To address the inefficient utilization of electrolytic manganese residue(EMR)caused by its high inert content,this study developed a multifunctional solid waste cementitious material by replacing 50-60%of ordinary Por...To address the inefficient utilization of electrolytic manganese residue(EMR)caused by its high inert content,this study developed a multifunctional solid waste cementitious material by replacing 50-60%of ordinary Portland cement(PO 42.5)with wet-ground electrolytic manganese residue(WEMR),wetground granulated blast-furnace slag(WGBFS),and carbide slag(CS).The mechanical properties,hydration characteristics,microstructure,and carbon emissions of the material were systematically investigated with varying WEMR dosages.The experimental results demonstrates that the wet-grinding process significantly refines the particle size and enhances the reactivity of both EMR and GBFS.As the WEMR dosage increases,the 28-day compressive strength initially rise and then declines.Optimal mechanical performance was achieved with 24%WEMR and 6%CS,yielding a 28-day compressive strength of 48.2 MPa.Advanced analytical techniques,including XRD,TG-DTG,SEM,and MIP,were employed to examine the hydration products.The findings reveal that the wet-grinding-alkali-sulfur synergistic activation system in the multi-solid waste cementitious material effectively utilize EMR to generate abundant hydration products such as AFt and C-(A)-S-H.Additionally,the fine particles of WEMR fill the pores in the mortar,further enhancing compressive strength.The cost and carbon emissions of this multifunctional system are only 65.97%and 46.9% of those of PO 42.5,respectively.This study provides a feasible approach for the efficient utilization of EMR,contributing to sustainable construction practices.展开更多
The rational design of high-performance electrochemical energy storage devices critically depends on a fundamental understanding of ion-electrode interactions at the molecular scale.Herein,we employ interpretable mach...The rational design of high-performance electrochemical energy storage devices critically depends on a fundamental understanding of ion-electrode interactions at the molecular scale.Herein,we employ interpretable machine learning(ML)to reveal electrolyte hydration energy as a universal descriptor governing ion-specific capacitance in two-dimensional(2D)materials.Through explainable ML,we elucidate how ion hydration shell stability and size critically influence charge transport and storage at the electrode-electrolyte interface.Our analysis identifies hydration energy-not ionic size-as the primary factor dictating capacitance,challenging prevailing assumptions and providing quantifiable design rules for electrolyte selection.These insights offer a data-driven pathway to optimize 2D materials for supercapacitors and beyond,including batteries and electrocatalytic systems.This work demonstrates the power of explainable artificial intelligence in uncovering molecular-level mechanisms that accelerate the discovery and development of next-generation energy storage technologies.展开更多
A green pregelatinized glutinous rice flour biological admixture was developed in this paper.The cement hydration process,hydration products,pore structure,and strength of mortar with different quantities of glutinous...A green pregelatinized glutinous rice flour biological admixture was developed in this paper.The cement hydration process,hydration products,pore structure,and strength of mortar with different quantities of glutinous rice flour(GRF),and the macroscopic changes in concrete cracking resistance testing were investigated.Simultaneously,a fast cracking resistance evaluation method based on graphic recognition was proposed.The results indicated that pregelatinized glutinous rice flour(T-GRF)delayed the dissolution rate of anhydrous cement during the induction period,shifting the main exothermic peak of hydration backward.The compressive strength developed slowly in 7-28 d age and returned to normal in 28-56 d.The compressive strength of T-GRF-0.6% modified mortar at 56 d age is less than 10% different from that of control group.The 3.0%T-GRF decreased the total porosity by 3%,and the average pore size decreased from 31.2 to 21.3 nm measured by MIP,indicating that T-GRF could inhibit harmful pores and densify concrete.The crack resistance coefficient of T-GRF modified concrete was obtained by image recognition method,and the GRF could decrease the length,width,and damaged area of cracks in the early age of concrete.展开更多
Curing temperature significantly affects the pozzolanic reaction kinetics of phosphorous slag(PS),thereby governing the early-age(7 d)hydration behavior of PS composite binders at 20,30,and 60℃.The Krstulovic-Dabic k...Curing temperature significantly affects the pozzolanic reaction kinetics of phosphorous slag(PS),thereby governing the early-age(7 d)hydration behavior of PS composite binders at 20,30,and 60℃.The Krstulovic-Dabic kinetic model was applied to identify three characteristic processes:nucleation and growth(NG),phase boundary interaction(I),and diffusion(D).Control mixtures containing inert quartz powder with comparable particle size distributions were prepared for comparison.Pore characteristics of hardened PS pastes at different temperatures were analyzed via mercury intrusion porosimetry,while hydration products were characterized using X-ray diffraction(XRD)and thermogravimetric analysis(TG-DTG).The experimental results indicate that the retarding effect of PS on early cement hydration outweighs its accelerating effect,attributed to the combined influence of nucleation and dilution,with retardation decreasing as temperature increases.PS exhibits early reactivity and continuously consumes calcium hydroxide through the pozzolanic reaction,as evidenced by stable phase assemblages accompanied by reduced CH content in XRD and TG-DTG analyses.At 20℃,increasing PS content maintains the NG→I→D mechanism but slows reaction rates across all stages.Elevated temperatures significantly accelerate the NG process,shifting the dominant mechanism from NG toward D.Simultaneously,enhanced PS reactivity contributes to a refined pore structure and improved compressive strength.展开更多
This study presents a novel approach to improving the anticorrosive performance of AZ31 Mg alloy by exploiting the role of the hydration reaction to induce interactions between Quinolin-8-ol(8HQ)molecules and the poro...This study presents a novel approach to improving the anticorrosive performance of AZ31 Mg alloy by exploiting the role of the hydration reaction to induce interactions between Quinolin-8-ol(8HQ)molecules and the porous MgO layer formed via plasma electrolytic oxidation(PEO).The AZ31 Mg alloy,initially coated with a PEO layer,underwent a dipping treatment in an ethanolic solution of 0.05 M 8HQ at 50℃ for 3 h.The results were compared with those from a different procedure where the PEO layer was subjected to a hydration reaction for 2 h at 90℃ before immersion in the 8HQ solution under the same conditions.The hydration treatment played a crucial role by converting MgO to Mg(OH)_(2),significantly enhancing the surface reactivity.This transformation introduced hydroxyl groups(−OH)on the surface,which facilitated donor-acceptor interactions with the electron-accepting sites on 8HQ molecules.The calculated binding energy(Ebinding)from DFT indicated that the interaction energy of 8HQ with Mg(OH)_(2) was lower compared to 8HQ with MgO,suggesting easier adsorption of 8HQ molecules on the hydrated surface.This,combined with the increased number of active sites and enhanced surface area,allowed for extensive surface coverage by 8HQ,leading to the formation of a stable,flake-like protective layer that sealed the majority of pores on the PEO layer.DFT calculations further suggested that the hydration treatment provided multiple active sites,enabling effective contact with 8HQ and rapid electron transfer,creating ideal conditions for charge-transfer-induced physical and chemical bonding.This study shows that hydration and 8HQ treatments significantly enhance the corrosion resistance of Mg alloys,highlighting their potential for advanced anticorrosive coatings.展开更多
In order to adjust some properties of cement grout or concrete,some mineral admixtures are usually added in the preparation.Admixtures can reduce the cement consumption and save the cost,and also adjust the workabilit...In order to adjust some properties of cement grout or concrete,some mineral admixtures are usually added in the preparation.Admixtures can reduce the cement consumption and save the cost,and also adjust the workability of the material,improve the strength and durability of the cement stone,or reduce hydration heat of the composite cement.At present,the content of fly ash or slag is generally less than 50%among the composite cementitious materials that have been studied more,but there is little research on composite cementitious materials with large mineral admixture.In this paper,XRD,SEM,and adiabatic temperature rise tests were used to discuss hydration products and mechanism of composite cement grout with 90%content of fly ash and slag.The results show that the hydration of the composite cement grout is an alkali-activated hydration reaction,and the hydration products are mainly amorphous substances such as hydrated calcium silicate or hydrated calcium aluminate gel.The hydration reaction temperature rise is much lower than that of ordinary cement grout,and the time of the temperature peak is significantly delayed.展开更多
In this work,several HZSM-5 catalysts with different Si/Al ratios treated with acids are selected as catalysts and used for hydration of cyclohexene to cyclohexanol.The results indicated that HZSM-5(Si/Al=38)modified ...In this work,several HZSM-5 catalysts with different Si/Al ratios treated with acids are selected as catalysts and used for hydration of cyclohexene to cyclohexanol.The results indicated that HZSM-5(Si/Al=38)modified with 4 mol·L^(-1) nitric acid was selected as an efficient catalyst for improving the hydration efficiency of cyclohexene.Furthermore,the microstructures and properties of fresh,used and regenerated acid-modified catalysts have been characterized by X-ray diffraction,scanning electron microscopy,nitrogen adsorption/desorption isotherm,Fourier transform infrared,thermal gravimetric analyzer,ammonia temperature programmed desorption and pyridine adsorbs Fourier transform infrared.The characterization results indicated that the total surface areas and pore volume of HZSM-5 zeolite increased after nitric acid treatment due to the formation of mesoporous structure.This benefits the diffusion rate of reactants and products,which improves the hydration efficiency and stability of the catalyst.Under the catalysis of HZSM-5,the conversion of cyclohexene was found to be 9.0%.However,treatment of HZSM-5 with nitric acid enhanced the conversion of cyclohexene to 12.2%,achieving a selectivity of 99.7%for cyclohexanol under optimal reaction conditions.This work affords a mild and efficient approach for improving the hydration efficiency and has potential industrial application value.展开更多
Growing concerns about greenhouse gas emissions from underground mining have intensified the need for carbon reduction strategies at every stage.Shotcrete used in tunnel support presents a promising opportunity for ca...Growing concerns about greenhouse gas emissions from underground mining have intensified the need for carbon reduction strategies at every stage.Shotcrete used in tunnel support presents a promising opportunity for carbon emission reduction.This study investigates the carbon absorption capacity,mechanical strength,and underlying mechanisms of shotcrete when exposed to varying CO_(2)concentrations during the mine support process.Findings reveal that higher CO_(2)concentrations during the initial stages of carbonation curing enhance early strength but may impede long-term strength development.Shotcrete samples exposed to 2vol%CO_(2)for 14 d exhibited a carbonation degree approximately three times higher than those exposed to 0.03vol%CO_(2).A carbonation layer formed in the shotcrete,sequestering CO_(2)as solid carbonates.In practical terms,shotcrete in an underground return-air tunnel absorbed 1.1 kg·m^(2)of CO_(2)over 14 d,equivalent to treating 33 m^(3)of contaminated air.Thus,using shotcrete for CO_(2)curing in return-air tunnels can significantly reduce carbon emissions,contributing to greener and more sustainable mining practices.展开更多
As the second most important solid waste produced by coal-fired power plants,the improper management of coal-fired slag has the potential to result in environmental pollution.It is therefore imperative that high-value...As the second most important solid waste produced by coal-fired power plants,the improper management of coal-fired slag has the potential to result in environmental pollution.It is therefore imperative that high-value utilization pathways for coal-fired slag should be developed.In this study,modified magnesium slag(MMS),produced by a magnesium smelter,was selected as the alkali activator.The activated silica-aluminum solid wastes,namely coal-fired slag(CFS)and mineral powder(MP),were employed as pozzolanic materials in the preparation of alkali-activated cementitious materials.The alkali-activated cementitious materials prepared with 50 wt%MMS,40 wt%CFS and 10 wt%MP exhibited favorable mechanical properties,with a compressive strength of 32.804 MPa in the paste sample cured for 28 d.Then,the activated silica-aluminum solid waste consisting of CFS-MP generated a significant amount of C-S(A)-H gels,AFt,and other products,which were observed to occupy the pore structure of the specimen.In addition,the secondary hydration reaction of CFS-MP occurs in high alkalinity environments,resulting in the formation of a mutually stimulated and promoted reaction system between CFS-MP and MMS,this will subsequently accelerate the hydrolysis reaction of MMS.It is important to emphasize that the amount of MMS in alkali-activated cementitious materials must be strictly regulated to avert the potential issue of incomplete depolymerization-repolymerization of active silica-aluminum solid waste containing CFS-MP.This in turn could have a deleterious impact on the late strength of the cementitious materials.The aim of this work is to improve the joint disposal of MMS,CFS and MP and thereby provide a scientific basis for the development of environmentally friendly and low-carbon modified magnesium slag alkali-activated coal-fired slag based cementitious materials for mine backfilling.展开更多
This study takes shale samples from the Jiaoshiba block in the Fuling shale gas field of the Sichuan Basin,and uses the true triaxial testing system to conduct a series of mechanical experiments under deep shale reser...This study takes shale samples from the Jiaoshiba block in the Fuling shale gas field of the Sichuan Basin,and uses the true triaxial testing system to conduct a series of mechanical experiments under deep shale reservoir conditions after shale hydration.Stress-strain data and mechanical parameters of shale after hydration under high temperature and high pressure were obtained to investigate the effects of reservoir temperature,hydration time and horizontal stress difference on the mechanical strength of shale after hydration.By using nonlinear regression and interpolation methods,a prediction model for the mechanical strength of shale after hydration was constructed,and the mechanical strength chart of deep shale under high stress difference was plotted.First,higher hydration temperature,longer hydration reaction time,and greater horizontal stress difference cause shale to enter the yield stage earlier during the compression process after hydration and to exhibit more prominent plastic characteristics,lower peak strength,peak strain,residual strength and elastic modulus,and higher Poisson's ratio.Second,the longer the hydration time,the smaller the impact of hydration temperature on the mechanical strength of deep shale is.As the horizontal stress difference increases,the peak strength and residual strength weaken intensely,and the peak strain,elastic modulus and Poisson's ratio deteriorate slowly.Third,the mechanical strength of shale decreases significantly in the first 5 days of hydration,but gradually stabilizes as the hydration time increases.Fourth,the visual mechanical strength chart helps to understand the post-fracturing dynamics in deep shale gas reservoir fracturing site and adjust the drainage and production plan in time.展开更多
Low-heat Portland(LHP)cement is a new type of Portland cement that has been widely used in recent years due to its low heat of hydration,which makes it exceptional in temperature control for mass concrete construction...Low-heat Portland(LHP)cement is a new type of Portland cement that has been widely used in recent years due to its low heat of hydration,which makes it exceptional in temperature control for mass concrete construction.However,limited studies have investigated the impact of temperature and magnesium oxide(MgO)content on LHP cement-based materials.This study utilizes thermodynamic simulations to study the hydration process,pore structure,and autogenous shrinkage of LHP cement pastes with different water-to-cement ratios(0.3,0.4,and 0.5),curing temperatures(5,15,20,and 30℃),and MgO contents(mass fractions of 2%,4%,and 5%).Higher curing temperature is found to promote the hydration reactions in cement paste.Moreover,the incorporation of 4%MgO moderately decreases both porosity and dimensional shrinkage in pastes.The microstructural evolution of different LHP pastes is examined through a comparative analysis,lending insights into LHP cement-based material applications.展开更多
Ferrite-rich calcium sulfoaluminate(FCSA)cement is often used in special projects such as marine engineering due to its excellent resistance of seawater attack although the cost is a little high.Ground granulated blas...Ferrite-rich calcium sulfoaluminate(FCSA)cement is often used in special projects such as marine engineering due to its excellent resistance of seawater attack although the cost is a little high.Ground granulated blast furnace slag(GGBS),a byproduct of industrial production,is used as a mineral admixture to reduce concrete costs and provide excellent performance.This study aimed to investigate the impact of GGBS on the hydration properties of FCSA cement in seawater.Tests were conducted on heat of hydration,compressive strength,mass change,and pH value of pore solution of FCSA cement paste with a water-to-binder ratio of 0.45.X-ray diffraction(XRD)analysis and thermogravimetric analysis were used to determine the hydration products,while mercury intrusion porosimetry(MIP)was used to measure pore structure.The results indicated that the FCSA cement hydration showed a concentrated heat release at early age.The compressive strength of specimens consistently increased over time,where seawater curing enhanced the compressive strength of control samples.The pH value of pore solution decreased to 10.7−10.9 at 90 d when cured in seawater.The primary hydration products of FCSA cement included ettringite,iron hydroxide gel(FH_(3)),and aluminum hydroxide gel(AH_(3)).Moreover,when cured in seawater,Friedel’s salt was formed,which enhanced the compressive strength of the specimen and increased its coefficient of corrosion.Seawater curing gradually increased sample mass,and GGBS refined pore structure while reducing harmful pore proportions.These results suggest that while GGBS can refine pore structure and improve certain aspects of performance,its inclusion may also reduce compressive strength,highlighting the need for a balanced approach in its use for marine applications.展开更多
Mgo-Cao refractories are widely used in the iron and steel metalurgy industry due to their advantages of purifying molten steel,high refractoriness,good thermal shock resistance,and excellent corrosion resistance to b...Mgo-Cao refractories are widely used in the iron and steel metalurgy industry due to their advantages of purifying molten steel,high refractoriness,good thermal shock resistance,and excellent corrosion resistance to basic slags.However,hydration occurs during the manufacturing,storage,and transportation of refractories,which severely limits their application.Mgo-CaO clinker is the main raw material for Mgo-Cao refractories,and its hydration resistance determines the development of the latter case.Herein,the Mgo-Cao clinker was modified using myristic acid as the modifying agent by the liquid-phase deposition method.The effects of the particle size of the raw materials,concentration of myristic acid,treatment temperature and time on the phase composition and hydration resistance of the modified Mgo-Cao clinkers were investigated in detail.The results show that the samples with an agent concentration of 0.25 mol L^(-1) and treated at 25℃ for 1 h exhibit the optimal hydration resistance properties,namely a low hydration mass gain rate(0.23%)and a large water contact angle(152.9).展开更多
Hydrated ions play essential roles in diverse chemical and biological processes,yet accurately characterizing their hydration structures remains challenging due to the delicate interplay of ion–water and water–water...Hydrated ions play essential roles in diverse chemical and biological processes,yet accurately characterizing their hydration structures remains challenging due to the delicate interplay of ion–water and water–water interactions.Here,we use ab initio molecular dynamics(AIMD)simulations based on the strongly constrained and appropriately normed(SCAN)exchange–correlation functional to systematically investigate the hydration structures of eight representative ions(Mg^(2+),Ca^(2+),Li^(+),Na^(+),K^(+),F^(-),Cl^(-),Br^(-))in aqueous solution.Compared to the widely used Perdew–Burke–Ernzerhof(PBE)functional,SCAN substantially improves the description of solvent water by weakening the hydrogen-bond network and enhancing structural disorder,yielding results in closer agreement with experiments.SCAN modifies ionic hydration shells in an ion-specific manner,governed by ionic size and charge,and reproduces experimental hydration geometries especially well for intermediate-size monovalent ions(Na^(+),Cl^(-)).Moreover,SCAN consistently reduces the overpolarization of water molecules near ions.These improvements lead to more accurate and physically consistent hydration structures,highlighting SCAN's utility for modeling complex aqueous systems and offering guidance for future studies of ionic solvation.展开更多
Against the backdrop of intensifying global water scarcity,reclaimed water reuse has emerged as a critical strategy for ecological replenishment of landscape water bodies.However,its potential ecological risks remain ...Against the backdrop of intensifying global water scarcity,reclaimed water reuse has emerged as a critical strategy for ecological replenishment of landscape water bodies.However,its potential ecological risks remain underexplored.This study aims to establish a multidimensional ecological safety evaluation framework for reclaimed water replenishment systems and propose hierarchical risk prevention strategies.By integrating ecotoxicological assays(algae growth inhibition,Daphnia behavioral anomalies,zebrafish embryo toxicity),multimedia exposure modeling,and Monte Carlo probabilistic simulations,the risk contributions and spatial heterogeneity of typical pollutants are quantitatively analyzed.Results revealed that sulfamethoxazole(RQ=2.3)and diclofenac(RQ=1.8)posed high ecological risks,with their effects nonlinearly correlated with hydraulic retention time(HRT<3 days)and nutrient loading(TN>1.2 mg/L).A three-tier risk prevention system was developed based on the“source-pathway-receptor”framework:ozone-activated carbon pretreatment achieved 85%removal efficiency for pharmaceutical contaminants,ecological floating beds enhanced nitrogen and phosphorus retention by 40%-60%,and hydraulic regulation(flow velocity>0.1 m/s)effectively suppressed pathogen proliferation.The innovation of this study lies in establishing a chemical-biological-hydrological coupled risk quantification model for reclaimed water reuse scenarios.The hierarchical prevention standards have been incorporated into local reclaimed water management regulations,providing a scientific foundation and technical paradigm for sustainable landscape water replenishment.展开更多
基金Funded by the Guangxi Key Research and Development Program(Nos.GK AB24010020,and GK AB23026071)the Key Project of Guangxi Natural Science Foundation(No.2025GXNSFDA090046)the Guangxi Science and Technology Base and Talent Special Project(No.GK AD24010062)。
文摘To address the inefficient utilization of electrolytic manganese residue(EMR)caused by its high inert content,this study developed a multifunctional solid waste cementitious material by replacing 50-60%of ordinary Portland cement(PO 42.5)with wet-ground electrolytic manganese residue(WEMR),wetground granulated blast-furnace slag(WGBFS),and carbide slag(CS).The mechanical properties,hydration characteristics,microstructure,and carbon emissions of the material were systematically investigated with varying WEMR dosages.The experimental results demonstrates that the wet-grinding process significantly refines the particle size and enhances the reactivity of both EMR and GBFS.As the WEMR dosage increases,the 28-day compressive strength initially rise and then declines.Optimal mechanical performance was achieved with 24%WEMR and 6%CS,yielding a 28-day compressive strength of 48.2 MPa.Advanced analytical techniques,including XRD,TG-DTG,SEM,and MIP,were employed to examine the hydration products.The findings reveal that the wet-grinding-alkali-sulfur synergistic activation system in the multi-solid waste cementitious material effectively utilize EMR to generate abundant hydration products such as AFt and C-(A)-S-H.Additionally,the fine particles of WEMR fill the pores in the mortar,further enhancing compressive strength.The cost and carbon emissions of this multifunctional system are only 65.97%and 46.9% of those of PO 42.5,respectively.This study provides a feasible approach for the efficient utilization of EMR,contributing to sustainable construction practices.
基金supported by Iran National Science Foundation(INSF)under project No.4022382Facilities were provided by the Condensed Matter National Laboratory at the Institute for Research in Fundamental Sciences(IPM)in Tehran,Iran.Additionally,financial support for equipment purchase was granted by the INSF under project number 4022382.
文摘The rational design of high-performance electrochemical energy storage devices critically depends on a fundamental understanding of ion-electrode interactions at the molecular scale.Herein,we employ interpretable machine learning(ML)to reveal electrolyte hydration energy as a universal descriptor governing ion-specific capacitance in two-dimensional(2D)materials.Through explainable ML,we elucidate how ion hydration shell stability and size critically influence charge transport and storage at the electrode-electrolyte interface.Our analysis identifies hydration energy-not ionic size-as the primary factor dictating capacitance,challenging prevailing assumptions and providing quantifiable design rules for electrolyte selection.These insights offer a data-driven pathway to optimize 2D materials for supercapacitors and beyond,including batteries and electrocatalytic systems.This work demonstrates the power of explainable artificial intelligence in uncovering molecular-level mechanisms that accelerate the discovery and development of next-generation energy storage technologies.
基金Funded by Hainan Provincial Natural Science Foundation(No.522QN279)State Key Laboratory of High Performance Civil Engineering Materials(No.2023CEM004)。
文摘A green pregelatinized glutinous rice flour biological admixture was developed in this paper.The cement hydration process,hydration products,pore structure,and strength of mortar with different quantities of glutinous rice flour(GRF),and the macroscopic changes in concrete cracking resistance testing were investigated.Simultaneously,a fast cracking resistance evaluation method based on graphic recognition was proposed.The results indicated that pregelatinized glutinous rice flour(T-GRF)delayed the dissolution rate of anhydrous cement during the induction period,shifting the main exothermic peak of hydration backward.The compressive strength developed slowly in 7-28 d age and returned to normal in 28-56 d.The compressive strength of T-GRF-0.6% modified mortar at 56 d age is less than 10% different from that of control group.The 3.0%T-GRF decreased the total porosity by 3%,and the average pore size decreased from 31.2 to 21.3 nm measured by MIP,indicating that T-GRF could inhibit harmful pores and densify concrete.The crack resistance coefficient of T-GRF modified concrete was obtained by image recognition method,and the GRF could decrease the length,width,and damaged area of cracks in the early age of concrete.
基金Funded by the Sichuan Province Science and Technology Support Program(No.2025YFNZH0022)the Chengdu Municipal Science and Technology Program(No.2025-YF11-00003-HZ)。
文摘Curing temperature significantly affects the pozzolanic reaction kinetics of phosphorous slag(PS),thereby governing the early-age(7 d)hydration behavior of PS composite binders at 20,30,and 60℃.The Krstulovic-Dabic kinetic model was applied to identify three characteristic processes:nucleation and growth(NG),phase boundary interaction(I),and diffusion(D).Control mixtures containing inert quartz powder with comparable particle size distributions were prepared for comparison.Pore characteristics of hardened PS pastes at different temperatures were analyzed via mercury intrusion porosimetry,while hydration products were characterized using X-ray diffraction(XRD)and thermogravimetric analysis(TG-DTG).The experimental results indicate that the retarding effect of PS on early cement hydration outweighs its accelerating effect,attributed to the combined influence of nucleation and dilution,with retardation decreasing as temperature increases.PS exhibits early reactivity and continuously consumes calcium hydroxide through the pozzolanic reaction,as evidenced by stable phase assemblages accompanied by reduced CH content in XRD and TG-DTG analyses.At 20℃,increasing PS content maintains the NG→I→D mechanism but slows reaction rates across all stages.Elevated temperatures significantly accelerate the NG process,shifting the dominant mechanism from NG toward D.Simultaneously,enhanced PS reactivity contributes to a refined pore structure and improved compressive strength.
基金supported by the National Research Foundation of Korea(NRF)funded by the Korean government(MSIT)(No.2022R1A2C1006743).
文摘This study presents a novel approach to improving the anticorrosive performance of AZ31 Mg alloy by exploiting the role of the hydration reaction to induce interactions between Quinolin-8-ol(8HQ)molecules and the porous MgO layer formed via plasma electrolytic oxidation(PEO).The AZ31 Mg alloy,initially coated with a PEO layer,underwent a dipping treatment in an ethanolic solution of 0.05 M 8HQ at 50℃ for 3 h.The results were compared with those from a different procedure where the PEO layer was subjected to a hydration reaction for 2 h at 90℃ before immersion in the 8HQ solution under the same conditions.The hydration treatment played a crucial role by converting MgO to Mg(OH)_(2),significantly enhancing the surface reactivity.This transformation introduced hydroxyl groups(−OH)on the surface,which facilitated donor-acceptor interactions with the electron-accepting sites on 8HQ molecules.The calculated binding energy(Ebinding)from DFT indicated that the interaction energy of 8HQ with Mg(OH)_(2) was lower compared to 8HQ with MgO,suggesting easier adsorption of 8HQ molecules on the hydrated surface.This,combined with the increased number of active sites and enhanced surface area,allowed for extensive surface coverage by 8HQ,leading to the formation of a stable,flake-like protective layer that sealed the majority of pores on the PEO layer.DFT calculations further suggested that the hydration treatment provided multiple active sites,enabling effective contact with 8HQ and rapid electron transfer,creating ideal conditions for charge-transfer-induced physical and chemical bonding.This study shows that hydration and 8HQ treatments significantly enhance the corrosion resistance of Mg alloys,highlighting their potential for advanced anticorrosive coatings.
文摘In order to adjust some properties of cement grout or concrete,some mineral admixtures are usually added in the preparation.Admixtures can reduce the cement consumption and save the cost,and also adjust the workability of the material,improve the strength and durability of the cement stone,or reduce hydration heat of the composite cement.At present,the content of fly ash or slag is generally less than 50%among the composite cementitious materials that have been studied more,but there is little research on composite cementitious materials with large mineral admixture.In this paper,XRD,SEM,and adiabatic temperature rise tests were used to discuss hydration products and mechanism of composite cement grout with 90%content of fly ash and slag.The results show that the hydration of the composite cement grout is an alkali-activated hydration reaction,and the hydration products are mainly amorphous substances such as hydrated calcium silicate or hydrated calcium aluminate gel.The hydration reaction temperature rise is much lower than that of ordinary cement grout,and the time of the temperature peak is significantly delayed.
基金financial support by the National Natural Science Foundation of China(22378339)Collaborative Innovation Center of New Chemical Technologies for Environmental Benignity and Efficient Resource Utilization.
文摘In this work,several HZSM-5 catalysts with different Si/Al ratios treated with acids are selected as catalysts and used for hydration of cyclohexene to cyclohexanol.The results indicated that HZSM-5(Si/Al=38)modified with 4 mol·L^(-1) nitric acid was selected as an efficient catalyst for improving the hydration efficiency of cyclohexene.Furthermore,the microstructures and properties of fresh,used and regenerated acid-modified catalysts have been characterized by X-ray diffraction,scanning electron microscopy,nitrogen adsorption/desorption isotherm,Fourier transform infrared,thermal gravimetric analyzer,ammonia temperature programmed desorption and pyridine adsorbs Fourier transform infrared.The characterization results indicated that the total surface areas and pore volume of HZSM-5 zeolite increased after nitric acid treatment due to the formation of mesoporous structure.This benefits the diffusion rate of reactants and products,which improves the hydration efficiency and stability of the catalyst.Under the catalysis of HZSM-5,the conversion of cyclohexene was found to be 9.0%.However,treatment of HZSM-5 with nitric acid enhanced the conversion of cyclohexene to 12.2%,achieving a selectivity of 99.7%for cyclohexanol under optimal reaction conditions.This work affords a mild and efficient approach for improving the hydration efficiency and has potential industrial application value.
基金financially funded by the 14th Five Years Key Programs for Science and Technology Development of China(No.2021YFC2900400)the National Natural Science Foundation of China(Nos.52274151,552104156,52074351,and 22376221)+2 种基金the Science and Technology Innovation Program of Hunan Province,China(No.2021 RC3125)the Natural Science Foundation of Hunan Province,China(No.2024JJ2074)the Young Elite Scientists Sponsorship Program by CAST(No.2023QNRC 001)。
文摘Growing concerns about greenhouse gas emissions from underground mining have intensified the need for carbon reduction strategies at every stage.Shotcrete used in tunnel support presents a promising opportunity for carbon emission reduction.This study investigates the carbon absorption capacity,mechanical strength,and underlying mechanisms of shotcrete when exposed to varying CO_(2)concentrations during the mine support process.Findings reveal that higher CO_(2)concentrations during the initial stages of carbonation curing enhance early strength but may impede long-term strength development.Shotcrete samples exposed to 2vol%CO_(2)for 14 d exhibited a carbonation degree approximately three times higher than those exposed to 0.03vol%CO_(2).A carbonation layer formed in the shotcrete,sequestering CO_(2)as solid carbonates.In practical terms,shotcrete in an underground return-air tunnel absorbed 1.1 kg·m^(2)of CO_(2)over 14 d,equivalent to treating 33 m^(3)of contaminated air.Thus,using shotcrete for CO_(2)curing in return-air tunnels can significantly reduce carbon emissions,contributing to greener and more sustainable mining practices.
基金Projects(52222404,52074212)supported by the National Natural Science Foundation of ChinaProject(2023-LL-QY-07)supported by the Two-chain Integration Key Projects in Shaanxi Province,China。
文摘As the second most important solid waste produced by coal-fired power plants,the improper management of coal-fired slag has the potential to result in environmental pollution.It is therefore imperative that high-value utilization pathways for coal-fired slag should be developed.In this study,modified magnesium slag(MMS),produced by a magnesium smelter,was selected as the alkali activator.The activated silica-aluminum solid wastes,namely coal-fired slag(CFS)and mineral powder(MP),were employed as pozzolanic materials in the preparation of alkali-activated cementitious materials.The alkali-activated cementitious materials prepared with 50 wt%MMS,40 wt%CFS and 10 wt%MP exhibited favorable mechanical properties,with a compressive strength of 32.804 MPa in the paste sample cured for 28 d.Then,the activated silica-aluminum solid waste consisting of CFS-MP generated a significant amount of C-S(A)-H gels,AFt,and other products,which were observed to occupy the pore structure of the specimen.In addition,the secondary hydration reaction of CFS-MP occurs in high alkalinity environments,resulting in the formation of a mutually stimulated and promoted reaction system between CFS-MP and MMS,this will subsequently accelerate the hydrolysis reaction of MMS.It is important to emphasize that the amount of MMS in alkali-activated cementitious materials must be strictly regulated to avert the potential issue of incomplete depolymerization-repolymerization of active silica-aluminum solid waste containing CFS-MP.This in turn could have a deleterious impact on the late strength of the cementitious materials.The aim of this work is to improve the joint disposal of MMS,CFS and MP and thereby provide a scientific basis for the development of environmentally friendly and low-carbon modified magnesium slag alkali-activated coal-fired slag based cementitious materials for mine backfilling.
基金Supported by the National Natural Science Foundation of China(U24A2084,U21B2071)Science and Technology Cooperation Project of CNPC-Southwest Petroleum University Innovation Consortium(2020CX030201)。
文摘This study takes shale samples from the Jiaoshiba block in the Fuling shale gas field of the Sichuan Basin,and uses the true triaxial testing system to conduct a series of mechanical experiments under deep shale reservoir conditions after shale hydration.Stress-strain data and mechanical parameters of shale after hydration under high temperature and high pressure were obtained to investigate the effects of reservoir temperature,hydration time and horizontal stress difference on the mechanical strength of shale after hydration.By using nonlinear regression and interpolation methods,a prediction model for the mechanical strength of shale after hydration was constructed,and the mechanical strength chart of deep shale under high stress difference was plotted.First,higher hydration temperature,longer hydration reaction time,and greater horizontal stress difference cause shale to enter the yield stage earlier during the compression process after hydration and to exhibit more prominent plastic characteristics,lower peak strength,peak strain,residual strength and elastic modulus,and higher Poisson's ratio.Second,the longer the hydration time,the smaller the impact of hydration temperature on the mechanical strength of deep shale is.As the horizontal stress difference increases,the peak strength and residual strength weaken intensely,and the peak strain,elastic modulus and Poisson's ratio deteriorate slowly.Third,the mechanical strength of shale decreases significantly in the first 5 days of hydration,but gradually stabilizes as the hydration time increases.Fourth,the visual mechanical strength chart helps to understand the post-fracturing dynamics in deep shale gas reservoir fracturing site and adjust the drainage and production plan in time.
基金supported by the National Natural Science Foundation of China(Nos.51602229 and U2040222)the Opening Project of Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education(Tongji University)+1 种基金the Joint Fund Project of Hubei Provincial Natural Science Foundation(No.2023AFD196)the Opening Funding of Henan Key Laboratory of Green Building Materials Manufacturing and Intelligent Equipment(No.2024LGSYS02),China.
文摘Low-heat Portland(LHP)cement is a new type of Portland cement that has been widely used in recent years due to its low heat of hydration,which makes it exceptional in temperature control for mass concrete construction.However,limited studies have investigated the impact of temperature and magnesium oxide(MgO)content on LHP cement-based materials.This study utilizes thermodynamic simulations to study the hydration process,pore structure,and autogenous shrinkage of LHP cement pastes with different water-to-cement ratios(0.3,0.4,and 0.5),curing temperatures(5,15,20,and 30℃),and MgO contents(mass fractions of 2%,4%,and 5%).Higher curing temperature is found to promote the hydration reactions in cement paste.Moreover,the incorporation of 4%MgO moderately decreases both porosity and dimensional shrinkage in pastes.The microstructural evolution of different LHP pastes is examined through a comparative analysis,lending insights into LHP cement-based material applications.
基金Project(2023DJC182)supported by the Department of Science and Technology of Hubei Province,ChinaProjects(51608402,51602229)supported by the National Natural Science Foundation of ChinaProject(2021-2075-38)supported by the Department of Housing and Urban-Rural Development of Hubei Province,China。
文摘Ferrite-rich calcium sulfoaluminate(FCSA)cement is often used in special projects such as marine engineering due to its excellent resistance of seawater attack although the cost is a little high.Ground granulated blast furnace slag(GGBS),a byproduct of industrial production,is used as a mineral admixture to reduce concrete costs and provide excellent performance.This study aimed to investigate the impact of GGBS on the hydration properties of FCSA cement in seawater.Tests were conducted on heat of hydration,compressive strength,mass change,and pH value of pore solution of FCSA cement paste with a water-to-binder ratio of 0.45.X-ray diffraction(XRD)analysis and thermogravimetric analysis were used to determine the hydration products,while mercury intrusion porosimetry(MIP)was used to measure pore structure.The results indicated that the FCSA cement hydration showed a concentrated heat release at early age.The compressive strength of specimens consistently increased over time,where seawater curing enhanced the compressive strength of control samples.The pH value of pore solution decreased to 10.7−10.9 at 90 d when cured in seawater.The primary hydration products of FCSA cement included ettringite,iron hydroxide gel(FH_(3)),and aluminum hydroxide gel(AH_(3)).Moreover,when cured in seawater,Friedel’s salt was formed,which enhanced the compressive strength of the specimen and increased its coefficient of corrosion.Seawater curing gradually increased sample mass,and GGBS refined pore structure while reducing harmful pore proportions.These results suggest that while GGBS can refine pore structure and improve certain aspects of performance,its inclusion may also reduce compressive strength,highlighting the need for a balanced approach in its use for marine applications.
基金National Natural Science Foundation of China(Grants 52202025 and U23A20559)Natural Science Foundation of Hubei Province(Grant 2022CFB629)+1 种基金"The 14^(th)Five-Year Plan"Hubei Provincial Advantaged Characteristic Disciplines(Groups)Project of Wuhan University of Science and Technology(2023A0307).
文摘Mgo-Cao refractories are widely used in the iron and steel metalurgy industry due to their advantages of purifying molten steel,high refractoriness,good thermal shock resistance,and excellent corrosion resistance to basic slags.However,hydration occurs during the manufacturing,storage,and transportation of refractories,which severely limits their application.Mgo-CaO clinker is the main raw material for Mgo-Cao refractories,and its hydration resistance determines the development of the latter case.Herein,the Mgo-Cao clinker was modified using myristic acid as the modifying agent by the liquid-phase deposition method.The effects of the particle size of the raw materials,concentration of myristic acid,treatment temperature and time on the phase composition and hydration resistance of the modified Mgo-Cao clinkers were investigated in detail.The results show that the samples with an agent concentration of 0.25 mol L^(-1) and treated at 25℃ for 1 h exhibit the optimal hydration resistance properties,namely a low hydration mass gain rate(0.23%)and a large water contact angle(152.9).
基金supported by the National Natural Science Foundation of China(Grant Nos.12535001,11935002,and 11525520)the National Key Research and Development Program of China(Grant No.2021YFA1400500)。
文摘Hydrated ions play essential roles in diverse chemical and biological processes,yet accurately characterizing their hydration structures remains challenging due to the delicate interplay of ion–water and water–water interactions.Here,we use ab initio molecular dynamics(AIMD)simulations based on the strongly constrained and appropriately normed(SCAN)exchange–correlation functional to systematically investigate the hydration structures of eight representative ions(Mg^(2+),Ca^(2+),Li^(+),Na^(+),K^(+),F^(-),Cl^(-),Br^(-))in aqueous solution.Compared to the widely used Perdew–Burke–Ernzerhof(PBE)functional,SCAN substantially improves the description of solvent water by weakening the hydrogen-bond network and enhancing structural disorder,yielding results in closer agreement with experiments.SCAN modifies ionic hydration shells in an ion-specific manner,governed by ionic size and charge,and reproduces experimental hydration geometries especially well for intermediate-size monovalent ions(Na^(+),Cl^(-)).Moreover,SCAN consistently reduces the overpolarization of water molecules near ions.These improvements lead to more accurate and physically consistent hydration structures,highlighting SCAN's utility for modeling complex aqueous systems and offering guidance for future studies of ionic solvation.
文摘Against the backdrop of intensifying global water scarcity,reclaimed water reuse has emerged as a critical strategy for ecological replenishment of landscape water bodies.However,its potential ecological risks remain underexplored.This study aims to establish a multidimensional ecological safety evaluation framework for reclaimed water replenishment systems and propose hierarchical risk prevention strategies.By integrating ecotoxicological assays(algae growth inhibition,Daphnia behavioral anomalies,zebrafish embryo toxicity),multimedia exposure modeling,and Monte Carlo probabilistic simulations,the risk contributions and spatial heterogeneity of typical pollutants are quantitatively analyzed.Results revealed that sulfamethoxazole(RQ=2.3)and diclofenac(RQ=1.8)posed high ecological risks,with their effects nonlinearly correlated with hydraulic retention time(HRT<3 days)and nutrient loading(TN>1.2 mg/L).A three-tier risk prevention system was developed based on the“source-pathway-receptor”framework:ozone-activated carbon pretreatment achieved 85%removal efficiency for pharmaceutical contaminants,ecological floating beds enhanced nitrogen and phosphorus retention by 40%-60%,and hydraulic regulation(flow velocity>0.1 m/s)effectively suppressed pathogen proliferation.The innovation of this study lies in establishing a chemical-biological-hydrological coupled risk quantification model for reclaimed water reuse scenarios.The hierarchical prevention standards have been incorporated into local reclaimed water management regulations,providing a scientific foundation and technical paradigm for sustainable landscape water replenishment.
