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Insight into the interaction between water and surfactant aerosol particles based on molecular dynamics simulations

Particuology 2023年第6期77卷 128-135页

作者： Chao Zhang Zhichao Zhang Longxiang Bu Yang Yang Wei Xiong Yueshe Wang School of Energy and Power Engineering University of Shanghai for Science and TechnologyShanghai200093China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering University of Shanghai for Science and TechnologyShanghai200093China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an710049China

The ubiquitous surfactant significantly influences the hygroscopic growth of atmospheric aerosol ***,knowledge on the morphology of surfactant particles after the adsorption of water is *** this study,the interaction between water and particles composed of surface active malonic acid(MA)or adipic acid(AA)are simulated based on the molecular dynamics *** key point is the combined effect of temperature and water content on the structural properties of particles and the surface propensity of surfactants at the equilibrium *** show that demixed structure 1 with the adsorption of water clusters on acid grain,mixed structure and demixed structure 2 with acids coating on water droplet can be *** temperature increasing from 160 K to 330 K the surface propensity of MA and AA increases first and then *** the standard atmospheric temperature(280-330 K),the surface propensity of MA and AA increases with increasing water content and alkyl group,and its sensitivity to temperature and water content varies ***,all surfactants at the particle surface orient their hydrophobic groups toward the *** findings improve our insight into the surfactant partitioning and further assist in more accurate prediction of the particle hygroscopic growth.

关键词： Aerosol particles Surfactant Surface propensity Hygroscopic growth Molecular dynamics

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Extension of the pressure correction method to zero-Mach number compressible flows

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Science China(Technological Sciences) 2009年第6期52卷 1583-1595页

作者： HE YaLing HUANG Jing TAO YuBing TAO WenQuan State Key Laboratory of Multiphase Flow in Power Engineering School of Energy&Power EngineeringXi’an Jiaotong UniversityXi’an 710049China

In the present paper,the classical pressure correction method was extended into low Mach number compressible flow regime by integrating equation of state into SIMPLE *** self-developed code based on this algorithm was applied to predicting the lid-driven cavity flow and shock tube prob-lems,and the results showed good agreement with benchmark solutions and the Mach number can reach the magnitude of as low as *** attenuation of sound waves in viscous medium was then *** results agree well with the analytical solutions given by theoretical *** demonstrated that the present method could also be implemented in acoustics field simulation,which is crucial for thermoacoustic simulation.

关键词： thermoacoustic engine pressure correction method low Mach number compressible flow

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Ferrites boosting photocatalytic hydrogen evolution over graphitic carbon nitride: a case study of(Co, Ni)Fe_2O_4 modification

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Science Bulletin 2016年第4期61卷 292-301页

作者： Jie Chen Daming Zhao Zhidan Diao Miao Wang Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University

The charge cartier separation and surface catalytic redox reactions are of primary importance as elementary steps in photocatalytic hydrogen evolution. In this study, both of these two processes in photocatalytic hydrogen evolution over graphitic carbon nitride （g-C3N4） were greatly promoted with the earth-abundant ferrites （Co, Ni）Fe2O4 modification. CoFe2O4 was further demonstrated to be a better modifier for g-C3N4 as compared to NiFe2O4, due to the more efficient charge carrier transfer as well as superior surface oxidative catalytic activity. When together loading CoFe2O4 and reductive hydrogen production electrocatalyst Pt onto g-C3N4, the obtained Pt/g-C3N4/CoFe2O4 photocatalyst achieved visible-light （2 〉 420 nm） hydrogen production rate 3.5 times as high as Pt/g-C3N4, with the apparent quantum yield reaching 3.35 % at 420 nm.

关键词： Graphitic carbon nitride FerritesPhotocatalytic water splitting Solar hydrogenconversion

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Experimental and kinetic study on ignition delay times of methane/hydrogen/oxygen/nitrogen mixtures by shock tube

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Chinese Science Bulletin 2011年第26期56卷 2853-2861页

作者： ZHANG YingJia HUANG ZuoHua WEI LiangJie NIU ShaoDong State Key Laboratory of Multiphase Flow in Power Engineering Xi' an Jiaotong University Xi'an 710049 China

Ignition delay times of methane/hydrogen/oxygen/nitrogen mixtures with hydrogen amount-of-substance fractions ranging from 0–20% were measured in a shock tube *** ambient temperature varied from 1422 to 1877 K and the pressure was maintained at 0.4 MPa behind the reflected shock *** experiments were conducted at an equivalence ratio of *** fuel mixtures were diluted with nitrogen gas so that the nitrogen amount-of-substance fraction was 95%.The experimental ignition delay time of the CH4/H2 mixture decreased as the hydrogen amount-of-substance fraction *** enhancement of ignition by hydrogen addition was weak when the ambient temperature was >1750 K,and strong when the temperature was <1725 *** ignition delay time of 20% H2/80% CH4 was only one-third that of 100% CH4 at 1500 K.A modified model based on GRI-Mech 3.0 was proposed and used to calculate the ignition delay times of test *** calculated results agreed with the experimental ignition delay *** sensitivity analysis showed that HO·+H2 →H·+H2O was the main reaction for the formation of the H· at 1400 *** the hydrogen amount-of-substance fraction increased,chain branching was enhanced through the reaction H·+O2→O·+HO·,and this reduced the ignition delay *** 1800 K,the methyl radical (H3C·) became the key species that influenced the ignition of the CH4/H2/O2/N2 mixtures,and sensitivity coefficients of the chain termination reaction 2H3C·(+M)→C2H6(+M),and chain propagation reaction HO2+H3C·→HO·+CH3O decreased,which reduced the influence of hydrogen addition on the ignition of the CH4/H2 mixtures.

关键词：点火延迟时间混合物动力学激波管氢气实验氮气甲烷

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Supersonic shear layer characteristics of two fluids with a splitter plate

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International Journal of Advanced Nuclear Reactor Design and Technology 2021年 3卷 1-10页

作者： Bai, Yuping Hong, Yibo Zhao, Quanbin Chen, Weixiong Chong, Daotong State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

Supersonic shear layer development affects mixing between the primary and secondary fluids in a supersonic ejector substantially. The splitter plate plays a key role in shear layer development in the near-trailing-edge region. In this paper, supersonic shear layers with various splitter plate thicknesses are calculated and analyzed. Two types of instability modes are found when various splitter plate thicknesses are used. The shock wave strength and absolute unstable region determine the instability modes. Shock waves can limit instability development but an absolute unstable region promotes instability development. Velocity thickness growth rates are found to be the result of the merging process between two or more adjacent vortices in the transition region. The number of vortices that merge depends on the ratio of the vortex shedding and nature frequencies. The velocity thickness growth rates are larger under the local instability mode than under the global instability mode since three vortices merge under the former mode but two vortices merge under the latter. This study may provide a helpful reference for the design of supersonic ejectors. © 2021 Xi'an Jiaotong University

关键词： Vortex flow

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Measurement of laminar burning velocities and analysis of flame stabilities for hydrogen-air-diluent premixed mixtures

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Chinese Science Bulletin 2009年第5期54卷 846-857页

作者： HU ErJiang HUANG ZuoHua HE JiaJia JIN Chun MIAO HaiYan WANG XiBin State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China

The laminar burning velocities and Markstein lengths of the hydrogen-air-diluent mixtures were meas-ured at different equivalence ratios (0.4―1.5), different diluents (N2, CO2 and 15%CO2+85%N2) and di-lution ratios (0, 0.05, 0.10 and 0.15) by using the outwardly expanding flame. The influences of flame stretch rate on the flame propagation characteristics were analyzed. The results show that both the laminar burning velocities and the Markstein lengths of the hydrogen-air-diluent mixtures decrease with the increase of dilution ratio. The decrease in Markstein lengths means that adding diluents into the hydrogen-air mixtures will decrease the diffusional-thermal instability of the flame front. For a specified dilution ratio, the laminar burning velocities give their maximum values at an equivalence ratio of 1.8. The Markstein lengths increase with the increase of the equivalence ratio monotonously regardless of the diluents. The study shows that CO2 as the diluent has a greater impact on the laminar flame speed and the flame front stability than N2 as the diluent.

关键词：氢气空气混合火焰特性燃烧速度稳定性

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Spontaneous photoelectric field-enhancement effect prompts the low cost hierarchical growth of highly ordered heteronanostructures for solar water splitting

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Nano Research 2016年第6期9卷 1561-1569页

作者： Yankuan Wei Jinzhan Su XiaokangWan Liejin Guo Lionel Vayssieres International Research Center for Renewable Energy State Key Laboratory for Multiphase Flow in Power Engineering School of Energy &Power Engineering Xi'an Jiaotong University Xi'an 710049 China

In this study, a potentially universal new strategy is reported for the large-scale, low-cost fabrication of visible-light-active highly ordered heteronanostructures based on the spontaneous photoelectric-field-enhancement effect inherent in pyramidal morphology. The hierarchical vertically oriented arrayed structures comprise an active molecular co-catalyst at the apex of a visible-light-active large band gap semiconductor for low-cost solar water splitting in a neutral aqueous medium without the use of a sacrificial agent.

关键词： bismuth vanadate co-catalysts photocatalysis solar water splitting oxygen evolution

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Measurement of laminar burning velocities of iso-butanol-air mixtures

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Chinese Science Bulletin 2010年第19期55卷 2046-2056页

作者： FENG PengFei GU XiaoLei HUANG ZuoHua State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China

The laminar burning velocity of iso-butanol-air mixtures was measured under different initial pressures,initial temperatures and equivalence ratios using high-speed schlieren photography and outwardly propagation flame in a constant volume combustion *** on the analysis of stretched flame propagation speed and stretch rate,the laminar burning velocities and Markstein lengths of iso-butanol-air flames are *** accordance,with photos of flame,an analysis of flame stability and the influencing factors is carried *** results show that the laminar burning velocity is decreased with the increase of initial pressure and is increased with the increase of initial *** maximum value of laminar burning velocity is presented at the equivalence ratio of *** Markstein length is decreased with the increase of equivalence *** specified equivalence ratio,the Markstein length is decreased with the increase of initial temperature and initial ***,the flame instability is increased with the increase of equivalence ratio,initial temperature and initial pressure.

关键词：层流燃烧速度空气混合物速度测定异丁醇火焰传播速度初始压力初始温度当量比

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Impact of bimetallic synergies on Mo-doping NiFeOOH:Insights into enhanced OER activity and reconstructed electronic structure

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Frontiers in Energy 2024年第6期18卷 850-862页

作者： Jingkuo Qu Yuchen Dong Tuo Zhang Chang Zhao Liting Wei Xiangjiu Guan International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049China

NiFe(oxy)hydroxide(NiFeOOH)is recognized as a highly active non-precious metal catalyst in alkaline water electrolysis due to its exceptional catalytic *** this work,high valence molybdenum(Mo)is introduced to improve the electronic structure and enhance the electrical conductivity of NiFeOOH for oxygen evolution reaction(OER).The introduction of Mo results in a Mo-doped NiFeOOH catalyst with a significantly reduced overpotential of 205 mV at 10 mA/cm^(2)and a Tafel slope of 31.7 mV/dec,enabling stable operation for up to 170 *** empirical experiment and theory simulations are employed to gain insight into the 3d-electron interactions between molybdenum and nickel(Ni),iron(Fe)in Mo-doped *** results indicate that Mo-doping enhances the valence states of Ni and Fe,leading to a shift in the d-band center of the bimetallic active *** modification affects the transformation of Mo-doped NiFeOOH into theγ-NiFeOOH active *** potent combination lends credence to its potential suitability and utility in OER applications.

关键词： Mo doping NiFe(oxy)hydroxide(NiFeOOH) bimetallic synergies oxygen evolution reaction(OER) electronic structure

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Experimental and numerical investigation of two phase ejector performance with the water injected into the induced flow

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International Journal of Advanced Nuclear Reactor Design and Technology 2020年 2卷 15-24页

作者： Chen, WeiXiong Huang, ChenXi Bai, YuPing Chong, DaoTong Yan, JunJie Liu, JiPing State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

When injectors are used in petroleum industries or sea water desalination system, it is a special case that the induced gas is accompanied by water, the ejector is in two-phase operation. In the present study, the ejector performance at two phase flow is investigated experimentally and numerically. The results indicate that: the entrainment ratio would decrease when the water is injected into the induced flow, as well as the pressure ratio. The maximum decrement of entrainment ratio is around 40.5% at sub-critical mode when the motive pressure is 1.0 MPa, the induced pressure is 0.2 MPa, liquid-air ratio is 22%. For the pressure ratio, the maximum decrement is 62.5% when the motive pressure is 1.0 MPa, the induced pressure is 0.5 MPa, liquid-air ratio is 2.87%. However, the lower the induced pressure is, the more obvious the effect of mass flow rate on entrainment rate is, while the effect on pressure ratio is just opposite. Moreover, the performance becomes worse in sub-critical mode than that in critical mode. The effect of NXP on ejector performance also has been analyzed. There exists an optimum NXP whether the two phase flow ejector is in critical mode or sub-critical mode. The optimum NXP for entrainment ratio enlarges from 3.6 mm to 4.4 mm with the increase of water mass flowrate, and is bigger than that of single phase ejector (the optimum NXP is 2.8 mm). This study may provide a beneficial reference for the operation of supersonic ejectors on two phase flow. © 2020 Xi'an Jiaotong University

关键词： Two phase flow

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