)S foam,while the viscosity and liquid film thickness measurements reflected the mechanical strength and liquid-carrying capacity.In addition,transmission electron microscopy(TEM)revealed that AE_(2)S formed“dendritic”micellar aggregates at a high NaCl mass concentration,which significantly enhanced the viscosity and stability of the foam.The interactions among AE_(n)S,NaCl,and H2O were analyzed using molecular dynamics,and it was confirmed from a molecular mechanics perspective that a stable structure can form among the three,contributing to the foam stability.These findings demonstrate the significant potential of the AE_(2)S foam for gas well deliquification.展开更多
In the present work,the turbulent mixing process of a polydisperse quartz particle flow with a plasma stream generated by a radio-frequency(RF)inductively coupled plasma torch was numerically studied.The thermobaric s...In the present work,the turbulent mixing process of a polydisperse quartz particle flow with a plasma stream generated by a radio-frequency(RF)inductively coupled plasma torch was numerically studied.The thermobaric stress in the quartz particles under dynamic heating in a heterogeneous plasma flow was determined by a two-stage approximation approach.The effect of the presence of vacuoles in natural quartz on the particle thermobaric destruction conditions was studied.It was found that the equivalent thermal and baric stresses in quartz particles may significantly increase in the presence of vacuoles within a small gas volume fraction.The influence of the regime and energetic working conditions of an RF inductively coupled plasma torch system on the particle thermobaric destruction conditions was examined,and a recommendation was given to promote the degree of thermobaric destruction of quartz particles,which is of substantial importance for improving the overall enrichment efficiency of quartz concentrates.展开更多
Molecular dynamics simulations are performed to observe the evolutions of 512 and 51262 cage-like water clusters filled with or without a methane molecule immersed in bulk liquid water at 250 K and 230 K. The lifetime...Molecular dynamics simulations are performed to observe the evolutions of 512 and 51262 cage-like water clusters filled with or without a methane molecule immersed in bulk liquid water at 250 K and 230 K. The lifetimes of these clusters are calculated according to their Lindemann index δ (t) using the criteria of δ≥0.07. For both the filled and empty clusters, we find the dynamics of bulk water determines the lifetimes of cage-like water clusters, and that the lifetime of 512 62 cage-like cluster is the same as that of 512 cage-like cluster. Although the methane molecule indeed makes the filled cage-like cluster more stable than the empty one, the empty cage-like cluster still has chance to be long-lived compared with the filled clusters. These observations support the labile cluster hypothesis on the formation mechanisms of gas hydrates.展开更多
Impinging-jet injectors are widely used in liquid propulsion applications, since their simple configuration provides reliable and efficient atomization. The flowfield involves a series of complicated spatio-temporal e...Impinging-jet injectors are widely used in liquid propulsion applications, since their simple configuration provides reliable and efficient atomization. The flowfield involves a series of complicated spatio-temporal evolutions. Much effort has been directed toward understanding the underlying physics and developing quantitative predictions of impinging-jet atomization. This paper summarizes the recent advances in this direction, including state-of-the-art theoretical, experimental, and numerical studies, along with representative results. Finally, concluding remarks address remaining challenges and highlight modeling capabilities of high-fidelity simulations.展开更多
A convenient,cost-effective and fast method using dynamic microwave-assisted extraction and liquid phase microextraction based on the solidification of a floating drop was proposed to analyze organochlorine pesticides...A convenient,cost-effective and fast method using dynamic microwave-assisted extraction and liquid phase microextraction based on the solidification of a floating drop was proposed to analyze organochlorine pesticides in grains including rice,maize and millet.Twelve samples can be processed simultaneously in the method.During the extraction process,10%acetonitrile-water solutions containing 110μL of n-hexadecane were used to extract organochlorine pesticides.Subsequently,1.0 g sodium chloride was placed in the extract,and then centrifuged and cooled.The n-hexadecane drops containing the analytes were solidifi ed and transferred for determination by gas chromatography-electron capture detector without any further filtration or cleaning process.Limits of detection for organochlorine pesticides were 0.97–1.01μg/kg and the RSDs were in the range of 2.6%–8.5%.The developed technology has succeeded in analyzing six real grains samples and the recoveries of the organochlorine pesticides were 72.2%–94.3%.Compared with the published extraction methods,the developed method was used to analyze organochlorine pesticides in grains,being more environmentally friendly,which is suitable for the daily determination of organochlorine pesticides.展开更多
The gas/liquid spiral separator, a key component in the compressed air system, was used to remove liquid and oil from gas stream by centrifugal and gravitational forces. To optimize the design of the separator,the rel...The gas/liquid spiral separator, a key component in the compressed air system, was used to remove liquid and oil from gas stream by centrifugal and gravitational forces. To optimize the design of the separator,the relationship between the performance and structural parameters of separators is studied. Computational fluid dynamics (CFD) method is employed to simulate the flow fields and calculate the pressure drop and separation efficiency of air-liquid spiral separators with different structural parameters. The RSM (Reynolds stress model)turbulence model is used to analyze the highly swirling flow fields while the stochastic trajectory model is used to simulate the traces of liquid droplets in the flow field. A simplified calculation formula of pressure drop in spiral structures is obtained by modifying Darcy's equation and verified by experiment.展开更多
In this paper,an improved computational fluid dynamic(CFD)model for gas-liquid flow in bubble column was developed using the one-equation Wary-Agarwal(WA)turbulence model coupled with the population balance model(PBM)...In this paper,an improved computational fluid dynamic(CFD)model for gas-liquid flow in bubble column was developed using the one-equation Wary-Agarwal(WA)turbulence model coupled with the population balance model(PBM).Through 18 orthogonal test cases,the optimal combination of interfacial force models,including drag force,lift force,turbulent dispersion force.The modified wall lubrication force model was proposed to improve the predictive ability for hydrodynamic behavior near the wall of the bubble column.The values simulated by optimized CFD model were in agreement with experimental data,and the errors were within±20%.In addition,the axial velocity,turbulent kinetic energy,bubble size distribution,and the dynamic characteristic of bubble plume were analyzed at different superficial gas velocities.This research work could provide a theoretical basis for the extension of the CFD-PBM coupled model to other multiphase reactors..展开更多
In order to obtain the dynamic characteristics of a differential piston warm gas selfpressurization system for liquid attitude and divert propulsion system, a transient model is developed using the modular modeling me...In order to obtain the dynamic characteristics of a differential piston warm gas selfpressurization system for liquid attitude and divert propulsion system, a transient model is developed using the modular modeling method. The system includes the solid start cartridge,pressure-amplified tank with liquid monopropellant, liquid regulator, gas generator, and pipes.The one-dimensional finite-element state-variable model is applied to the pipes and the lumped parameter method is adopted for the other modules. The variations of the system operation parameters over time during the startup, steady-state, and pulsing operational processes are obtained from the transient model, and the characteristics of starting time changing with different system parameters are also analyzed. It is shown that the system startup process can be divided into three distinct processes. The starting time monotonically changes with variations of the liquid regulator parameters, first decreasing and then increasing with the mass change of the solid propellant charge of the start cartridge, initial gas cavity volume of the pressure amplified tank and initial gas cushion of the propellant tank. The starting time can be reduced to less than 1.0 s（0.68–0.75 s for the current system）. For meeting the deviation requirements of ±10% of the steady-state propellant tank pressure, the positive deviation requirement is assured by the self-locking pressure and the negative deviation can be assured within an allowable maximum propellant tank volume flowrate（1.6 times the design value for the proposed system） for downstream thrusters for a designed system. The results from the simulation are useful as a guide for further system design and testing.展开更多
The study of liquid film characteristics in multiphase flow is a very important research topic, however,the characteristics of the liquid film around Taylor bubble structure in gas, oil and water three-phase flow are ...The study of liquid film characteristics in multiphase flow is a very important research topic, however,the characteristics of the liquid film around Taylor bubble structure in gas, oil and water three-phase flow are not clear. In the present study, a novel liquid film sensor is applied to measure the distributed signals of the liquid film in three-phase flow. Based on the liquid film signals, the liquid film characteristics including the structural characteristics and the nonlinear dynamics characteristics in three-phase flows are investigated for the first time. The structural characteristics including the proportion, the appearance frequency and the thickness of the liquid film are obtained and the influences of the liquid and gas superficial velocities and the oil content on them are investigated. To investigate the nonlinear dynamics characteristics of the liquid film with the changing flow conditions, the entropy analysis is introduced to successfully uncover and quantify the dynamic complexity of the liquid film behavior.展开更多
Based on the assumption of gas-liquid stratified flow pattern in inclined gas wells,considering the influence of wettability and surface tension on the circumferential distribution of liquid film along the wellbore wa...Based on the assumption of gas-liquid stratified flow pattern in inclined gas wells,considering the influence of wettability and surface tension on the circumferential distribution of liquid film along the wellbore wall,the influence of the change of the gas-liquid interface configuration on the potential energy,kinetic energy and surface free energy of the two-phase system per unit length of the tube is investigated,and a new model for calculating the gas-liquid distribution at critical conditions is developed by using the principle of minimum energy.Considering the influence of the inclination angle,the calculation model of interfacial friction factor is established,and finally closed the governing equations.The interface shape is more vulnerable to wettability and surface tension at a low liquid holdup,resulting in a curved interface configuration.The interface is more curved when the smaller is the pipe diameter,or the smaller the liquid holdup,or the smaller the deviation angle,or the greater gas velocity,or the greater the gas density.The critical liquid-carrying velocity increases nonlinearly and then decreases with the increase of inclination angle.The inclination corresponding to the maximum critical liquid-carrying velocity increases with the increase of the diameter of the wellbore,and it is also affected by the fluid properties of the gas phase and liquid phase.The mean relative errors for critical liquid-carrying velocity and critical pressure gradient are 1.19%and 3.02%,respectively,and the misclassification rate is 2.38%in the field trial,implying the new model can provide a valid judgement on the liquid loading in inclined gas wells.展开更多
CONSPECTUS:Multiphase reactions combining gas and liquid phases and a solid catalyst are widespread in the chemical industry.The reactions are typically affected by the low gas solubility in liquids and poor mass tran...CONSPECTUS:Multiphase reactions combining gas and liquid phases and a solid catalyst are widespread in the chemical industry.The reactions are typically affected by the low gas solubility in liquids and poor mass transfer from the gas phase to the liquid,especially for fast reactions,leading to much lower activity than the intrinsic catalytic activity.In practice,high pressure,temperature,and cosolvents are required to increase the gas solubility and boost the reaction rate.展开更多
Horizontal wells play a crucial role in enhancing shale gas reservoir production.This study employs transient multiphase simulation to investigate the impact of well trajectory on production optimization throughout a ...Horizontal wells play a crucial role in enhancing shale gas reservoir production.This study employs transient multiphase simulation to investigate the impact of well trajectory on production optimization throughout a well’s life cycle.The research uses OLGATM as a simulator to examine six well trajectories:toe-up,toe-down,smooth horizontal,undulated toe-up,undulated toe-down,and undulated horizontal.Initial findings indicate comparable production rates across different trajectories during the early production phase,with toe-up wells showing slightly better performances due to minimal slugging.However,as the reservoir pressure decreases,the well trajectory significantly influences production.Horizontal wells achieve the highest accumulated gas production rates due to minimal liquid holdup and back pressure.Toe-up wells experience early liquid accumulation and severe slugging,leading to increased back pressure and smaller production.The study highlights the positive effects of lateral undulations on toe-up and toe-down wells in terms of liquid unloading,however some emphasis is also put on their adverse influence on horizontal wells.展开更多
Benzene alkylation catalyzed by immobilized ionic liquids(ILs)on solid carriers is considered as a heterogeneous reaction,in which the interfacial properties play an important role.Hence,the interfacial characteristic...Benzene alkylation catalyzed by immobilized ionic liquids(ILs)on solid carriers is considered as a heterogeneous reaction,in which the interfacial properties play an important role.Hence,the interfacial characteristics between benzene/1-dodecene mixture and immobilized chloroaluminate ILs with different alkyl chain length on the silica substrate were investigated by molecular dynamics simulation.The grafted ILs can obviously promote the enrichment of benzene near the interface,leading to a higher ratio of benzene to dodecene,and the interfacial width increases slightly with increased alkyl chain of grafted cations.At the same time,the grafted cations can also enhance the benzene diffusion and suppress the dodecene diffusion at the interface,which probably helps to inhibit the inactivation of catalysts.This work provides deeply insights into the rational design of novel immo-bilized ILs catalysts for the benzene alkylation.展开更多
基金The financial support by State Key Laboratory of Heavy Oil Processing, China University of Petroleum。
文摘To better understand the benzene alkylation with chloroaluminate ionic liquids(ILs) as catalyst, the interfacial properties between the benzene/butene binary reactants and chloroaluminate ILs with varying cation alkyl chain length and different anions were investigated using molecular dynamics(MD) simulations. The results indicate that ILs can obviously improve the interfacial width, solubility and diffusion of reactants compared to H_(2)SO_(4). The longer alkyl chains of cations present a density enrichment at the interface and protrude into the binary reactants phase. Furthermore, the ILs consisting of 1-octyl-3-methylimidazolium cations([Omim]^(+)) and the stronger acidity heptachlorodialuminate anions([Al_(2)Cl_(7)]^(-)) are more beneficial to promote the interfacial width and facilitate the dissolution and diffusion of benzene in both the IL bulk and the interfacial region in comparison to the ones with shorter alkyl chains cations and weaker acidity anions. The information gives us a better guideline for the design of ILs for benzene alkylation.
基金supported by the National Natural Science Foundation of China(Grant Nos.U23B6009 and 12272050).
文摘This review summarizes recent progress in the study of impinging-jet dynamics and atomization,with a focus on liquid sheet formation,instability mechanisms,and the influence of key parameters such as fluid properties,Weber number,and Reynolds number.Special attention is given to atomization behaviors under high pressure and external perturbations.Representative experimental and numerical approaches are introduced,and critical findings under complex conditions are highlighted.In addition,practical applications of impinging-jet technology in aerospace propulsion,biomedical devices,and energy science are discussed.This review aims to serve as a concise reference for researchers interested in multiphase flow dynamics and engineering applications of impinging jets.
基金supported by the National Natural Science Foundation of China[grant number 52274066]。
文摘Sound speed is essential for leakage detection in liquid pipelines when using acoustic methods,which can be significantly influenced by gas bubbles generated from leakage.The propagation characteristics and mechanism of acoustic waves in horizontal liquid pipelines containing gas bubbles are studied in detail in the present paper.The effect of sound wave frequency,bubble size and bubble distribution pattern on sound speed is studied through numerical simulations.The results show that the acoustic wave generated by leakage of liquid pipelines containing gas bubbles is a multi-frequency signal,and the energy of the signal is mainly concentrated within 200 Hz.In the low-frequency range,the propagation of sound waves has almost no dispersion in bubbly liquid.Sound speed at a certain void fraction is not constant,which is related to the bubble size and distribution pattern.The bubble size affects the gasliquid heat transfer equilibrium,during which sound speed is affected.For this reason,a thermodynamic correction factor is proposed,which enables the accuracy of the sound speed calculation to reach98.2%.What's more,sound speed increases non-linearly with the reduction of the bubble distribution space in the pipeline axial direction.This paper establishes a theoretical calculation model of sound speed based on the bubble distribution pattern in the pipeline axial direction,which is in good agreement with the numerical calculation results.The results of this paper provide the basis for applying acoustic leak detection technology in liquid pipelines containing gas bubbles.
基金supported by the National Key Research and Development Program(2021YFB2500300)the National Natural Science Foundation of China(T2322015,92472101,22393903,22393900,and 52394170)+1 种基金the Beijing Municipal Natural Science Foundation(L247015 and L233004)Tsinghua University Initiative Scientific Research Program。
文摘The global rapid transition towards sustainable energy systems has heightened the demand for highperformance lithium metal batteries(LMBs),where understanding interfacial phenomena is paramount.In this contribution,we present an on-the-fly machine learning molecular dynamics(OTF-MLMD)approach to probe the complex side reactions at lithium metal anode–electrolyte interfaces with exceptional accuracy and computational efficiency.The machine learning force field(MLFF)was firstly validated in a bulk-phase system comprising twenty 1,2-dimethoxyethane(DME)molecules,demonstrating energy fluctuations and structural parameters in close agreement with ab initio molecular dynamics(AIMD)benchmarks.Subsequent simulations of lithium–DME and lithium–electrolyte interfaces revealed minimal discrepancies in energy,bond lengths,and net charge variations(notably in FSI-species),underscoring the method's DFT-level precision of the approach.A further small-scale interfacial model enabled on-the-fly training over a mere of 340 fs,which was then successfully transferred to a large-scale simulation encompassing nearly 300,000 atoms,representing the largest interfacial model in LMB research up to date.The hierarchical validation strategy not only establishes the robustness of the MLFF in capturing both interfacial and bulk-phase chemistry but also paves the way for statistically meaningful simulations of battery interfaces.The fruitful findings highlight the transformative potential of OTF-MLMD in bridging the gap between atomistic accuracy and macroscopic modeling,affording a universal approach to understand interfacial reactions in LMBs.
文摘Gas wells often encounter blockages in gas recovery channels owing to fluid accumulation during the later stages of extraction,which adversely affects subsequent recovery efforts.These undesirable conditions(e.g.,high condensate content,high temperature,and high salinity)often affect foaming agent performance.In this study,surfactants were screened using an airflow method that closely resembles field treatment method.Notably,alcohol ether sulfates(AE_(n)S)with various polyoxyethylene(EO)units demonstrated exceptional performance in terms of liquid unloading efficiency and foam stability.At 80℃,the unloading efficiency of AE_(n)S with two EO units(AE_(2)S)in a high NaCl mass concentration(up to 200 g/L)and high condensate volume fraction(up to 20%)reached 84%.The dynamic surface tension and interfacial tension measured at the same temperature were used to analyze the influence of the diffusion rate and interfacial characteristics on the AE_(n)S foam,while the viscosity and liquid film thickness measurements reflected the mechanical strength and liquid-carrying capacity.In addition,transmission electron microscopy(TEM)revealed that AE_(2)S formed“dendritic”micellar aggregates at a high NaCl mass concentration,which significantly enhanced the viscosity and stability of the foam.The interactions among AE_(n)S,NaCl,and H2O were analyzed using molecular dynamics,and it was confirmed from a molecular mechanics perspective that a stable structure can form among the three,contributing to the foam stability.These findings demonstrate the significant potential of the AE_(2)S foam for gas well deliquification.
基金supported by National Natural Science Foundation of China(Nos.52202460,52177128)National Key R&D Program of China(Nos.2020YFC2201100,2021YFC2202804)+2 种基金China Postdoctoral Science Foundation(Nos.2021M690392,2021TQ0036)Science Foundation for Youth Scholars of the Beijing Institute of TechnologyAdvanced Space Propulsion Laboratory of BICE and the Beijing Engineering Research Centre of Efficient and Green Aerospace Propulsion Technology(No.LabASP-2021-04)。
文摘In the present work,the turbulent mixing process of a polydisperse quartz particle flow with a plasma stream generated by a radio-frequency(RF)inductively coupled plasma torch was numerically studied.The thermobaric stress in the quartz particles under dynamic heating in a heterogeneous plasma flow was determined by a two-stage approximation approach.The effect of the presence of vacuoles in natural quartz on the particle thermobaric destruction conditions was studied.It was found that the equivalent thermal and baric stresses in quartz particles may significantly increase in the presence of vacuoles within a small gas volume fraction.The influence of the regime and energetic working conditions of an RF inductively coupled plasma torch system on the particle thermobaric destruction conditions was examined,and a recommendation was given to promote the degree of thermobaric destruction of quartz particles,which is of substantial importance for improving the overall enrichment efficiency of quartz concentrates.
基金supported by the National Natural Science Foundation of China(Grant No.40102005 and No.49725205).
文摘Molecular dynamics simulations are performed to observe the evolutions of 512 and 51262 cage-like water clusters filled with or without a methane molecule immersed in bulk liquid water at 250 K and 230 K. The lifetimes of these clusters are calculated according to their Lindemann index δ (t) using the criteria of δ≥0.07. For both the filled and empty clusters, we find the dynamics of bulk water determines the lifetimes of cage-like water clusters, and that the lifetime of 512 62 cage-like cluster is the same as that of 512 cage-like cluster. Although the methane molecule indeed makes the filled cage-like cluster more stable than the empty one, the empty cage-like cluster still has chance to be long-lived compared with the filled clusters. These observations support the labile cluster hypothesis on the formation mechanisms of gas hydrates.
基金sponsored partly by the National Natural Science Foundation of China (Nos. 11772343 and 11402274)partly by the Beijing Institute of Technology Research Fund Program for Young Scholars
文摘Impinging-jet injectors are widely used in liquid propulsion applications, since their simple configuration provides reliable and efficient atomization. The flowfield involves a series of complicated spatio-temporal evolutions. Much effort has been directed toward understanding the underlying physics and developing quantitative predictions of impinging-jet atomization. This paper summarizes the recent advances in this direction, including state-of-the-art theoretical, experimental, and numerical studies, along with representative results. Finally, concluding remarks address remaining challenges and highlight modeling capabilities of high-fidelity simulations.
基金The study was financially supported by the National Science and Technology Support Program of China(Grant No.2013BAD16B08).
文摘A convenient,cost-effective and fast method using dynamic microwave-assisted extraction and liquid phase microextraction based on the solidification of a floating drop was proposed to analyze organochlorine pesticides in grains including rice,maize and millet.Twelve samples can be processed simultaneously in the method.During the extraction process,10%acetonitrile-water solutions containing 110μL of n-hexadecane were used to extract organochlorine pesticides.Subsequently,1.0 g sodium chloride was placed in the extract,and then centrifuged and cooled.The n-hexadecane drops containing the analytes were solidifi ed and transferred for determination by gas chromatography-electron capture detector without any further filtration or cleaning process.Limits of detection for organochlorine pesticides were 0.97–1.01μg/kg and the RSDs were in the range of 2.6%–8.5%.The developed technology has succeeded in analyzing six real grains samples and the recoveries of the organochlorine pesticides were 72.2%–94.3%.Compared with the published extraction methods,the developed method was used to analyze organochlorine pesticides in grains,being more environmentally friendly,which is suitable for the daily determination of organochlorine pesticides.
文摘The gas/liquid spiral separator, a key component in the compressed air system, was used to remove liquid and oil from gas stream by centrifugal and gravitational forces. To optimize the design of the separator,the relationship between the performance and structural parameters of separators is studied. Computational fluid dynamics (CFD) method is employed to simulate the flow fields and calculate the pressure drop and separation efficiency of air-liquid spiral separators with different structural parameters. The RSM (Reynolds stress model)turbulence model is used to analyze the highly swirling flow fields while the stochastic trajectory model is used to simulate the traces of liquid droplets in the flow field. A simplified calculation formula of pressure drop in spiral structures is obtained by modifying Darcy's equation and verified by experiment.
基金supported by the National Natural Science Foundation of China(22078009)National Key Research and Development Program of China(2021YFC3001102,2021YFC3001100)。
文摘In this paper,an improved computational fluid dynamic(CFD)model for gas-liquid flow in bubble column was developed using the one-equation Wary-Agarwal(WA)turbulence model coupled with the population balance model(PBM).Through 18 orthogonal test cases,the optimal combination of interfacial force models,including drag force,lift force,turbulent dispersion force.The modified wall lubrication force model was proposed to improve the predictive ability for hydrodynamic behavior near the wall of the bubble column.The values simulated by optimized CFD model were in agreement with experimental data,and the errors were within±20%.In addition,the axial velocity,turbulent kinetic energy,bubble size distribution,and the dynamic characteristic of bubble plume were analyzed at different superficial gas velocities.This research work could provide a theoretical basis for the extension of the CFD-PBM coupled model to other multiphase reactors..
文摘In order to obtain the dynamic characteristics of a differential piston warm gas selfpressurization system for liquid attitude and divert propulsion system, a transient model is developed using the modular modeling method. The system includes the solid start cartridge,pressure-amplified tank with liquid monopropellant, liquid regulator, gas generator, and pipes.The one-dimensional finite-element state-variable model is applied to the pipes and the lumped parameter method is adopted for the other modules. The variations of the system operation parameters over time during the startup, steady-state, and pulsing operational processes are obtained from the transient model, and the characteristics of starting time changing with different system parameters are also analyzed. It is shown that the system startup process can be divided into three distinct processes. The starting time monotonically changes with variations of the liquid regulator parameters, first decreasing and then increasing with the mass change of the solid propellant charge of the start cartridge, initial gas cavity volume of the pressure amplified tank and initial gas cushion of the propellant tank. The starting time can be reduced to less than 1.0 s（0.68–0.75 s for the current system）. For meeting the deviation requirements of ±10% of the steady-state propellant tank pressure, the positive deviation requirement is assured by the self-locking pressure and the negative deviation can be assured within an allowable maximum propellant tank volume flowrate（1.6 times the design value for the proposed system） for downstream thrusters for a designed system. The results from the simulation are useful as a guide for further system design and testing.
基金supported by the National Natural Science Foundation of China (42074142, 51527805, 41974139)China Postdoctoral Science Foundation (2020M680969, 2021T140099)the Fundamental Research Funds for the Central Universities (N2104013)。
文摘The study of liquid film characteristics in multiphase flow is a very important research topic, however,the characteristics of the liquid film around Taylor bubble structure in gas, oil and water three-phase flow are not clear. In the present study, a novel liquid film sensor is applied to measure the distributed signals of the liquid film in three-phase flow. Based on the liquid film signals, the liquid film characteristics including the structural characteristics and the nonlinear dynamics characteristics in three-phase flows are investigated for the first time. The structural characteristics including the proportion, the appearance frequency and the thickness of the liquid film are obtained and the influences of the liquid and gas superficial velocities and the oil content on them are investigated. To investigate the nonlinear dynamics characteristics of the liquid film with the changing flow conditions, the entropy analysis is introduced to successfully uncover and quantify the dynamic complexity of the liquid film behavior.
基金Supported by National Natural Science Foundation of China(21978171)。
文摘Based on the assumption of gas-liquid stratified flow pattern in inclined gas wells,considering the influence of wettability and surface tension on the circumferential distribution of liquid film along the wellbore wall,the influence of the change of the gas-liquid interface configuration on the potential energy,kinetic energy and surface free energy of the two-phase system per unit length of the tube is investigated,and a new model for calculating the gas-liquid distribution at critical conditions is developed by using the principle of minimum energy.Considering the influence of the inclination angle,the calculation model of interfacial friction factor is established,and finally closed the governing equations.The interface shape is more vulnerable to wettability and surface tension at a low liquid holdup,resulting in a curved interface configuration.The interface is more curved when the smaller is the pipe diameter,or the smaller the liquid holdup,or the smaller the deviation angle,or the greater gas velocity,or the greater the gas density.The critical liquid-carrying velocity increases nonlinearly and then decreases with the increase of inclination angle.The inclination corresponding to the maximum critical liquid-carrying velocity increases with the increase of the diameter of the wellbore,and it is also affected by the fluid properties of the gas phase and liquid phase.The mean relative errors for critical liquid-carrying velocity and critical pressure gradient are 1.19%and 3.02%,respectively,and the misclassification rate is 2.38%in the field trial,implying the new model can provide a valid judgement on the liquid loading in inclined gas wells.
基金the ERC grant Michelangelo(contract number#771586)and the EPSRC grant EP/W016826/1.
文摘CONSPECTUS:Multiphase reactions combining gas and liquid phases and a solid catalyst are widespread in the chemical industry.The reactions are typically affected by the low gas solubility in liquids and poor mass transfer from the gas phase to the liquid,especially for fast reactions,leading to much lower activity than the intrinsic catalytic activity.In practice,high pressure,temperature,and cosolvents are required to increase the gas solubility and boost the reaction rate.
基金supported by a postdoctoral project from PetroChina Southwest Oil and Gas Field Company,titled“Research on Flow Behavior of Horizontal Shale Gas Wellbore Based on Reservoir-Wellbore Coupling”(Project Number:2024D103-02-08).
文摘Horizontal wells play a crucial role in enhancing shale gas reservoir production.This study employs transient multiphase simulation to investigate the impact of well trajectory on production optimization throughout a well’s life cycle.The research uses OLGATM as a simulator to examine six well trajectories:toe-up,toe-down,smooth horizontal,undulated toe-up,undulated toe-down,and undulated horizontal.Initial findings indicate comparable production rates across different trajectories during the early production phase,with toe-up wells showing slightly better performances due to minimal slugging.However,as the reservoir pressure decreases,the well trajectory significantly influences production.Horizontal wells achieve the highest accumulated gas production rates due to minimal liquid holdup and back pressure.Toe-up wells experience early liquid accumulation and severe slugging,leading to increased back pressure and smaller production.The study highlights the positive effects of lateral undulations on toe-up and toe-down wells in terms of liquid unloading,however some emphasis is also put on their adverse influence on horizontal wells.
基金The financial support by State Key Laboratory of Heavy Oil Processing
文摘Benzene alkylation catalyzed by immobilized ionic liquids(ILs)on solid carriers is considered as a heterogeneous reaction,in which the interfacial properties play an important role.Hence,the interfacial characteristics between benzene/1-dodecene mixture and immobilized chloroaluminate ILs with different alkyl chain length on the silica substrate were investigated by molecular dynamics simulation.The grafted ILs can obviously promote the enrichment of benzene near the interface,leading to a higher ratio of benzene to dodecene,and the interfacial width increases slightly with increased alkyl chain of grafted cations.At the same time,the grafted cations can also enhance the benzene diffusion and suppress the dodecene diffusion at the interface,which probably helps to inhibit the inactivation of catalysts.This work provides deeply insights into the rational design of novel immo-bilized ILs catalysts for the benzene alkylation.
