Hot water flooding is an effective way to develop heavy oil reservoirs.However,local channeling channels may form,possibly leading to a low thermal utilization efficiency and high water cut in the reservoir.The pore s...Hot water flooding is an effective way to develop heavy oil reservoirs.However,local channeling channels may form,possibly leading to a low thermal utilization efficiency and high water cut in the reservoir.The pore structure heterogeneity is an important factor in forming these channels.This study proposes a method that mixes quartz sand with different particle sizes to prepare weakly heterogeneous and strongly heterogeneous models through which hot water flooding experiments are conducted.During the experiments,computer tomography(CT)scanning identifies the pore structure and micro remaining oil saturation distribution to analyze the influence of the pore structure heterogeneity on the channeling channels.The oil saturation reduction and average pore size are divided into three levels to quantitatively describe the relationship between the channeling channel distribution and pore structure heterogeneity.The zone where oil saturation reduction exceeds 20%is defined as a channeling channel.The scanning area is divided into 180 equally sized zones based on the CT scanning images,and threedimensional(3D)distributions of the channeling channels are developed.Four micro remaining oil distribution patterns are proposed,and the morphology characteristics of micro remaining oil inside and outside the channeling channels are analyzed.The results show that hot water flooding is more balanced in the weakly heterogeneous model,and the oil saturation decreases by more than 20%in most zones without narrow channeling channels forming.In the strongly heterogeneous model,hot water flooding is unbalanced,and three narrow channeling channels of different lengths form.In the weakly heterogeneous model,the oil saturation reduction is greater in zones with larger pores.The distribution range of the average pore size is larger in the strongly heterogeneous model.The network remaining oil inside the channeling channels is less than outside the channeling channels,and the hot water converts the network remaining oil into cluster,film,and droplet remaining oil.展开更多
Secondary electron emission(SEE)has emerged as a critical issue in next-generation accelerators.Mitigating SEE on metal surfaces is crucial for enhancing the stability and emittance of particle accelerators while exte...Secondary electron emission(SEE)has emerged as a critical issue in next-generation accelerators.Mitigating SEE on metal surfaces is crucial for enhancing the stability and emittance of particle accelerators while extending their lifespan.This paper explores the application of laser-assisted water jet technology in constructing high-quality micro-trap structures on 316L stainless steel,a key material in accelerator manufacturing.The study systematically analyzes the impact of various parameters such as laser repetition frequency,pulse duration,average power,water jet pressure,repeat times,nozzle offset,focal position,offset distance between grooves,and processing speed on the surface morphology of stainless steel.The findings reveal that micro-groove depth increases with higher laser power but decreases with increasing water jet pressure and processing speed.Interestingly,repeat times have minimal effect on depth.On the other hand,micro-groove width increases with higher laser power and repeat times but decreases with processing speed.By optimizing these parameters,the researchers achieved high-quality pound sign-shaped trap structure with consistent dimensions.We tested the secondary electron emission coefficient of the"well"structure.The coefficient is reduced by 0.5 at most compared to before processing,effectively suppressing secondary electron emission.These results offer indispensable insights for the fabrication of micro-trap structures on material surfaces.Laser-assisted water jet technology demonstrates considerable potential in mitigating SEE on metal surfaces.展开更多
An advantageous porous architecture of electrodes is pivotal in significantly enhancing alkaline water electrolysis(AWE)efficiency by optimizing the mass transport mechanisms.This effect becomes even more pronounced w...An advantageous porous architecture of electrodes is pivotal in significantly enhancing alkaline water electrolysis(AWE)efficiency by optimizing the mass transport mechanisms.This effect becomes even more pronounced when aiming to achieve elevated current densities.Herein,we employed a rapid and scalable laser texturing process to craft novel multi-channel porous electrodes.Particularly,the obtained electrodes exhibit the lowest Tafel slope of 79 mV dec^(-1)(HER)and 49 mV dec^(-1)(OER).As anticipated,the alkaline electrolyzer(AEL)cell incorporating multi-channel porous electrodes(NP-LT30)exhibited a remarkable improvement in cell efficiency,with voltage drops(from 2.28 to 1.97 V)exceeding 300 mV under 1 A cm^(-1),compared to conventional perforated Ni plate electrodes.This enhancement mainly stemmed from the employed multi-channel porous structure,facilitating mass transport and bubble dynamics through an innovative convection mode,surpassing the traditional convection mode.Furthermore,the NP-LT30-based AEL cell demonstrated exceptional durability for 300 h under 1.0 A cm^(-2).This study underscores the capability of the novel multi-channel porous electrodes to expedite mass transport in practical AWE applications.展开更多
The size of pores or the grille spacing of water–sediment separation structures directly affects their regulation effect on the debris flow performance.A suitable pore size or grille spacing can effectively improve t...The size of pores or the grille spacing of water–sediment separation structures directly affects their regulation effect on the debris flow performance.A suitable pore size or grille spacing can effectively improve the water–sediment separation ability of the structure.The new funnel-type grating water–sediment separation structure(FGWSS)combines vertical and horizontal structures and provides a satisfactory water–sediment separation effect.However,the regulation effect of the grille spacing of the structure on the debris flow performance has not been studied.The regulation effect of the structure grille spacing on the debris flow performance is studied through a flume test,and the optimal structure grille spacing is obtained.An empirical equation of the relationship between the relative grille spacing of the structure and the sediment separation rate is established.Finally,the influence of the water–sediment separation structure on the regulation effect of debris flows is examined from two aspects:external factors(properties of debris flows)and internal factors(structural factors).The experimental results show that the gradation characteristics of solid particles in debris flows constitute a key factor affecting the regulation effect of the structure on the debris flow performance.The optimum grille spacing of the FGWSS matches the particle size corresponding to the material distribution curves d85~d90 of the debris flow.The total separation rate of debris flow particles is related to the grille spacing of the structure and the content of coarse and fine particles in the debris flow.展开更多
Experimental methods,including mercury pressure,nuclear magnetic resonance(NMR)and core(wateroil)displacement,are used to examine the effects of high-multiple water injection(i.e.water injection with high injected por...Experimental methods,including mercury pressure,nuclear magnetic resonance(NMR)and core(wateroil)displacement,are used to examine the effects of high-multiple water injection(i.e.water injection with high injected pore volume)on rock properties,pore structure and oil displacement efficiency of an oilfield in the western South China Sea.The results show an increase in the permeability of rocks along with particle migration,an increase in the pore volume and the average pore throat radius,and enhanced heterogeneity after high-multiple water injection.Compared with normal water injection methods,a high-multiple water injection is more effective in improving the oil displacement efficiency.The degree of recovery increases faster in the early stage due to the expansion of the swept area,and the transition from oil-wet to water-wet.The degree of recovery increases less in the late stage due to various factors,including the enhancement of heterogeneity in the rocks.Considering both the economic aspect and the production limit of water flooding,it is recommended to adopt other technologies to further enhance oil recovery after 300 PV water injection.展开更多
Alkaline water electrolysis(AWE)is the most mature technology for hydrogen production by water electrolysis.Alkaline water electrolyzer consists of multiple electrolysis cells,and a single cell consists of a diaphragm...Alkaline water electrolysis(AWE)is the most mature technology for hydrogen production by water electrolysis.Alkaline water electrolyzer consists of multiple electrolysis cells,and a single cell consists of a diaphragm,electrodes,bipolar plates and end plates,etc.The existing industrial bipolar plate channel is concave-convex structure,which is manufactured by complicated and high-cost mold punching.This structure still results in uneven electrolyte flow and low current density in the electrolytic cell,further increasing in energy consumption and cost of AWE.Thereby,in this article,the electrochemical and flow model is firstly constructed,based on the existing industrial concave and convex flow channel structure of bipolar plate,to study the current density,electrolyte flow and bubble distribution in the electrolysis cell.The reliability of the model was verified by comparison with experimental data in literature.Among which,the electrochemical current density affects the bubble yield,on the other hand,the generated bubbles cover the electrode surface,affecting the active specific surface area and ohmic resistance,which in turn affects the electrochemical reaction.The result indicates that the flow velocity near the bottom of the concave ball approaches zero,while the flow velocity on the convex ball surface is significantly higher.Additionally,vortices are observed within the flow channel structure,leading to an uneven distribution of electrolyte.Next,modelling is used to optimize the bipolar plate structure of AWE by simulating the electrochemistry and fluid flow performances of four kinds of structures,namely,concave and convex,rhombus,wedge and expanded mesh,in the bipolar plate of alkaline water electrolyzer.The results show that the expanded mesh channel structure has the largest current density of 3330 A/m^(2)and electrolyte flow velocity of 0.507 m/s in the electrolytic cell.Under the same current density,the electrolytic cell with the expanded mesh runner structure has the smallest potential and energy consumption.This work provides a useful guide for the comprehensive understanding and optimization of channel structures,and a theoretical basis for the design of large-scale electrolyzer.展开更多
Transition-metal phosphides(TMPs)with high catalytic activity are widely used in the design of electrodes for water splitting.However,a major challenge is how to achieve the trade-off between activity and stability of...Transition-metal phosphides(TMPs)with high catalytic activity are widely used in the design of electrodes for water splitting.However,a major challenge is how to achieve the trade-off between activity and stability of TMPs.Herein,a novel method for synthesizing CoP nanoparticles encapsu-lated in a rich-defect carbon shell(CoP/DCS)is developed through the self-assembly of modified polycyclic aromatic molecules.The graft and removal of high-activity C-N bonds of aromatic molecules render the controllable design of crystallite defects of carbon shell.The density functional theory calculation indicates that the carbon defects with unpaired electrons could effectively tailor the band structure of CoP.Benefiting from the improved activity and corrosion resistance,the CoP/DCS delivers outstanding difunctional hydrogen evolution reaction(88 mV)and oxygen evolution reaction(251 mV)performances at 10 mA cm^(−2)current density.Furthermore,the coupled water electrolyzer with CoP/DCS as both the cathode and anode presents ultralow cell voltages of 1.49 V to achieve 10 mA cm^(−2)with long-time stability.This strategy to improve TMPs electrocatalyst with rich-DCS and heterogeneous structure will inspire the design of other transition metal compound electrocatalysts for water splitting.展开更多
Recent damages to the box-like structures caused by wave slamming have made it necessary to study the impact problems of this kind of structure. This paper showed findings from numerical simulations of the rigid/elast...Recent damages to the box-like structures caused by wave slamming have made it necessary to study the impact problems of this kind of structure. This paper showed findings from numerical simulations of the rigid/elastic structures, aiming to gain insights into the characteristics of the problem. The results of the rigid cases showed the significance of air compressibility during the impact process, while the slamming phenomena became quite different without the effect. In the elastic cases, the trapped air made the structure vibrate at frequencies much smaller than its eigenfrequencies. Besides, the structural deformation made it easy for the trapped air to escape outwards, which weakened the air cushioning effect, especially at high impact velocities. The above analysis gives the results when the structural symmetry axis was vertical to the water(vertical impacts). In addition, the results were given when the axis was oblique to the water(oblique impacts). Compared with the vertical cases, the impact phenomena and structural response showed asymmetry. This work used the computational fluid dynamics(CFD) method to describe fluid motion and the finite element method(FEM) for the deformable structure. A two-way coupling approach was used to deal with the fluid-structure interaction in the elastic cases.展开更多
Compared to conventional electrocatalytic water splitting,electrocatalytic ethanol oxidation reaction(EOR)along with hydrogen production is considered a more energy-efficient strategy.Herein,we prepared a type of nove...Compared to conventional electrocatalytic water splitting,electrocatalytic ethanol oxidation reaction(EOR)along with hydrogen production is considered a more energy-efficient strategy.Herein,we prepared a type of novel quaternary alloy catalyst(PtAuCuNi@NF)that exhibits excellent activity for EOR(0.215 V at 10 mA cm^(-2))and hydrogen evolution reaction(HER)(7 mV at 10 mA cm^(-2)).Experimental results demonstrated that both Cu and Ni modulated the electronic environment around Pt and Au.The electron-rich active center facilitates the rapid adsorption and dissociation of reactants and intermediates for both EOR and HER.Impressively,in the ethanol-assisted overall water splitting(E-OWS),a current density of 10 mA cm^(-2)was achieved at 0.28 V.Moreover,an advanced acid-base self-powered system(A-Bsps)that can achieve a self-powered voltage of 0.59 V was assembled.Accordingly,the self-driven hydrogen production with zero external power supply was realized by integrating A-Bsps with the E-OWS equipment.The interesting results can provide a feasible strategy for designing and developing advanced nanoalloy-based materials for clean energy integration and use in various fields.展开更多
The development of efficient nonprecious bifunctional electrocatalysts for water electrolysis is crucial to enhance the sluggish kinetics of the oxygen evolution reaction(OER)and hydrogen evolution reaction(HER).A sel...The development of efficient nonprecious bifunctional electrocatalysts for water electrolysis is crucial to enhance the sluggish kinetics of the oxygen evolution reaction(OER)and hydrogen evolution reaction(HER).A self-supporting,multiscale porous NiFeZn/NiZn-Ni catalyst with a triple interface heterojunction on nickel foam(NF)(NiFeZn/NiZn-Ni/NF)was in-situ fabricated using an electroplating-annealing-etching strategy.The unique multiinterface engineering and three-dimensional porous scaffold significantly modify the mass transport and electron interaction,resulting in superior bifunctional electrocatalytic performance for water splitting.The NiFeZn/NiZn-Ni/NF catalyst demonstrates low overpotentials of 187 m V for HER and 320 mV for OER at a current density of 600 mA/cm^(2),along with high durability over 150 h in alkaline solution.Furthermore,an electrolytic cell assembled with NiFeZn/NiZn-Ni/NF as both the cathode and anode achieves the current densities of 600 and 1000 m A/cm^(2) at cell voltages of 1.796 and 1.901 V,respectively,maintaining the high stability at 50 mA/cm^(2) for over 100 h.These findings highlight the potential of NiFeZn/NiZn-Ni/NF as a cost-effective and highly efficient bifunctional electrocatalyst for overall water splitting.展开更多
Transition metal phosphides(TMPs)have emerged as an alternative to precious metals as efficient and low-cost catalysts for water electrolysis.Elemental doping and morphology control are effective approaches to further...Transition metal phosphides(TMPs)have emerged as an alternative to precious metals as efficient and low-cost catalysts for water electrolysis.Elemental doping and morphology control are effective approaches to further improve the performance of TMPs.Herein,Fe-doped CoP nanoframes(Fe-CoP NFs)with specific open cage configuration were designed and synthesized.The unique nano-framework structured Fe-CoP material shows overpotentials of only 255 and 122 mV at 10 mA cm^(−2)for oxygen evolution reaction(OER)and hydrogen evolution reaction(HER),respectively,overwhelming most transition metal phosphides.For overall water splitting,the cell voltage is 1.65 V for Fe-CoP NFs at a current density of 10 mA cm^(−2),much superior to what is observed for the classical nanocubic structures.Fe-CoP NFs show no activity degradation up to 100 h which contrasts sharply with the rapidly decaying performance of noble metal catalyst reference.The superior electrocatalytic performance of Fe-CoP NFs due to abundant accessible active sites,reduced kinetic energy barrier,and preferable*O-containing intermediate adsorption is demonstrated through experimental observations and theoretical calculations.Our findings could provide a potential method for the preparation of multifunctional material with hollow structures and offer more hopeful prospects for obtaining efficient earth-abundant catalysts for water splitting.展开更多
To investigate the relationship between grain sizes, seepage capacity, and oil-displacement efficiency in the Liushagang Formation of the Beibuwan Basin, this study identifies the multistage pore-throat structure as a...To investigate the relationship between grain sizes, seepage capacity, and oil-displacement efficiency in the Liushagang Formation of the Beibuwan Basin, this study identifies the multistage pore-throat structure as a crucial factor through a comparison of oil displacement in microscopic pore-throat experiments. The two-phase flow evaluation method based on the Li-Horne model is utilized to effectively characterize and quantify the seepage characteristics of different reservoirs, closely relating them to the distribution of microscopic pores and throats. It is observed that conglomerate sandstones at different stages exhibit significant heterogeneity and noticeable differences in seepage capacity, highlighting the crucial role played by certain large pore throats in determining seepage capacity and oil displacement efficiency. Furthermore, it was found that the displacement effects of conglomeratic sandstones with strong heterogeneity were inferior to those of conventional homogeneous sandstone, as evidenced by multiple displacement experiments conducted on core samples with varying granularities and flooding systems. Subsequently, core-based experiments on associated gas flooding after water flooding were conducted to address the challenge of achieving satisfactory results in a single displacement mode for reservoirs with significant heterogeneity. The results indicate that the oil recovery rates for associated gas flooding after water flooding increased by 7.3%-16.4% compared with water flooding alone at a gas-oil ratio of approximately 7000 m^(3)/m^(3). Therefore, considering the advantages of gas flooding in terms of seepage capacity, oil exchange ratio, and the potential for two-phase production, gas flooding is recommended as an energy supplement mode for homogeneous reservoirs in the presence of sufficient gas source and appropriate tectonic angle. On the other hand, associated gas flooding after water flooding is suggested to achieve a more favorable development effect compared to a single mode of energy supplementation for strongly heterogeneous sandstone reservoirs.展开更多
The unfrozenwater content(UWC)is a crucial parameter that affects the strength and thermal properties of rocks in relation to engineering construction and geological disasters in cold regions.In this study,three diffe...The unfrozenwater content(UWC)is a crucial parameter that affects the strength and thermal properties of rocks in relation to engineering construction and geological disasters in cold regions.In this study,three different methods were employed to test and estimate the UWC of saturated sandstones,including nuclear magnetic resonance(NMR),mercury intrusion porosimetry(MIP),and ultrasonic methods.The NMR method enabled the direct measurement of the UWC of sandstones using the free induction decay(FID).The MIP method was used to analyze the pore structures of sandstones,with the UWC subsequently calculated based on pore ice crystallization.Therefore,the MIP test constituted an indirect measurement method.Furthermore,a correlation was established between the P-wave velocity and the UWC of these sandstones based on the mixture theory,which could be employed to estimate the UWC as an empirical method.All methods demonstrated that the UWC initially exhibited a rapid decrease from 0C to5C and then generally became constant beyond20C.However,these test methods had different characteristics.The NMR method was used to directly and accurately calculate the UWC in the laboratory.However,the cost and complexity of NMR equipment have precluded its use in the field.The UWC can be effectively estimated by the MIP test,but the estimation accuracy is influenced by the ice crystallization process and the pore size distribution.The P-wave velocity has been demonstrated to be a straightforward and practical empirical parameter and was utilized to estimate the UWC based on the mixture theory.This method may be more suitable in the field.All methods confirmed the existence of a hysteresis phenomenon in the freezing-thawing process.The average hysteresis coefficient was approximately 0.538,thus validating the GibbseThomson equation.This study not only presents alternative methodologies for estimating the UWC of saturated sandstones but also contribute to our understanding of the freezing-thawing process of pore water.展开更多
Recent discoveries have revealed a groundbreaking phenomenon where light alone, without any thermal input, can induce water evaporation, termed the “photomolecular effect”. This study explores a novel hypothesis tha...Recent discoveries have revealed a groundbreaking phenomenon where light alone, without any thermal input, can induce water evaporation, termed the “photomolecular effect”. This study explores a novel hypothesis that this effect can be explained by ortho-para magnetic spin interactions in water molecules within the water-air interface layer. Water molecules, consisting of hydrogen and oxygen, exhibit different nuclear spin states: ortho-(triplet) and para-(singlet). The interaction of polarized light with these spin states may induce transitions between the rotational levels of ortho- and para-forms due to catalysts like triplet oxygen (O2) in its inhomogeneous magnetic field. Resonance pumping at 532 nm (~18,797 cm−1) due to the transition v1-v2-v3 ~ 0-8-2 (~18,796 cm−1) results in an increase in molecular energy sufficient to overcome intermolecular forces at the water surface, thereby causing evaporation. The proposed ortho-para conversion mechanism involves spin-orbit coupling and specific resonance conditions. This theory provides a quantum mechanical perspective on the photomolecular effect, potentially offering insights into natural processes such as cloud formation and climate modeling, as well as practical applications in solar desalination and industrial drying. Further experimental validation is required to confirm the role of spin interactions in light-induced water evaporation.展开更多
Cropping structure has a close relationship with the optimal allocation of agricultural water resources. Based on the analysis of the relationship between agricultural water resources and sustainable development, this...Cropping structure has a close relationship with the optimal allocation of agricultural water resources. Based on the analysis of the relationship between agricultural water resources and sustainable development, this paper presents a multi objective fuzzy optimization model for cropping structure and water allocation, which overcomes the shortcoming of current models that only considered the economic objective,and ignored the social and environmental objectives. During the process, a new method named fuzzy deciding weight is developed to decide the objective weight. A case study shows that the model is reliable, the method is simple and objective, and the results are reasonable. This model is useful for agricultural management and sustainable development.展开更多
The structure difference between light and heavy liquid water has been systematically in- vestigated by high precision Raman spectroscopy over the temperature range of 5-85℃. Distinct difference between the Raman spe...The structure difference between light and heavy liquid water has been systematically in- vestigated by high precision Raman spectroscopy over the temperature range of 5-85℃. Distinct difference between the Raman spectral profiles of two different liquid waters is clearly observed. By analyzing the temperature-dependent Raman spectral contour using global fitting procedure, it is found that the micro-structure of heavy water is more ordered than that of light water at the same temperature, and the structure difference between the light and heavy water decreases with the increase of the temperature. The temperature off- set, an indicator for the structure difference, is determined to vary from 28 ℃ to 18 ℃ for the low-to-high temperature. It indicates that quantum effect is significantly not only at low temperature, but also at room temperature. The interaction energy among water molecules has also been estimated from van't Hoff's relationship. The detailed structural information should help to develop reliable force fields for molecular modeling of liquid water.展开更多
[Objective] This comparative experiment was to explore the soil loss con- trol effects under cultivation combination of different soil and vegetation types, and to provide scientific basis for the upcoming pilot proje...[Objective] This comparative experiment was to explore the soil loss con- trol effects under cultivation combination of different soil and vegetation types, and to provide scientific basis for the upcoming pilot project of ecological recovery. [Method] Both the rudiment of water locomotion functioned by micro-landscape structures and different spatial combinations of various landscape constituents are considered, thus, the combination of multi-soil type, crop species and site conditions is designed in three different experimental sites. [Result] Soil loss estimates in experiments in South Wello significantly depended on various soil type, slope, vegetation and type of con- servation structure; grass cover tremendously reduces soil loss; legume cultivation performed better than cereal cultivation in soil loss control. [Conclusion] By conduct- ing the data analysis of the experiment, a scientific reference is proposed to the agri- culture planting and protective mode for the alleviation of water and soil loss in Amhara Region, Ethiopia.展开更多
Water is a key restricting factor of the economic development and eco-environmental protection in arid inland river basins of Northwest China. Although water supplies are short, the water utilization structure and the...Water is a key restricting factor of the economic development and eco-environmental protection in arid inland river basins of Northwest China. Although water supplies are short, the water utilization structure and the corresponding industrial structure are unbalanced. We constructed a System Dynamic Model for mutual optimization based on the mechanism of their interaction. This model is applied to the Heihe River Basin where the share of limited water resources among ecosystem, production and human living is optimized. Results show that, by mutual optimization, the water utilization structure and the industrial structures fit in with each other. And the relationships between the upper, middle and lower reaches of the Heihe River Basin can be harmonized. Mutual benefits of ecology, society and economy can be reached, and a sustainable ecology-production-living system can be obtained. This study gives a new insight and method for the sustainable utilization of water resources in arid inland river basins.展开更多
First-principles, all-electron, ab initio calculations have been performed to construct an equivalent water potential for the electronic structure of serine (Ser) in solution. The calculation is composed of three st...First-principles, all-electron, ab initio calculations have been performed to construct an equivalent water potential for the electronic structure of serine (Ser) in solution. The calculation is composed of three steps. The first step is to search for the configuration of the Ser _ nH2O system with a minimum energy. The second step is to calculate the electronic structure of Ser with the water molecule potential via the self-consistent cluster-embedding method (SCCE), based on the result obtained in the first step. The last step is to calculate the electronic structure of Set with the dipole potential after replacing the water molecules with dipoles. The results show that the occupied states of Ser are raised by about 0.017 Ry on average due to the effect of water. The water effect can be successfully simulated by using the dipole potential. The obtained equivalent potential can be applied directly to the electronic structure calculation of protein in solution by using the SCCE method.展开更多
Steam-cured condition is found to cause larger porosity and worse properties of concrete compared with normal curing condition. For the sake of seeking effective measurements to eliminate this bad effect of steam-cure...Steam-cured condition is found to cause larger porosity and worse properties of concrete compared with normal curing condition. For the sake of seeking effective measurements to eliminate this bad effect of steam-cured condition on concrete, the water sorptivity and pore structure of steam-cured concretes exposed to different subsequent curing conditions were investigated after steam-curing treatment. The capillary absorption coefficient and porosity of the corresponding concretes were analyzed, and their mechanisms were also discussed. The results indicate that water sorptivity and pore structure of steam-cured concrete are greatly influenced by the curing condition used in subsequent ages. Exposure steam-cured concrete to air condition has an obviously bad effect on its properties and microstructures. Adopting subsequent curing of immersing steam-cured concrete into about 20℃ water after steam curing period can significantly decrease its capillary absorption coefficient and porosity. Steam-cured concrete with 7 d water curing has minimum capillary absorption coefficient and total porosity. Its water sorptivity is decreased by 23% compared with standard curing concrete and the porosity is 9.6% lower. Moreover, the corresponding gradient of water sorptivity and porosity of steam-cured concrete both decrease, thus mictostructure of concrete becomes more homogeneous.展开更多
基金supported by the National Key Research and Development Program of China (Grant No.2018YFA0702400)the National Natural Science Foundation of China (Grant No.52174050)+1 种基金the Natural Science Foundation of Shandong Province (Grant No.ZR2020ME088)the National Natural Science Foundation of Qingdao (Grant No.23-2-1-227-zyyd-jch)。
文摘Hot water flooding is an effective way to develop heavy oil reservoirs.However,local channeling channels may form,possibly leading to a low thermal utilization efficiency and high water cut in the reservoir.The pore structure heterogeneity is an important factor in forming these channels.This study proposes a method that mixes quartz sand with different particle sizes to prepare weakly heterogeneous and strongly heterogeneous models through which hot water flooding experiments are conducted.During the experiments,computer tomography(CT)scanning identifies the pore structure and micro remaining oil saturation distribution to analyze the influence of the pore structure heterogeneity on the channeling channels.The oil saturation reduction and average pore size are divided into three levels to quantitatively describe the relationship between the channeling channel distribution and pore structure heterogeneity.The zone where oil saturation reduction exceeds 20%is defined as a channeling channel.The scanning area is divided into 180 equally sized zones based on the CT scanning images,and threedimensional(3D)distributions of the channeling channels are developed.Four micro remaining oil distribution patterns are proposed,and the morphology characteristics of micro remaining oil inside and outside the channeling channels are analyzed.The results show that hot water flooding is more balanced in the weakly heterogeneous model,and the oil saturation decreases by more than 20%in most zones without narrow channeling channels forming.In the strongly heterogeneous model,hot water flooding is unbalanced,and three narrow channeling channels of different lengths form.In the weakly heterogeneous model,the oil saturation reduction is greater in zones with larger pores.The distribution range of the average pore size is larger in the strongly heterogeneous model.The network remaining oil inside the channeling channels is less than outside the channeling channels,and the hot water converts the network remaining oil into cluster,film,and droplet remaining oil.
文摘Secondary electron emission(SEE)has emerged as a critical issue in next-generation accelerators.Mitigating SEE on metal surfaces is crucial for enhancing the stability and emittance of particle accelerators while extending their lifespan.This paper explores the application of laser-assisted water jet technology in constructing high-quality micro-trap structures on 316L stainless steel,a key material in accelerator manufacturing.The study systematically analyzes the impact of various parameters such as laser repetition frequency,pulse duration,average power,water jet pressure,repeat times,nozzle offset,focal position,offset distance between grooves,and processing speed on the surface morphology of stainless steel.The findings reveal that micro-groove depth increases with higher laser power but decreases with increasing water jet pressure and processing speed.Interestingly,repeat times have minimal effect on depth.On the other hand,micro-groove width increases with higher laser power and repeat times but decreases with processing speed.By optimizing these parameters,the researchers achieved high-quality pound sign-shaped trap structure with consistent dimensions.We tested the secondary electron emission coefficient of the"well"structure.The coefficient is reduced by 0.5 at most compared to before processing,effectively suppressing secondary electron emission.These results offer indispensable insights for the fabrication of micro-trap structures on material surfaces.Laser-assisted water jet technology demonstrates considerable potential in mitigating SEE on metal surfaces.
基金financial support from the National Key R&D Program(2023YFE0108000)the Academy of Sciences Project of Guangdong Province(2019GDASYL-0102007,2021GDASYL-20210103063)+1 种基金GDAS’Project of Science and Technology Development(2022GDASZH-2022010203-003)financial support from the China Scholarship Council(202108210128)。
文摘An advantageous porous architecture of electrodes is pivotal in significantly enhancing alkaline water electrolysis(AWE)efficiency by optimizing the mass transport mechanisms.This effect becomes even more pronounced when aiming to achieve elevated current densities.Herein,we employed a rapid and scalable laser texturing process to craft novel multi-channel porous electrodes.Particularly,the obtained electrodes exhibit the lowest Tafel slope of 79 mV dec^(-1)(HER)and 49 mV dec^(-1)(OER).As anticipated,the alkaline electrolyzer(AEL)cell incorporating multi-channel porous electrodes(NP-LT30)exhibited a remarkable improvement in cell efficiency,with voltage drops(from 2.28 to 1.97 V)exceeding 300 mV under 1 A cm^(-1),compared to conventional perforated Ni plate electrodes.This enhancement mainly stemmed from the employed multi-channel porous structure,facilitating mass transport and bubble dynamics through an innovative convection mode,surpassing the traditional convection mode.Furthermore,the NP-LT30-based AEL cell demonstrated exceptional durability for 300 h under 1.0 A cm^(-2).This study underscores the capability of the novel multi-channel porous electrodes to expedite mass transport in practical AWE applications.
基金supported by the National Natural Science Foundation of China(Grant Nos.42027806 and 42041006)。
文摘The size of pores or the grille spacing of water–sediment separation structures directly affects their regulation effect on the debris flow performance.A suitable pore size or grille spacing can effectively improve the water–sediment separation ability of the structure.The new funnel-type grating water–sediment separation structure(FGWSS)combines vertical and horizontal structures and provides a satisfactory water–sediment separation effect.However,the regulation effect of the grille spacing of the structure on the debris flow performance has not been studied.The regulation effect of the structure grille spacing on the debris flow performance is studied through a flume test,and the optimal structure grille spacing is obtained.An empirical equation of the relationship between the relative grille spacing of the structure and the sediment separation rate is established.Finally,the influence of the water–sediment separation structure on the regulation effect of debris flows is examined from two aspects:external factors(properties of debris flows)and internal factors(structural factors).The experimental results show that the gradation characteristics of solid particles in debris flows constitute a key factor affecting the regulation effect of the structure on the debris flow performance.The optimum grille spacing of the FGWSS matches the particle size corresponding to the material distribution curves d85~d90 of the debris flow.The total separation rate of debris flow particles is related to the grille spacing of the structure and the content of coarse and fine particles in the debris flow.
文摘Experimental methods,including mercury pressure,nuclear magnetic resonance(NMR)and core(wateroil)displacement,are used to examine the effects of high-multiple water injection(i.e.water injection with high injected pore volume)on rock properties,pore structure and oil displacement efficiency of an oilfield in the western South China Sea.The results show an increase in the permeability of rocks along with particle migration,an increase in the pore volume and the average pore throat radius,and enhanced heterogeneity after high-multiple water injection.Compared with normal water injection methods,a high-multiple water injection is more effective in improving the oil displacement efficiency.The degree of recovery increases faster in the early stage due to the expansion of the swept area,and the transition from oil-wet to water-wet.The degree of recovery increases less in the late stage due to various factors,including the enhancement of heterogeneity in the rocks.Considering both the economic aspect and the production limit of water flooding,it is recommended to adopt other technologies to further enhance oil recovery after 300 PV water injection.
基金financially supported by the National Natural Science Foundation of China(No.52074130)the Engineering Research Center of Resource Utilization of Carbon-containing Waste with Carbon Neutrality,Ministry of Education。
文摘Alkaline water electrolysis(AWE)is the most mature technology for hydrogen production by water electrolysis.Alkaline water electrolyzer consists of multiple electrolysis cells,and a single cell consists of a diaphragm,electrodes,bipolar plates and end plates,etc.The existing industrial bipolar plate channel is concave-convex structure,which is manufactured by complicated and high-cost mold punching.This structure still results in uneven electrolyte flow and low current density in the electrolytic cell,further increasing in energy consumption and cost of AWE.Thereby,in this article,the electrochemical and flow model is firstly constructed,based on the existing industrial concave and convex flow channel structure of bipolar plate,to study the current density,electrolyte flow and bubble distribution in the electrolysis cell.The reliability of the model was verified by comparison with experimental data in literature.Among which,the electrochemical current density affects the bubble yield,on the other hand,the generated bubbles cover the electrode surface,affecting the active specific surface area and ohmic resistance,which in turn affects the electrochemical reaction.The result indicates that the flow velocity near the bottom of the concave ball approaches zero,while the flow velocity on the convex ball surface is significantly higher.Additionally,vortices are observed within the flow channel structure,leading to an uneven distribution of electrolyte.Next,modelling is used to optimize the bipolar plate structure of AWE by simulating the electrochemistry and fluid flow performances of four kinds of structures,namely,concave and convex,rhombus,wedge and expanded mesh,in the bipolar plate of alkaline water electrolyzer.The results show that the expanded mesh channel structure has the largest current density of 3330 A/m^(2)and electrolyte flow velocity of 0.507 m/s in the electrolytic cell.Under the same current density,the electrolytic cell with the expanded mesh runner structure has the smallest potential and energy consumption.This work provides a useful guide for the comprehensive understanding and optimization of channel structures,and a theoretical basis for the design of large-scale electrolyzer.
基金Youth Innovation Promotion Association of the Chinese Academy of Sciences,Grant/Award Number:2021174National Natural Science Foundation of China,Grant/Award Number:51902326Natural Science Foundation of Shanxi Province,Grant/Award Numbers:201901D211588,20210302124421。
文摘Transition-metal phosphides(TMPs)with high catalytic activity are widely used in the design of electrodes for water splitting.However,a major challenge is how to achieve the trade-off between activity and stability of TMPs.Herein,a novel method for synthesizing CoP nanoparticles encapsu-lated in a rich-defect carbon shell(CoP/DCS)is developed through the self-assembly of modified polycyclic aromatic molecules.The graft and removal of high-activity C-N bonds of aromatic molecules render the controllable design of crystallite defects of carbon shell.The density functional theory calculation indicates that the carbon defects with unpaired electrons could effectively tailor the band structure of CoP.Benefiting from the improved activity and corrosion resistance,the CoP/DCS delivers outstanding difunctional hydrogen evolution reaction(88 mV)and oxygen evolution reaction(251 mV)performances at 10 mA cm^(−2)current density.Furthermore,the coupled water electrolyzer with CoP/DCS as both the cathode and anode presents ultralow cell voltages of 1.49 V to achieve 10 mA cm^(−2)with long-time stability.This strategy to improve TMPs electrocatalyst with rich-DCS and heterogeneous structure will inspire the design of other transition metal compound electrocatalysts for water splitting.
基金financially supported by the National Key Research and Development Program of China (Grant No. 2019YFC1407700)。
文摘Recent damages to the box-like structures caused by wave slamming have made it necessary to study the impact problems of this kind of structure. This paper showed findings from numerical simulations of the rigid/elastic structures, aiming to gain insights into the characteristics of the problem. The results of the rigid cases showed the significance of air compressibility during the impact process, while the slamming phenomena became quite different without the effect. In the elastic cases, the trapped air made the structure vibrate at frequencies much smaller than its eigenfrequencies. Besides, the structural deformation made it easy for the trapped air to escape outwards, which weakened the air cushioning effect, especially at high impact velocities. The above analysis gives the results when the structural symmetry axis was vertical to the water(vertical impacts). In addition, the results were given when the axis was oblique to the water(oblique impacts). Compared with the vertical cases, the impact phenomena and structural response showed asymmetry. This work used the computational fluid dynamics(CFD) method to describe fluid motion and the finite element method(FEM) for the deformable structure. A two-way coupling approach was used to deal with the fluid-structure interaction in the elastic cases.
基金supported by the Key projects of intergovernmental international cooperation in the Key R&D programs of the Ministry of Science and Technology of China(No.2021YFE0115800)the National Science Funding Committee of China(No.U20A20250)。
文摘Compared to conventional electrocatalytic water splitting,electrocatalytic ethanol oxidation reaction(EOR)along with hydrogen production is considered a more energy-efficient strategy.Herein,we prepared a type of novel quaternary alloy catalyst(PtAuCuNi@NF)that exhibits excellent activity for EOR(0.215 V at 10 mA cm^(-2))and hydrogen evolution reaction(HER)(7 mV at 10 mA cm^(-2)).Experimental results demonstrated that both Cu and Ni modulated the electronic environment around Pt and Au.The electron-rich active center facilitates the rapid adsorption and dissociation of reactants and intermediates for both EOR and HER.Impressively,in the ethanol-assisted overall water splitting(E-OWS),a current density of 10 mA cm^(-2)was achieved at 0.28 V.Moreover,an advanced acid-base self-powered system(A-Bsps)that can achieve a self-powered voltage of 0.59 V was assembled.Accordingly,the self-driven hydrogen production with zero external power supply was realized by integrating A-Bsps with the E-OWS equipment.The interesting results can provide a feasible strategy for designing and developing advanced nanoalloy-based materials for clean energy integration and use in various fields.
基金financially supported from the National Natural Science Foundation of China(No.52201254)the Natural Science Foundation of Shandong Province,China(Nos.ZR2023ME155,ZR2020MB090,ZR2020QE012,ZR2020MB027)+1 种基金the Project of“20 Items of University”of Jinan,China(No.202228046)the Taishan Scholar Project of Shandong Province,China(No.tsqn202306226)。
文摘The development of efficient nonprecious bifunctional electrocatalysts for water electrolysis is crucial to enhance the sluggish kinetics of the oxygen evolution reaction(OER)and hydrogen evolution reaction(HER).A self-supporting,multiscale porous NiFeZn/NiZn-Ni catalyst with a triple interface heterojunction on nickel foam(NF)(NiFeZn/NiZn-Ni/NF)was in-situ fabricated using an electroplating-annealing-etching strategy.The unique multiinterface engineering and three-dimensional porous scaffold significantly modify the mass transport and electron interaction,resulting in superior bifunctional electrocatalytic performance for water splitting.The NiFeZn/NiZn-Ni/NF catalyst demonstrates low overpotentials of 187 m V for HER and 320 mV for OER at a current density of 600 mA/cm^(2),along with high durability over 150 h in alkaline solution.Furthermore,an electrolytic cell assembled with NiFeZn/NiZn-Ni/NF as both the cathode and anode achieves the current densities of 600 and 1000 m A/cm^(2) at cell voltages of 1.796 and 1.901 V,respectively,maintaining the high stability at 50 mA/cm^(2) for over 100 h.These findings highlight the potential of NiFeZn/NiZn-Ni/NF as a cost-effective and highly efficient bifunctional electrocatalyst for overall water splitting.
基金the China Scholarship Council(CSC)for the financial support(202206230096)D.Yu would like to thank the CSC for the Doctor scholarship(202006360037)+1 种基金J.Dutta would like to acknowledge the partial financial support of VINNOVA project no.2021-02313.PZhang would like to acknowledge partial financial support from the National Natural Science Foundation of China(Nos 52111530187,51972210).
文摘Transition metal phosphides(TMPs)have emerged as an alternative to precious metals as efficient and low-cost catalysts for water electrolysis.Elemental doping and morphology control are effective approaches to further improve the performance of TMPs.Herein,Fe-doped CoP nanoframes(Fe-CoP NFs)with specific open cage configuration were designed and synthesized.The unique nano-framework structured Fe-CoP material shows overpotentials of only 255 and 122 mV at 10 mA cm^(−2)for oxygen evolution reaction(OER)and hydrogen evolution reaction(HER),respectively,overwhelming most transition metal phosphides.For overall water splitting,the cell voltage is 1.65 V for Fe-CoP NFs at a current density of 10 mA cm^(−2),much superior to what is observed for the classical nanocubic structures.Fe-CoP NFs show no activity degradation up to 100 h which contrasts sharply with the rapidly decaying performance of noble metal catalyst reference.The superior electrocatalytic performance of Fe-CoP NFs due to abundant accessible active sites,reduced kinetic energy barrier,and preferable*O-containing intermediate adsorption is demonstrated through experimental observations and theoretical calculations.Our findings could provide a potential method for the preparation of multifunctional material with hollow structures and offer more hopeful prospects for obtaining efficient earth-abundant catalysts for water splitting.
基金supported by the Major Science and Technology Project(Nos.CNOOC-KJ 135 ZDXM 38 ZJ 01 ZJ,KJGG2021-0505) of CNOOC Co.,Ltd.of Chinathe National Natural Science Foundation of China(No.42002171)+2 种基金China Postdoctoral Science Foundation(Nos.2020TQ0299,2020M682520)Postdoctoral Innovation Science Foundation of Hubei Province of ChinaScientific Research Project of Zhanjiang Branch of CNOOC(No.ZYKY-2022-ZJ-02)。
文摘To investigate the relationship between grain sizes, seepage capacity, and oil-displacement efficiency in the Liushagang Formation of the Beibuwan Basin, this study identifies the multistage pore-throat structure as a crucial factor through a comparison of oil displacement in microscopic pore-throat experiments. The two-phase flow evaluation method based on the Li-Horne model is utilized to effectively characterize and quantify the seepage characteristics of different reservoirs, closely relating them to the distribution of microscopic pores and throats. It is observed that conglomerate sandstones at different stages exhibit significant heterogeneity and noticeable differences in seepage capacity, highlighting the crucial role played by certain large pore throats in determining seepage capacity and oil displacement efficiency. Furthermore, it was found that the displacement effects of conglomeratic sandstones with strong heterogeneity were inferior to those of conventional homogeneous sandstone, as evidenced by multiple displacement experiments conducted on core samples with varying granularities and flooding systems. Subsequently, core-based experiments on associated gas flooding after water flooding were conducted to address the challenge of achieving satisfactory results in a single displacement mode for reservoirs with significant heterogeneity. The results indicate that the oil recovery rates for associated gas flooding after water flooding increased by 7.3%-16.4% compared with water flooding alone at a gas-oil ratio of approximately 7000 m^(3)/m^(3). Therefore, considering the advantages of gas flooding in terms of seepage capacity, oil exchange ratio, and the potential for two-phase production, gas flooding is recommended as an energy supplement mode for homogeneous reservoirs in the presence of sufficient gas source and appropriate tectonic angle. On the other hand, associated gas flooding after water flooding is suggested to achieve a more favorable development effect compared to a single mode of energy supplementation for strongly heterogeneous sandstone reservoirs.
基金supported by the National Natural Science Foundation of China(Grant No.42377191)Hubei Provincial Natural Science Foundation of China(Grant No.2021CFA094)“The 14th Five Year Plan”Hubei Provincial advantaged characteristic disciplines(groups)project of Wuhan University of Science and Technology(Grant No.2023A0303)。
文摘The unfrozenwater content(UWC)is a crucial parameter that affects the strength and thermal properties of rocks in relation to engineering construction and geological disasters in cold regions.In this study,three different methods were employed to test and estimate the UWC of saturated sandstones,including nuclear magnetic resonance(NMR),mercury intrusion porosimetry(MIP),and ultrasonic methods.The NMR method enabled the direct measurement of the UWC of sandstones using the free induction decay(FID).The MIP method was used to analyze the pore structures of sandstones,with the UWC subsequently calculated based on pore ice crystallization.Therefore,the MIP test constituted an indirect measurement method.Furthermore,a correlation was established between the P-wave velocity and the UWC of these sandstones based on the mixture theory,which could be employed to estimate the UWC as an empirical method.All methods demonstrated that the UWC initially exhibited a rapid decrease from 0C to5C and then generally became constant beyond20C.However,these test methods had different characteristics.The NMR method was used to directly and accurately calculate the UWC in the laboratory.However,the cost and complexity of NMR equipment have precluded its use in the field.The UWC can be effectively estimated by the MIP test,but the estimation accuracy is influenced by the ice crystallization process and the pore size distribution.The P-wave velocity has been demonstrated to be a straightforward and practical empirical parameter and was utilized to estimate the UWC based on the mixture theory.This method may be more suitable in the field.All methods confirmed the existence of a hysteresis phenomenon in the freezing-thawing process.The average hysteresis coefficient was approximately 0.538,thus validating the GibbseThomson equation.This study not only presents alternative methodologies for estimating the UWC of saturated sandstones but also contribute to our understanding of the freezing-thawing process of pore water.
文摘Recent discoveries have revealed a groundbreaking phenomenon where light alone, without any thermal input, can induce water evaporation, termed the “photomolecular effect”. This study explores a novel hypothesis that this effect can be explained by ortho-para magnetic spin interactions in water molecules within the water-air interface layer. Water molecules, consisting of hydrogen and oxygen, exhibit different nuclear spin states: ortho-(triplet) and para-(singlet). The interaction of polarized light with these spin states may induce transitions between the rotational levels of ortho- and para-forms due to catalysts like triplet oxygen (O2) in its inhomogeneous magnetic field. Resonance pumping at 532 nm (~18,797 cm−1) due to the transition v1-v2-v3 ~ 0-8-2 (~18,796 cm−1) results in an increase in molecular energy sufficient to overcome intermolecular forces at the water surface, thereby causing evaporation. The proposed ortho-para conversion mechanism involves spin-orbit coupling and specific resonance conditions. This theory provides a quantum mechanical perspective on the photomolecular effect, potentially offering insights into natural processes such as cloud formation and climate modeling, as well as practical applications in solar desalination and industrial drying. Further experimental validation is required to confirm the role of spin interactions in light-induced water evaporation.
文摘Cropping structure has a close relationship with the optimal allocation of agricultural water resources. Based on the analysis of the relationship between agricultural water resources and sustainable development, this paper presents a multi objective fuzzy optimization model for cropping structure and water allocation, which overcomes the shortcoming of current models that only considered the economic objective,and ignored the social and environmental objectives. During the process, a new method named fuzzy deciding weight is developed to decide the objective weight. A case study shows that the model is reliable, the method is simple and objective, and the results are reasonable. This model is useful for agricultural management and sustainable development.
基金This work was supported by the National Key Basic Research Special Foundation (No.2013CB834602 and No.2010CB923300) and the National Natural Science Foundation of China (No.20925311, No.21273211, and No.21103158).
文摘The structure difference between light and heavy liquid water has been systematically in- vestigated by high precision Raman spectroscopy over the temperature range of 5-85℃. Distinct difference between the Raman spectral profiles of two different liquid waters is clearly observed. By analyzing the temperature-dependent Raman spectral contour using global fitting procedure, it is found that the micro-structure of heavy water is more ordered than that of light water at the same temperature, and the structure difference between the light and heavy water decreases with the increase of the temperature. The temperature off- set, an indicator for the structure difference, is determined to vary from 28 ℃ to 18 ℃ for the low-to-high temperature. It indicates that quantum effect is significantly not only at low temperature, but also at room temperature. The interaction energy among water molecules has also been estimated from van't Hoff's relationship. The detailed structural information should help to develop reliable force fields for molecular modeling of liquid water.
基金Supported by FAO of the United Nations under South-South Cooperation Program in Ethiopia(SSC/SPFS-FAO-ETHIOPIA-CHINA)~~
文摘[Objective] This comparative experiment was to explore the soil loss con- trol effects under cultivation combination of different soil and vegetation types, and to provide scientific basis for the upcoming pilot project of ecological recovery. [Method] Both the rudiment of water locomotion functioned by micro-landscape structures and different spatial combinations of various landscape constituents are considered, thus, the combination of multi-soil type, crop species and site conditions is designed in three different experimental sites. [Result] Soil loss estimates in experiments in South Wello significantly depended on various soil type, slope, vegetation and type of con- servation structure; grass cover tremendously reduces soil loss; legume cultivation performed better than cereal cultivation in soil loss control. [Conclusion] By conduct- ing the data analysis of the experiment, a scientific reference is proposed to the agri- culture planting and protective mode for the alleviation of water and soil loss in Amhara Region, Ethiopia.
基金Key Project of National Natural Science Foundation of China, No.40335049 National Natural Science Foundation of China, No.40471059
文摘Water is a key restricting factor of the economic development and eco-environmental protection in arid inland river basins of Northwest China. Although water supplies are short, the water utilization structure and the corresponding industrial structure are unbalanced. We constructed a System Dynamic Model for mutual optimization based on the mechanism of their interaction. This model is applied to the Heihe River Basin where the share of limited water resources among ecosystem, production and human living is optimized. Results show that, by mutual optimization, the water utilization structure and the industrial structures fit in with each other. And the relationships between the upper, middle and lower reaches of the Heihe River Basin can be harmonized. Mutual benefits of ecology, society and economy can be reached, and a sustainable ecology-production-living system can be obtained. This study gives a new insight and method for the sustainable utilization of water resources in arid inland river basins.
基金supported by the National Natural Science Foundation of China(Grant No 30470410)the Science and Technology Development Foundation of Shanghai,China(Grant No 03JC14070)
文摘First-principles, all-electron, ab initio calculations have been performed to construct an equivalent water potential for the electronic structure of serine (Ser) in solution. The calculation is composed of three steps. The first step is to search for the configuration of the Ser _ nH2O system with a minimum energy. The second step is to calculate the electronic structure of Ser with the water molecule potential via the self-consistent cluster-embedding method (SCCE), based on the result obtained in the first step. The last step is to calculate the electronic structure of Set with the dipole potential after replacing the water molecules with dipoles. The results show that the occupied states of Ser are raised by about 0.017 Ry on average due to the effect of water. The water effect can be successfully simulated by using the dipole potential. The obtained equivalent potential can be applied directly to the electronic structure calculation of protein in solution by using the SCCE method.
基金Project(2008G031-18) supported by the Ministry of Railway Science and Technology Research Foundation of ChinaProject(2010R50034) supported by the Key Science and Technology Innovation Team Program of Zhejiang Province, ChinaProject(2010QZZD018) supported by Leading-edge Research Program of Central South University,China
文摘Steam-cured condition is found to cause larger porosity and worse properties of concrete compared with normal curing condition. For the sake of seeking effective measurements to eliminate this bad effect of steam-cured condition on concrete, the water sorptivity and pore structure of steam-cured concretes exposed to different subsequent curing conditions were investigated after steam-curing treatment. The capillary absorption coefficient and porosity of the corresponding concretes were analyzed, and their mechanisms were also discussed. The results indicate that water sorptivity and pore structure of steam-cured concrete are greatly influenced by the curing condition used in subsequent ages. Exposure steam-cured concrete to air condition has an obviously bad effect on its properties and microstructures. Adopting subsequent curing of immersing steam-cured concrete into about 20℃ water after steam curing period can significantly decrease its capillary absorption coefficient and porosity. Steam-cured concrete with 7 d water curing has minimum capillary absorption coefficient and total porosity. Its water sorptivity is decreased by 23% compared with standard curing concrete and the porosity is 9.6% lower. Moreover, the corresponding gradient of water sorptivity and porosity of steam-cured concrete both decrease, thus mictostructure of concrete becomes more homogeneous.