The 70th anniversary of Dalian Institute of Chemical Physics (DICP), Chinese Academy of Sciences (CAS), has been celebrating in various ways through the year of 2019. DICP was established with the name of Scientific R...The 70th anniversary of Dalian Institute of Chemical Physics (DICP), Chinese Academy of Sciences (CAS), has been celebrating in various ways through the year of 2019. DICP was established with the name of Scientific Research Institute of Dalian University on March 19, 1949, which is even a little earlier than the foundation of the People's Republic of China (October 1, 1949). Since then, the name of the institute has changed several times in order to fulfill the assigned regional and national research mission. In 1970, the institute was named as the “Dalian Institute of Chemical Physics, Chinese Academy of Sciences”.展开更多
Dalian Institute of Chemical Physics(DICP) is a comprehensive chemical engineering research institute with strong international reputation, which has made significant contributions to national economic construction, n...Dalian Institute of Chemical Physics(DICP) is a comprehensive chemical engineering research institute with strong international reputation, which has made significant contributions to national economic construction, national security and the progress of science and technology(S&T).展开更多
Direct seawater electrolysis for hydrogen production has been regarded as a viable route to utilize surplus renewable energy and address the climate crisis.However,the harsh electrochemical environment of seawater,par...Direct seawater electrolysis for hydrogen production has been regarded as a viable route to utilize surplus renewable energy and address the climate crisis.However,the harsh electrochemical environment of seawater,particularly the presence of aggressive Cl^(-),has been proven to be prone to parasitic chloride ion oxidation and corrosion reactions,thus restricting seawater electrolyzer lifetime.Herein,hierarchical structure(Ni,Fe)O(OH)@NiCoS nanorod arrays(NAs)catalysts with heterointerfaces and localized oxygen vacancies were synthesized at nickel foam substrates via the combination of hydrothermal and annealing methods to boost seawater dissociation.The hiera rchical nanostructure of NiCoS NAs enhanced electrode charge transfer rate and active surface area to accelerate oxygen evolution reaction(OER)and generated sulfate gradient layers to repulsive aggressive Cl^(-).The fabricated heterostructure and vacancies of(Ni,Fe)O(OH)tuned catalyst electronic structure into an electrophilic state to enhance the binding affinity of hydroxyl intermediates and facilitate the structural transformation into amorphousγ-NiFeOOH for promoting OER.Furthermore,through operando electrochemistry techniques,we found that theγ-NiFeOOH possessing an unsaturated coordination environment and lattice-oxygen-participated OER mechanism can minimize electrode Cl^(-)corrosion enabled by stabilizing the adsorption of OH*intermediates,making it one of the best OER catalysts in the seawater medium reported to date.Consequently,these catalysts can deliver current densities of 100 and 500 mA cm-2for boosting OER at minimal overpotentials of 245and 316 mV,respectively,and thus prevent chloride ion oxidation simultaneously.Impressively,a highly stable anion exchange membrane(AEM)seawater electrolyzer based on the non-noble metal heterostructure electrodes reached a record low degradation rate under 100μV h-1at constant industrial current densities of 400 and 600 mA cm-2over 300 h,which exhibits a promising future for the nonprecious and stable AEMWE in the direct seawater electrolysis industry.展开更多
Polymer-based composite electrolytes composed of three-dimensional Li_(6.4)La_(3)Zr_(2)Al_(0.2)O_(12)(3D-LLZAO)have attracted increasing attention due to their continuous ion conduction and satisfactory mechanical pro...Polymer-based composite electrolytes composed of three-dimensional Li_(6.4)La_(3)Zr_(2)Al_(0.2)O_(12)(3D-LLZAO)have attracted increasing attention due to their continuous ion conduction and satisfactory mechanical properties.However,the organic/inorganic interface is incompatible,resulting in slow lithium-ion transport at the interface.Therefore,the compatibility of organic/inorganic interface is an urgent problem to be solved.Inspired by the concept of“gecko eaves”,polymer-based composite solid electrolytes with dense interface structures were designed.The bridging of organic/inorganic interfaces was established by introducing silane coupling agent(3-chloropropyl)trimethoxysilane(CTMS)into the PEO-3D-LLZAO(PL)electrolyte.The in-situ coupling reaction improves the interface affinity,strengthens the organic/inorganic interaction,reduces the interface resistance,and thus achieves an efficient interface ion transport network.The prepared PEO-3D-LLZAO-CTMS(PLC)electrolyte exhibits enhanced ionic conductivity of 6.04×10^(-4)S cm^(-1)and high ion migration number(0.61)at 60℃and broadens the electrochemical window(5.1 V).At the same time,the PLC electrolyte has good thermal stability and high mechanical properties.Moreover,the Li Fe PO_(4)|PLC|Li battery has excellent rate performance and cycling stability with a capacity decay rate of 2.2%after 100 cycles at 60℃and 0.1 C.These advantages of PLC membranes indicate that this design approach is indeed practical,and the in-situ coupling method provides a new approach to address interface compatibility issues.展开更多
In the search of alternative resources to make commodity chemicals and transportation fuels for a low carbon future,lignocellulosic biomass with over 180-billion-ton annual production rate has been identified as a pro...In the search of alternative resources to make commodity chemicals and transportation fuels for a low carbon future,lignocellulosic biomass with over 180-billion-ton annual production rate has been identified as a promising feedstock.This review focuses on the state-of-the-art catalytic transformation of lignocellulosic biomass into value-added chemicals and fuels.Following a brief introduction on the structure,major resources and pretreatment methods of lignocellulosic biomass,the catalytic conversion of three main components,i.e.,cellulose,hemicellulose and lignin,into various compounds are comprehensively discussed.Either in separate steps or in one-pot,cellulose and hemicellulose are hydrolyzed into sugars and upgraded into oxygen-containing chemicals such as 5-HMF,furfural,polyols,and organic acids,or even nitrogen-containing chemicals such as amino acids.On the other hand,lignin is first depolymerized into phenols,catechols,guaiacols,aldehydes and ketones,and then further transformed into hydrocarbon fuels,bioplastic precursors and bioactive compounds.The review then introduces the transformations of whole biomass via catalytic gasification,catalytic pyrolysis,as well as emerging strategies.Finally,opportunities,challenges and prospective of woody biomass valorization are highlighted.展开更多
Despite the long tradition of fossil carbon(coal,char,and related carbon-based materials)for fueling mankind,the science of transforming them into chemicals is still demandingly progressing in the current energy scena...Despite the long tradition of fossil carbon(coal,char,and related carbon-based materials)for fueling mankind,the science of transforming them into chemicals is still demandingly progressing in the current energy scenario,especially when considering its responsibilities to the global climate change.Traditionally,there are four routes of preparing chemicals directly from fossil carbon,including hydrogasification,gasification,direct liquefaction,and oxidation,in the macroscope of gas-solid reaction(hydrogasification and gasification)and liquid-solid reaction(direct liquefaction and oxidation).When the study goes to microscale,the gas-solid reaction can be considered as the reaction between the severe condensed radicals and gas,while the liquid-solid reaction is the direct reaction between the radical and the activated-molecule.To have a full overview of the area,this review systematically summarizes the main factors in these processes and shows our own perspectives as follows,(ⅰ)stabilizing the free radicals generated from coal and then directly converting them has the highest efficiency in coal utilization;(ⅱ)the research on the self-catalytic process of coal structure will have a profound impact on the direct preparation of chemicals from fossil carbon.Further discussions are also proposed to guide the future study of the area into a more sustainable direction.展开更多
Copper-based nanomaterials have been widely used in catalysis,electrodes,and other applications due to their unique electron-transfer properties.In this work,an efficient electrochemical sensor based on an electrode m...Copper-based nanomaterials have been widely used in catalysis,electrodes,and other applications due to their unique electron-transfer properties.In this work,an efficient electrochemical sensor based on an electrode modified with one-dimensional Cu(OH)_(2)/carboxymethyl cellulose(CMC)composite nanofibers was fabricated and investigated for the detection of aspirin.Scanning electron microscopy was employed to examine the morphological characteristics of these composite nanofibers.Cyclic voltammetry and electrochemical impedance spectroscopy were used to assess the electrochemical performance of a Cu(OH)_(2)/CMC composite nanofiber-modified electrode.The findings indicate that the modified electrode has a very high sensitivity to aspirin.The observed enhanced performance could be a result of the high surface-to-volume ratio of the composite nanofibers and their superior electron-transport characteristics,which may hasten electron transfer between aspirin and the surfaces of the modified electrode.This detection technique also demonstrated strong selectivity for aspirin.These findings imply that the technique can be applied as a highly effective and selective approach to aspirin measurement in biological science.展开更多
Hydrogen-bonded organic frameworks(HOFs),an emerging porous macrocyclic materials linked by hydrogen-bond,hold potential for gas separation and storage,sensors,optical,and electrocatalysts.Here,HOF-based electrocataly...Hydrogen-bonded organic frameworks(HOFs),an emerging porous macrocyclic materials linked by hydrogen-bond,hold potential for gas separation and storage,sensors,optical,and electrocatalysts.Here,HOF-based electrocatalysts are rationally developed for nitrates reduction to ammonia,allowing not only to regulate wastewater pollution but also to accomplish carbon-neutral ammonia(NH_(3))synthesis.We preform high-throughput computational screening of thirty-six HOFs with various metals as active sites,denoted as HOF-M1,for nitrate reduction reaction(NO_(3)RR)toward NH_(3).We have implemented a hierarchical four-step screening strategy,and ultimately,HOF-Ti1 was selected based on its exceptional catalytic activity and selectivity in the NO_(3)RR process.Through additional analysis,we discovered that the d band center of the active metal sites serves as an effective parameter for designing and predicting the performance of HOFs in NO_(3)RR.This research not only showcases the immense potential of electrocatalysis in transforming NO_(3)RR into NH_(3)but also provides researchers with a compelling incentive to undertake further experimental investigations.展开更多
Electrochemical capacitors(ECs)with unique merits of fast charge/discharge rate and long cyclability are one of the representative electrochemical energy storage systems,possessing wide applications in power electroni...Electrochemical capacitors(ECs)with unique merits of fast charge/discharge rate and long cyclability are one of the representative electrochemical energy storage systems,possessing wide applications in power electronics and automotive transportation,etc.[1,2].Furthermore.展开更多
The emerging two-dimensional materials,particularly transition metal dichalcogenides(TMDs),are known to exhibit valley degree of freedom with long valley lifetime,which hold great promises in the implementation of val...The emerging two-dimensional materials,particularly transition metal dichalcogenides(TMDs),are known to exhibit valley degree of freedom with long valley lifetime,which hold great promises in the implementation of valleytronic devices.Especially,light-valley interactions have attracted attentions in these systems,as the electrical generation of valley magnetization can be readily achieved—a rather different route toward magnetoelectric(ME)effect as compared to that from conventional electron spins.However,so far,the moiré patterns constructed with twisted bilayer TMDs remain largely unexplored in regard of their valley spin polarizations,even though the symmetry might be distinct from the AB stacked bilayer TMDs.Here,we study the valley Hall effect(VHE)in 40°-twisted chemical vapor deposition(CVD)grown WS2moiré transistors,using optical Kerr rotation measurements at 20 K.We observe a clear gate tunable spatial distribution of the valley carrier imbalance induced by the VHE when a current is exerted in the system.展开更多
Hydrogen with high energy density is an environmental alternative to fossil fuels which can respond to the demand for energy considering environmental conditions.It can be stored on porous materials employing physical...Hydrogen with high energy density is an environmental alternative to fossil fuels which can respond to the demand for energy considering environmental conditions.It can be stored on porous materials employing physical interaction(e.g.adsorption process).The H2storage capacity of materials can be evaluated through electrochemical methods.Therefore,a fast and straightforward approach was employed to fabricate magnesium oxide/chitosan/Au nanoparticles(Mg O/CS/Au)nanocomposites with porous structure for electrochemical hydrogen storage.Herein,laser ablation in water as a fast and green method was utilized to obtain Au nanoparticles(Au NPs).The obtained Au NPs were loaded on Mg O/CS nanocomposite through physical mixing.Structural and morphological investigation of nanocomposites display spherically shaped Au NPs with a diameter of 49–58 nm agglomerated on the Mg O/CS.Drop casting,the fast and cost-effective method was deployed to deposit the benign,and reusable Mg O/CS/Au-x(x is Au NPs weight percentage of 1,3 and 5 wt.%)nanocomposites on stainless steel mesh and their electrochemical hydrogen storage were measured by cyclic voltammetry(CV),indicating good stability and significant hydrogen storage capacity(28 C/g)after 300 CV scans for MgO/CS/Au-1 sample.展开更多
Improving the energy conversion efficiency in metallic fuel(e.g.,Al)combustion is always desirable but challenging,which often involves redox reactions of aluminum(Al)with various mixed oxidizing environments.For inst...Improving the energy conversion efficiency in metallic fuel(e.g.,Al)combustion is always desirable but challenging,which often involves redox reactions of aluminum(Al)with various mixed oxidizing environments.For instance,Al-O reaction is the most common pathway to release limited energy while Al-F reaction has received much attentions to enhance Al combustion efficiency.However,microscopic understanding of the Al-O/Al-F reaction dynamics remains unsolved,which is fundamentally necessary to further improve Al combustion efficiency.In this work,for the first time,Al-O/Al-F reaction dynamic effects on the combustion of aluminum nanoparticles(n-Al)in oxygen/fluorine containing environments have been revealed via reactive molecular dynamics(RMD)simulations meshing together combustion experiments.Three RMD simulation systems of Al core/O_(2)/HF,n-Al/O_(2)/HF,and n-Al/O_(2)/CF4 with oxygen percentage ranging from 0%to 100%have been performed.The n-Al combustion in mixed O_(2)/CF_4 environments have been conducted by constant volume combustion experiments.RMD results show that Al-O reaction exhibits kinetic benefits while Al-F reaction owns thermodynamic benefits for n-Al combustion.In n-Al/O_(2)/HF,Al-O reaction gives faster energy release rate than Al-F reaction(1.1 times).The optimal energy release efficiency can be achieved with suitable oxygen percentage of 10%and 50%for n-Al/O_(2)/HF and n-Al/O_(2)/CF_4,respectively.In combustion experiments,90%of oxygen percentage can optimally enhance the peak pressure,pressurization rate and combustion heat.Importantly,Al-O reaction prefers to occur on the surface regions while Al-F reaction prefers to proceed in the interior regions of n-Al,confirming the kinetic/thermodynamic benefits of Al-O/Al-F reactions.The synergistic effect of Al-O/Al-F reaction for greatly enhancing n-Al combustion efficiency is demonstrated at atomicscale,which is beneficial for optimizing the combustion performance of metallic fuel.展开更多
Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is...Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is investigated.By analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of 0.96.For the same salt,a positive correlation was found between CTR and the molar ratio of salt and water.For type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,respectively.The solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions.展开更多
The poor thermal stability and high sensitivity severely hinder the practical application of hexanitrohexaazaisowurtzitane(CL-20).Herein,a kind of novel core@double-shell CL-20 based energetic composites were fabricat...The poor thermal stability and high sensitivity severely hinder the practical application of hexanitrohexaazaisowurtzitane(CL-20).Herein,a kind of novel core@double-shell CL-20 based energetic composites were fabricated to address the above issues.The coordination complexes which consist of natural polyphenol tannic acid(TA) and Fe~Ⅲ were chosen to construct the inner shell,while the graphene sheets were used to build the outer shell.The resulting CL-20/TA-Fe~Ⅲ/graphene composites exhibited simultaneously improved thermal stability and safety performance with only 1 wt% double-shell content,which should be ascribed to the intense physical encapsulation effect from inner shell combined with the desensitization effect of carbon nano-materials from outer shell.The phase transition(ε to γ) temperature increased from 173.70 ℃ of pure CL-20 to 191.87℃ of CL-20/TA-Fe~Ⅲ/graphene composites.Meanwhile,the characteristic drop height(H_(50)) dramatically increased from 14.7 cm of pure CL-20 to112.8 cm of CL-20/TA-Fe~Ⅲ/graphene composites,indicating much superior safety performance after the construction of the double-shell structure.In general,this work has provided an effective and versatile strategy to conquer the thermal stability and safety issues of CL-20 and contributes to the future application of high energy density energetic materials.展开更多
In this work,a Cu-10Ta alloy with a copper to tantalum mass ratio of 9:1 is prepared using powder metallurgy technology.Physical properties of the alloy,including density,microstructure,melting point,and constant-volu...In this work,a Cu-10Ta alloy with a copper to tantalum mass ratio of 9:1 is prepared using powder metallurgy technology.Physical properties of the alloy,including density,microstructure,melting point,and constant-volume specific heat,are tested.Via the split Hopkinson pressure bar(SHPB)and flyerplate impact experiments,the relationship between equivalent stress and equivalent plastic strain of the material is studied at temperatures of 298-823 K and under strain rates of 1×10^(-3)-5.2×10^(3)s^(-1),and the Hugoniot relationship at impact pressures of 1.46-17.25 GPa and impact velocities of 108-942 m/s is obtained.Evolution of the Cu-10Ta microstructure that occurs during high-strain-rate impact is analyzed.Results indicate that the Cu-10Ta alloy possesses good thermal stability,and at ambient temperatures of up to 50%its melting point,stress softening of less than 15%of the initial strength is observed.A modified J-C constitutive model is employed to accurately predict the variation of yield strength with strain rate.Under strong impact,the copper phase is identified as the primary source of plastic deformation in the Cu-10Ta alloy,while significant deformation of the high-strength tantalum particles is less pronounced.Furthermore,the longitudinal wave speed D is found to correlate linearly with the particle velocity u upon strong impact.Analysis reveals that the sound speed and spallation strength of the alloy increase with increasing impact pressure.展开更多
Metal(aluminum and boron)based energetic materials have been wildly applied in various fields including aerospace,explosives and micro-devices due to their high energy density.Unfortunately,the low combustion efficien...Metal(aluminum and boron)based energetic materials have been wildly applied in various fields including aerospace,explosives and micro-devices due to their high energy density.Unfortunately,the low combustion efficiency and reactivity of metal fuels,especially boron(B),severely limit their practical applications.Herein,multi-component 3D microspheres of HMX/B/Al/PTFE(HBA)have been designed and successfully prepared by emulsion and solvent evaporation method to achieve superior energy and combustion reactivity.The reactivity and energy output of HBA are systematically measured by ignitionburning test,constant-volume explosion vessel system and bomb calorimetry.Due to the increased interfacial contact and reaction area,HBA shows higher flame propagation rate,faster pressurization rate and larger combustion heat of 29.95 cm/s,1077 kPa/s,and 6164.43 J/g,which is 1.5 times,3.5 times,and 1.03 times of the physical mixed counterpart(HBA-P).Meanwhile,HBA also shows enhanced energy output and reactivity than 3D microspheres of HMX/B/PTFE(HB)resulting from the high reactivity of Al.The reaction mechanism of 3D microspheres is comprehensively investigated through combustion emission spectral and thermal analysis(TG-DSC-MS).The superior reactivity and energy of HBA originate from the surface etching of fluorine to the inert shell(Al_(2)O_(3) and B_(2)O_(3))and the initiation effect of Al to B.This work offers a promising approach to design and prepare high-performance energetic materials for the practical applications.展开更多
Light olefins is the incredibly important materials in chemical industry.Methanol to olefins(MTO),which provides a non-oil route for light olefins production,received considerable attention in the past decades.However...Light olefins is the incredibly important materials in chemical industry.Methanol to olefins(MTO),which provides a non-oil route for light olefins production,received considerable attention in the past decades.However,the catalyst deactivation is an inevitable feature in MTO processes,and regeneration,therefore,is one of the key steps in industrial MTO processes.Traditionally the MTO catalyst is regenerated by removing the deposited coke via air combustion,which unavoidably transforms coke into carbon dioxide and reduces the carbon utilization efficiency.Recent study shows that the coke species over MTO catalyst can be regenerated via steam,which can promote the light olefins yield as the deactivated coke species can be essentially transferred to industrially useful synthesis gas,is a promising pathway for further MTO processes development.In this work,we modelled and analyzed these two MTO regeneration methods in terms of carbon utilization efficiency and technology economics.As shown,the steam regeneration could achieve a carbon utilization efficiency of 84.31%,compared to 74.74%for air combustion regeneration.The MTO processes using steam regeneration can essentially achieve the near-zero carbon emission.In addition,light olefins production of the MTO processes using steam regeneration is 12.81%higher than that using air combustion regeneration.In this regard,steam regeneration could be considered as a potential yet promising regeneration method for further MTO processes,showing not only great environmental benefits but also competitive economic performance.展开更多
Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear.Herein shock-induced energy localization,overall phy...Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear.Herein shock-induced energy localization,overall physical responses,and reactions in a-1,3,5-trinitro-1,3,5-triazinane(a-RDX)crystal entrained various chemical inclusions were investigated by the multi-scale shock technique implemented in the reactive molecular dynamics method.Results indicated that energy localization and shock reaction were affected by the intrinsic factors within chemical inclusions,i.e.,phase states,chemical compositions,and concentrations.The atomic origin of chemical-inclusions effects on energy localization is dependent on the dynamics mechanism of interfacial molecules with free space volume,which includes homogeneous intermolecular compression,interfacial impact and shear,and void collapse and jet.As introducing various chemical inclusions,the initiation of those dynamics mechanisms triggers diverse decay rates of bulk RDX molecules and hereby impacts on growth speeds of final reactions.Adding chemical inclusions can reduce the effectiveness of the void during the shock impacting.Under the shockwave velocity of 9 km/s,the parent RDX decay rate in RDX entrained amorphous carbon decreases the most and is about one fourth of that in RDX with a vacuum void,and solid HMX and TATB inclusions are more reactive than amorphous carbon but less reactive than dry air or acetone inclusions.The lessdense shocking system denotes the greater increases in local temperature and stress,the faster energy liberation,and the earlier final reaction into equilibrium,revealing more pronounced responses to the present intense shockwave.The quantitative models associated with the relative system density(RD_(sys))were proposed for indicating energy-localization mechanisms and evaluating initiation safety in the shocked crystalline explosive.RD_(sys)is defined by the density ratio of defective RDX to perfect crystal after dynamics relaxation and reveals the global density characteristic in shocked systems filled with chemical inclusions.When RD_(sys)is below 0.9,local hydrodynamic jet initiated by void collapse dominates upon energy localization instead of interfacial impact.This study sheds light on novel insights for understanding the shock chemistry and physical-based atomic origin in crystalline explosives considering chemical-inclusions effects.展开更多
Pesticide adjuvants,as crop protection products,have been widely used to reduce drift loss and improve utilization efficiency by regulating droplet spectrum.However,the coordinated regulation mechanisms of adjuvants a...Pesticide adjuvants,as crop protection products,have been widely used to reduce drift loss and improve utilization efficiency by regulating droplet spectrum.However,the coordinated regulation mechanisms of adjuvants and nozzles on droplet spectrum remain unclear.Here,we established the relationship between droplet spectrum evolution and liquid atomization by investigating the typical characteristics of droplet diameter distribution near the nozzle.Based on this,the regulation mechanisms of distinctive pesticide adjuvants on droplet spectrum were clarified,and the corresponding drift reduction performances were quantitively evaluated by wind tunnel experiments.It shows that the droplet diameter firstly shifts to the smaller due to the liquid sheet breakup and then prefers to increase caused by droplet interactions.Reducing the surface tension of sprayed liquid facilitates the uniform liquid breakup and increasing the viscosity inhibits the liquid deformation,which prolong the atomization process and effectively improve the droplet spectrum.As a result,the drift losses of flat-fan and hollow cone nozzles are reduced by about 50%after adding organosilicon and vegetable oil adjuvants.By contrast,the air induction nozzle shows a superior anti-drift ability,regardless of distinctive adjuvants.Our findings provide insights into rational adjuvant design and nozzle selection in the field application.展开更多
The double ionization process of molecules driven by co-rotating two-color circularly polarized fields is investigated with a three-dimensional classical ensemble model. Numerical results indicate that a considerable ...The double ionization process of molecules driven by co-rotating two-color circularly polarized fields is investigated with a three-dimensional classical ensemble model. Numerical results indicate that a considerable part of the sequential double ionization(DI) events of molecules occur through internal collision double ionization(ICD), and the ICD recollision mechanism is significantly different from that in non-sequential double ionization(NSDI). By analyzing the results of internuclear distances R = 5 a.u. and 2 a.u., these two recollision mechanisms are studied in depth. It is found that the dynamic behaviors of the recollision mechanisms of NSDI and ICD are similar. For NSDI, the motion range of electrons after the ionization is relatively large, and the electrons will return to the core after a period of time. In the ICD process,electrons will rotate around the parent ion before ionization, and the distance of the electron motion is relatively small. After a period of time, the electrons will come back to the core and collide with another electron. Furthermore, the molecular internuclear distance has a significant effect on the electron dynamic behavior of the two ionization mechanisms. This study will help to understand the multi-electron ionization process of complex systems.展开更多
文摘The 70th anniversary of Dalian Institute of Chemical Physics (DICP), Chinese Academy of Sciences (CAS), has been celebrating in various ways through the year of 2019. DICP was established with the name of Scientific Research Institute of Dalian University on March 19, 1949, which is even a little earlier than the foundation of the People's Republic of China (October 1, 1949). Since then, the name of the institute has changed several times in order to fulfill the assigned regional and national research mission. In 1970, the institute was named as the “Dalian Institute of Chemical Physics, Chinese Academy of Sciences”.
文摘Dalian Institute of Chemical Physics(DICP) is a comprehensive chemical engineering research institute with strong international reputation, which has made significant contributions to national economic construction, national security and the progress of science and technology(S&T).
基金supported by the National Key Research and Development Program of China(2022YFB4002100)the Key Program of the National Natural Science Foundation of China(22090032,22090030)。
文摘Direct seawater electrolysis for hydrogen production has been regarded as a viable route to utilize surplus renewable energy and address the climate crisis.However,the harsh electrochemical environment of seawater,particularly the presence of aggressive Cl^(-),has been proven to be prone to parasitic chloride ion oxidation and corrosion reactions,thus restricting seawater electrolyzer lifetime.Herein,hierarchical structure(Ni,Fe)O(OH)@NiCoS nanorod arrays(NAs)catalysts with heterointerfaces and localized oxygen vacancies were synthesized at nickel foam substrates via the combination of hydrothermal and annealing methods to boost seawater dissociation.The hiera rchical nanostructure of NiCoS NAs enhanced electrode charge transfer rate and active surface area to accelerate oxygen evolution reaction(OER)and generated sulfate gradient layers to repulsive aggressive Cl^(-).The fabricated heterostructure and vacancies of(Ni,Fe)O(OH)tuned catalyst electronic structure into an electrophilic state to enhance the binding affinity of hydroxyl intermediates and facilitate the structural transformation into amorphousγ-NiFeOOH for promoting OER.Furthermore,through operando electrochemistry techniques,we found that theγ-NiFeOOH possessing an unsaturated coordination environment and lattice-oxygen-participated OER mechanism can minimize electrode Cl^(-)corrosion enabled by stabilizing the adsorption of OH*intermediates,making it one of the best OER catalysts in the seawater medium reported to date.Consequently,these catalysts can deliver current densities of 100 and 500 mA cm-2for boosting OER at minimal overpotentials of 245and 316 mV,respectively,and thus prevent chloride ion oxidation simultaneously.Impressively,a highly stable anion exchange membrane(AEM)seawater electrolyzer based on the non-noble metal heterostructure electrodes reached a record low degradation rate under 100μV h-1at constant industrial current densities of 400 and 600 mA cm-2over 300 h,which exhibits a promising future for the nonprecious and stable AEMWE in the direct seawater electrolysis industry.
基金supported by the Key Program(U20A20235)funded by the National Natural Science Foundation of Chinathe National Natural Science Foundation of China(52171127,51974242)+3 种基金the Natural Science Basic Research Program of Shaanxi(2023-JC-QN-0595)the Regional Innovation Capability Guidance Program of Shaanxi(2022QFY10-06)the Key R&D Program of Xianyang Science and Technology Bureau(2021ZDYF-GY-0029)the Program of Xi’an Science and Technology Bureau(23GXFW0066)。
文摘Polymer-based composite electrolytes composed of three-dimensional Li_(6.4)La_(3)Zr_(2)Al_(0.2)O_(12)(3D-LLZAO)have attracted increasing attention due to their continuous ion conduction and satisfactory mechanical properties.However,the organic/inorganic interface is incompatible,resulting in slow lithium-ion transport at the interface.Therefore,the compatibility of organic/inorganic interface is an urgent problem to be solved.Inspired by the concept of“gecko eaves”,polymer-based composite solid electrolytes with dense interface structures were designed.The bridging of organic/inorganic interfaces was established by introducing silane coupling agent(3-chloropropyl)trimethoxysilane(CTMS)into the PEO-3D-LLZAO(PL)electrolyte.The in-situ coupling reaction improves the interface affinity,strengthens the organic/inorganic interaction,reduces the interface resistance,and thus achieves an efficient interface ion transport network.The prepared PEO-3D-LLZAO-CTMS(PLC)electrolyte exhibits enhanced ionic conductivity of 6.04×10^(-4)S cm^(-1)and high ion migration number(0.61)at 60℃and broadens the electrochemical window(5.1 V).At the same time,the PLC electrolyte has good thermal stability and high mechanical properties.Moreover,the Li Fe PO_(4)|PLC|Li battery has excellent rate performance and cycling stability with a capacity decay rate of 2.2%after 100 cycles at 60℃and 0.1 C.These advantages of PLC membranes indicate that this design approach is indeed practical,and the in-situ coupling method provides a new approach to address interface compatibility issues.
文摘In the search of alternative resources to make commodity chemicals and transportation fuels for a low carbon future,lignocellulosic biomass with over 180-billion-ton annual production rate has been identified as a promising feedstock.This review focuses on the state-of-the-art catalytic transformation of lignocellulosic biomass into value-added chemicals and fuels.Following a brief introduction on the structure,major resources and pretreatment methods of lignocellulosic biomass,the catalytic conversion of three main components,i.e.,cellulose,hemicellulose and lignin,into various compounds are comprehensively discussed.Either in separate steps or in one-pot,cellulose and hemicellulose are hydrolyzed into sugars and upgraded into oxygen-containing chemicals such as 5-HMF,furfural,polyols,and organic acids,or even nitrogen-containing chemicals such as amino acids.On the other hand,lignin is first depolymerized into phenols,catechols,guaiacols,aldehydes and ketones,and then further transformed into hydrocarbon fuels,bioplastic precursors and bioactive compounds.The review then introduces the transformations of whole biomass via catalytic gasification,catalytic pyrolysis,as well as emerging strategies.Finally,opportunities,challenges and prospective of woody biomass valorization are highlighted.
基金supported by National Natural Science Foundation of China(52161145403 and 22072164)the Joint Fund of the Yulin University and the Dalian National Laboratory for Clean Energy(Grant.YLU-DNL Fund 2022002)。
文摘Despite the long tradition of fossil carbon(coal,char,and related carbon-based materials)for fueling mankind,the science of transforming them into chemicals is still demandingly progressing in the current energy scenario,especially when considering its responsibilities to the global climate change.Traditionally,there are four routes of preparing chemicals directly from fossil carbon,including hydrogasification,gasification,direct liquefaction,and oxidation,in the macroscope of gas-solid reaction(hydrogasification and gasification)and liquid-solid reaction(direct liquefaction and oxidation).When the study goes to microscale,the gas-solid reaction can be considered as the reaction between the severe condensed radicals and gas,while the liquid-solid reaction is the direct reaction between the radical and the activated-molecule.To have a full overview of the area,this review systematically summarizes the main factors in these processes and shows our own perspectives as follows,(ⅰ)stabilizing the free radicals generated from coal and then directly converting them has the highest efficiency in coal utilization;(ⅱ)the research on the self-catalytic process of coal structure will have a profound impact on the direct preparation of chemicals from fossil carbon.Further discussions are also proposed to guide the future study of the area into a more sustainable direction.
基金The authors wish to acknowledge financial support from the Science and Technology Projects in Jilin Province Department of Education(Grant No.JJKH20220239KJ).
文摘Copper-based nanomaterials have been widely used in catalysis,electrodes,and other applications due to their unique electron-transfer properties.In this work,an efficient electrochemical sensor based on an electrode modified with one-dimensional Cu(OH)_(2)/carboxymethyl cellulose(CMC)composite nanofibers was fabricated and investigated for the detection of aspirin.Scanning electron microscopy was employed to examine the morphological characteristics of these composite nanofibers.Cyclic voltammetry and electrochemical impedance spectroscopy were used to assess the electrochemical performance of a Cu(OH)_(2)/CMC composite nanofiber-modified electrode.The findings indicate that the modified electrode has a very high sensitivity to aspirin.The observed enhanced performance could be a result of the high surface-to-volume ratio of the composite nanofibers and their superior electron-transport characteristics,which may hasten electron transfer between aspirin and the surfaces of the modified electrode.This detection technique also demonstrated strong selectivity for aspirin.These findings imply that the technique can be applied as a highly effective and selective approach to aspirin measurement in biological science.
基金financial support from the National Key R&D Program of China(Grant 2022YFA1504000)the National Natural Science Foundation of China(Grants 22125205,22002166,22272176,22072146 and 22002158)+2 种基金the Fundamental Research Funds for the Central Universities(20720220008)the Dalian National Laboratory for Clean Energy(DNL202007,DNL201923)the financial support from the CAS Youth Innovation Promotion(Grant Y201938)。
文摘Hydrogen-bonded organic frameworks(HOFs),an emerging porous macrocyclic materials linked by hydrogen-bond,hold potential for gas separation and storage,sensors,optical,and electrocatalysts.Here,HOF-based electrocatalysts are rationally developed for nitrates reduction to ammonia,allowing not only to regulate wastewater pollution but also to accomplish carbon-neutral ammonia(NH_(3))synthesis.We preform high-throughput computational screening of thirty-six HOFs with various metals as active sites,denoted as HOF-M1,for nitrate reduction reaction(NO_(3)RR)toward NH_(3).We have implemented a hierarchical four-step screening strategy,and ultimately,HOF-Ti1 was selected based on its exceptional catalytic activity and selectivity in the NO_(3)RR process.Through additional analysis,we discovered that the d band center of the active metal sites serves as an effective parameter for designing and predicting the performance of HOFs in NO_(3)RR.This research not only showcases the immense potential of electrocatalysis in transforming NO_(3)RR into NH_(3)but also provides researchers with a compelling incentive to undertake further experimental investigations.
基金financially supported by the National Natural Science Foundation of China(22125903,51872283,22005298)。
文摘Electrochemical capacitors(ECs)with unique merits of fast charge/discharge rate and long cyclability are one of the representative electrochemical energy storage systems,possessing wide applications in power electronics and automotive transportation,etc.[1,2].Furthermore.
基金supported by the National Key R&D Program of China(No.2019YFA0307800)financial support from the National Natural Science Foundation of China(Nos.22175060,21975067,92265203,11974357,12004259,12204287,U1932151)+1 种基金Natural Science Foundation of Hunan Province of China(Nos.2021JJ10014,2021JJ30092)China Postdoctoral Science Foundation(Grant No.2022M723215)。
文摘The emerging two-dimensional materials,particularly transition metal dichalcogenides(TMDs),are known to exhibit valley degree of freedom with long valley lifetime,which hold great promises in the implementation of valleytronic devices.Especially,light-valley interactions have attracted attentions in these systems,as the electrical generation of valley magnetization can be readily achieved—a rather different route toward magnetoelectric(ME)effect as compared to that from conventional electron spins.However,so far,the moiré patterns constructed with twisted bilayer TMDs remain largely unexplored in regard of their valley spin polarizations,even though the symmetry might be distinct from the AB stacked bilayer TMDs.Here,we study the valley Hall effect(VHE)in 40°-twisted chemical vapor deposition(CVD)grown WS2moiré transistors,using optical Kerr rotation measurements at 20 K.We observe a clear gate tunable spatial distribution of the valley carrier imbalance induced by the VHE when a current is exerted in the system.
文摘Hydrogen with high energy density is an environmental alternative to fossil fuels which can respond to the demand for energy considering environmental conditions.It can be stored on porous materials employing physical interaction(e.g.adsorption process).The H2storage capacity of materials can be evaluated through electrochemical methods.Therefore,a fast and straightforward approach was employed to fabricate magnesium oxide/chitosan/Au nanoparticles(Mg O/CS/Au)nanocomposites with porous structure for electrochemical hydrogen storage.Herein,laser ablation in water as a fast and green method was utilized to obtain Au nanoparticles(Au NPs).The obtained Au NPs were loaded on Mg O/CS nanocomposite through physical mixing.Structural and morphological investigation of nanocomposites display spherically shaped Au NPs with a diameter of 49–58 nm agglomerated on the Mg O/CS.Drop casting,the fast and cost-effective method was deployed to deposit the benign,and reusable Mg O/CS/Au-x(x is Au NPs weight percentage of 1,3 and 5 wt.%)nanocomposites on stainless steel mesh and their electrochemical hydrogen storage were measured by cyclic voltammetry(CV),indicating good stability and significant hydrogen storage capacity(28 C/g)after 300 CV scans for MgO/CS/Au-1 sample.
基金support by the National Natural Science Foundation of China(NSFC,Grant Nos.12002324,12372341,12172342)。
文摘Improving the energy conversion efficiency in metallic fuel(e.g.,Al)combustion is always desirable but challenging,which often involves redox reactions of aluminum(Al)with various mixed oxidizing environments.For instance,Al-O reaction is the most common pathway to release limited energy while Al-F reaction has received much attentions to enhance Al combustion efficiency.However,microscopic understanding of the Al-O/Al-F reaction dynamics remains unsolved,which is fundamentally necessary to further improve Al combustion efficiency.In this work,for the first time,Al-O/Al-F reaction dynamic effects on the combustion of aluminum nanoparticles(n-Al)in oxygen/fluorine containing environments have been revealed via reactive molecular dynamics(RMD)simulations meshing together combustion experiments.Three RMD simulation systems of Al core/O_(2)/HF,n-Al/O_(2)/HF,and n-Al/O_(2)/CF4 with oxygen percentage ranging from 0%to 100%have been performed.The n-Al combustion in mixed O_(2)/CF_4 environments have been conducted by constant volume combustion experiments.RMD results show that Al-O reaction exhibits kinetic benefits while Al-F reaction owns thermodynamic benefits for n-Al combustion.In n-Al/O_(2)/HF,Al-O reaction gives faster energy release rate than Al-F reaction(1.1 times).The optimal energy release efficiency can be achieved with suitable oxygen percentage of 10%and 50%for n-Al/O_(2)/HF and n-Al/O_(2)/CF_4,respectively.In combustion experiments,90%of oxygen percentage can optimally enhance the peak pressure,pressurization rate and combustion heat.Importantly,Al-O reaction prefers to occur on the surface regions while Al-F reaction prefers to proceed in the interior regions of n-Al,confirming the kinetic/thermodynamic benefits of Al-O/Al-F reactions.The synergistic effect of Al-O/Al-F reaction for greatly enhancing n-Al combustion efficiency is demonstrated at atomicscale,which is beneficial for optimizing the combustion performance of metallic fuel.
基金supported by the National Natural Science Foundation of China(No.21776264).
文摘Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is investigated.By analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of 0.96.For the same salt,a positive correlation was found between CTR and the molar ratio of salt and water.For type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,respectively.The solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions.
基金financially supported by the National Natural Science Foundation of China (Grant No. 22275173)the Open Project of State Key Laboratory of Environment-friendly Energy Materials (Grant No. 22kfhg10)。
文摘The poor thermal stability and high sensitivity severely hinder the practical application of hexanitrohexaazaisowurtzitane(CL-20).Herein,a kind of novel core@double-shell CL-20 based energetic composites were fabricated to address the above issues.The coordination complexes which consist of natural polyphenol tannic acid(TA) and Fe~Ⅲ were chosen to construct the inner shell,while the graphene sheets were used to build the outer shell.The resulting CL-20/TA-Fe~Ⅲ/graphene composites exhibited simultaneously improved thermal stability and safety performance with only 1 wt% double-shell content,which should be ascribed to the intense physical encapsulation effect from inner shell combined with the desensitization effect of carbon nano-materials from outer shell.The phase transition(ε to γ) temperature increased from 173.70 ℃ of pure CL-20 to 191.87℃ of CL-20/TA-Fe~Ⅲ/graphene composites.Meanwhile,the characteristic drop height(H_(50)) dramatically increased from 14.7 cm of pure CL-20 to112.8 cm of CL-20/TA-Fe~Ⅲ/graphene composites,indicating much superior safety performance after the construction of the double-shell structure.In general,this work has provided an effective and versatile strategy to conquer the thermal stability and safety issues of CL-20 and contributes to the future application of high energy density energetic materials.
文摘In this work,a Cu-10Ta alloy with a copper to tantalum mass ratio of 9:1 is prepared using powder metallurgy technology.Physical properties of the alloy,including density,microstructure,melting point,and constant-volume specific heat,are tested.Via the split Hopkinson pressure bar(SHPB)and flyerplate impact experiments,the relationship between equivalent stress and equivalent plastic strain of the material is studied at temperatures of 298-823 K and under strain rates of 1×10^(-3)-5.2×10^(3)s^(-1),and the Hugoniot relationship at impact pressures of 1.46-17.25 GPa and impact velocities of 108-942 m/s is obtained.Evolution of the Cu-10Ta microstructure that occurs during high-strain-rate impact is analyzed.Results indicate that the Cu-10Ta alloy possesses good thermal stability,and at ambient temperatures of up to 50%its melting point,stress softening of less than 15%of the initial strength is observed.A modified J-C constitutive model is employed to accurately predict the variation of yield strength with strain rate.Under strong impact,the copper phase is identified as the primary source of plastic deformation in the Cu-10Ta alloy,while significant deformation of the high-strength tantalum particles is less pronounced.Furthermore,the longitudinal wave speed D is found to correlate linearly with the particle velocity u upon strong impact.Analysis reveals that the sound speed and spallation strength of the alloy increase with increasing impact pressure.
基金the National Natural Science Foundation of China(Grant Nos.T2222027,12202416 and 12272359).
文摘Metal(aluminum and boron)based energetic materials have been wildly applied in various fields including aerospace,explosives and micro-devices due to their high energy density.Unfortunately,the low combustion efficiency and reactivity of metal fuels,especially boron(B),severely limit their practical applications.Herein,multi-component 3D microspheres of HMX/B/Al/PTFE(HBA)have been designed and successfully prepared by emulsion and solvent evaporation method to achieve superior energy and combustion reactivity.The reactivity and energy output of HBA are systematically measured by ignitionburning test,constant-volume explosion vessel system and bomb calorimetry.Due to the increased interfacial contact and reaction area,HBA shows higher flame propagation rate,faster pressurization rate and larger combustion heat of 29.95 cm/s,1077 kPa/s,and 6164.43 J/g,which is 1.5 times,3.5 times,and 1.03 times of the physical mixed counterpart(HBA-P).Meanwhile,HBA also shows enhanced energy output and reactivity than 3D microspheres of HMX/B/PTFE(HB)resulting from the high reactivity of Al.The reaction mechanism of 3D microspheres is comprehensively investigated through combustion emission spectral and thermal analysis(TG-DSC-MS).The superior reactivity and energy of HBA originate from the surface etching of fluorine to the inert shell(Al_(2)O_(3) and B_(2)O_(3))and the initiation effect of Al to B.This work offers a promising approach to design and prepare high-performance energetic materials for the practical applications.
基金the financial support from the Strategic Priority Research Program of Chinese Academy of Sciences(XDA21010100)。
文摘Light olefins is the incredibly important materials in chemical industry.Methanol to olefins(MTO),which provides a non-oil route for light olefins production,received considerable attention in the past decades.However,the catalyst deactivation is an inevitable feature in MTO processes,and regeneration,therefore,is one of the key steps in industrial MTO processes.Traditionally the MTO catalyst is regenerated by removing the deposited coke via air combustion,which unavoidably transforms coke into carbon dioxide and reduces the carbon utilization efficiency.Recent study shows that the coke species over MTO catalyst can be regenerated via steam,which can promote the light olefins yield as the deactivated coke species can be essentially transferred to industrially useful synthesis gas,is a promising pathway for further MTO processes development.In this work,we modelled and analyzed these two MTO regeneration methods in terms of carbon utilization efficiency and technology economics.As shown,the steam regeneration could achieve a carbon utilization efficiency of 84.31%,compared to 74.74%for air combustion regeneration.The MTO processes using steam regeneration can essentially achieve the near-zero carbon emission.In addition,light olefins production of the MTO processes using steam regeneration is 12.81%higher than that using air combustion regeneration.In this regard,steam regeneration could be considered as a potential yet promising regeneration method for further MTO processes,showing not only great environmental benefits but also competitive economic performance.
基金the financial support from National Natural Science Foundation of China(Grant Nos.11872119,12172051,and 11972329)Natural Science Foundation of Hubei Province(Grant No.2021CFB120)。
文摘Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear.Herein shock-induced energy localization,overall physical responses,and reactions in a-1,3,5-trinitro-1,3,5-triazinane(a-RDX)crystal entrained various chemical inclusions were investigated by the multi-scale shock technique implemented in the reactive molecular dynamics method.Results indicated that energy localization and shock reaction were affected by the intrinsic factors within chemical inclusions,i.e.,phase states,chemical compositions,and concentrations.The atomic origin of chemical-inclusions effects on energy localization is dependent on the dynamics mechanism of interfacial molecules with free space volume,which includes homogeneous intermolecular compression,interfacial impact and shear,and void collapse and jet.As introducing various chemical inclusions,the initiation of those dynamics mechanisms triggers diverse decay rates of bulk RDX molecules and hereby impacts on growth speeds of final reactions.Adding chemical inclusions can reduce the effectiveness of the void during the shock impacting.Under the shockwave velocity of 9 km/s,the parent RDX decay rate in RDX entrained amorphous carbon decreases the most and is about one fourth of that in RDX with a vacuum void,and solid HMX and TATB inclusions are more reactive than amorphous carbon but less reactive than dry air or acetone inclusions.The lessdense shocking system denotes the greater increases in local temperature and stress,the faster energy liberation,and the earlier final reaction into equilibrium,revealing more pronounced responses to the present intense shockwave.The quantitative models associated with the relative system density(RD_(sys))were proposed for indicating energy-localization mechanisms and evaluating initiation safety in the shocked crystalline explosive.RD_(sys)is defined by the density ratio of defective RDX to perfect crystal after dynamics relaxation and reveals the global density characteristic in shocked systems filled with chemical inclusions.When RD_(sys)is below 0.9,local hydrodynamic jet initiated by void collapse dominates upon energy localization instead of interfacial impact.This study sheds light on novel insights for understanding the shock chemistry and physical-based atomic origin in crystalline explosives considering chemical-inclusions effects.
基金financially supported by the National Key Research and Development Program of China(2017YFD0200304)。
文摘Pesticide adjuvants,as crop protection products,have been widely used to reduce drift loss and improve utilization efficiency by regulating droplet spectrum.However,the coordinated regulation mechanisms of adjuvants and nozzles on droplet spectrum remain unclear.Here,we established the relationship between droplet spectrum evolution and liquid atomization by investigating the typical characteristics of droplet diameter distribution near the nozzle.Based on this,the regulation mechanisms of distinctive pesticide adjuvants on droplet spectrum were clarified,and the corresponding drift reduction performances were quantitively evaluated by wind tunnel experiments.It shows that the droplet diameter firstly shifts to the smaller due to the liquid sheet breakup and then prefers to increase caused by droplet interactions.Reducing the surface tension of sprayed liquid facilitates the uniform liquid breakup and increasing the viscosity inhibits the liquid deformation,which prolong the atomization process and effectively improve the droplet spectrum.As a result,the drift losses of flat-fan and hollow cone nozzles are reduced by about 50%after adding organosilicon and vegetable oil adjuvants.By contrast,the air induction nozzle shows a superior anti-drift ability,regardless of distinctive adjuvants.Our findings provide insights into rational adjuvant design and nozzle selection in the field application.
基金the National Key Research and Development Program of China (Grant No.2019YFA0307700)the National Natural Science Foundation of China (Grant Nos.12074145 and 11975012)+1 种基金Jilin Provincial Research Foundation for Basic Research,China (Grant No.20220101003JC)Jilin Provincial Education Department (Grant No.JJKH20230284KJ)。
文摘The double ionization process of molecules driven by co-rotating two-color circularly polarized fields is investigated with a three-dimensional classical ensemble model. Numerical results indicate that a considerable part of the sequential double ionization(DI) events of molecules occur through internal collision double ionization(ICD), and the ICD recollision mechanism is significantly different from that in non-sequential double ionization(NSDI). By analyzing the results of internuclear distances R = 5 a.u. and 2 a.u., these two recollision mechanisms are studied in depth. It is found that the dynamic behaviors of the recollision mechanisms of NSDI and ICD are similar. For NSDI, the motion range of electrons after the ionization is relatively large, and the electrons will return to the core after a period of time. In the ICD process,electrons will rotate around the parent ion before ionization, and the distance of the electron motion is relatively small. After a period of time, the electrons will come back to the core and collide with another electron. Furthermore, the molecular internuclear distance has a significant effect on the electron dynamic behavior of the two ionization mechanisms. This study will help to understand the multi-electron ionization process of complex systems.