Injecting impure CO_(2)for enhanced gas recovery(CO_(2)-EGR)offers a dual benefit by improving natural gas extraction while enabling CO_(2)sequestration.However,the interactions between CO_(2),N_(2),and CH_(4)under re...Injecting impure CO_(2)for enhanced gas recovery(CO_(2)-EGR)offers a dual benefit by improving natural gas extraction while enabling CO_(2)sequestration.However,the interactions between CO_(2),N_(2),and CH_(4)under reservoir conditions require further investigation.This study employs Grand Canonical Monte Carlo(GCMC)and Molecular Dynamics(MD)simulations to quantify the adsorption and diffusion behaviors of CO_(2),N_(2),and CH_(4)in quartz nanopores over a pressure range of 1-24 MPa under varying water saturations and gas compositions.The results indicate that:(1)CO_(2)exhibits the broadest energy distribution and the strongest adsorption stability,occupying about 20%-30%more adsorption sites than CH_(4)or N_(2)and showing the least sensitivity to water saturation,with only a 30%reduction at 50%saturation,compared to 60%for CH_(4),giving CO_(2)a clear competitive advantage.(2)The adsorption and desorption behaviors are strongly pressure dependent,as increasing pressure reduces the adsorption layer area and shifts gas distribution from adsorption dominated to free phase.Competitive adsorption analysis reveals that while CO_(2)dominates displacement at low pressures,mixtures that contain N_(2)achieve higher CH_(4)desorption efficiency above 13 MPa by mitigating diffusion resistance.(3)A higher N_(2)fraction improves CH_(4)diffusion coefficients,thereby facilitating gas mobility and ensuring superior recovery performance under high-pressure conditions.This study advances the fundamental knowledge of microscale gas behavior in tight sandstones and supports the feasibility of impure CO_(2)injection as a practical strategy for sustainable gas production.展开更多
An in-depth understanding of the competition mechanism between olefins and different types of sulfides in gasoline is essential to improve the desulfurization selectivity of the adsorption desulfurization process(ADS)...An in-depth understanding of the competition mechanism between olefins and different types of sulfides in gasoline is essential to improve the desulfurization selectivity of the adsorption desulfurization process(ADS).In this study,the competitive adsorption and diffusion mechanism of two systems,diethyl sulfide/cyclohexene and n-butyl mercaptan/cyclohexene,with different adsorption amounts in siliceous faujasite zeolite(FAU) were investigated by Monte Carlo(MC) and molecular dynamics(MD).The systems exhibited a two-stage loading-dependent competitive adsorption and diffusion mechanism,with an inflection point of 32 molecule/UC(moleculers per microcoulomb).Before the inflection point(4-32molecule/UC),the competition mechanism of the two systems was the "optimal-displacement" mechanism.After the inflection point,the mechanism of the diethyl sulfide/cyclohexene changed to "relocation-displacement",while that of the n-butyl mercaptan/cyclohexene system changed to "dominantdisplacement".Compared to ether functional groups,the alcohol functional group has higher polarity and stronger adsorption stability,thus occupying more favorable adsorption sites within the supercages(SCs),while ethyl sulfide shifts outward to other sites within other SCs.In addition,the diffusion performance of adsorbent is related to the adsorption energy.The lower the adsorption energy,the weaker the diffusion ability.Meanwhile,the diffusion performance of adsorbates is better at high temperatures and low adsorption capacity.The effect of temperatu re on the desulfu rization selectivity was determined.A lower temperature is favorable for the adsorption capacity of the two systems and the removal selectivity of sulfides.This study provides fundamental insights into the competitive adsorption and diffusion mechanisms among sulfides,mercaptans and olefins,offering theoretical guidance for adsorbent design and reaction temperature optimization.展开更多
Co_(3)O_(4) is a promising catalyst for the chlorine evolution reaction(CER)in seawater;however,its CER selectivity is compromised by the adsorption of the competitive oxygen evolution reaction intermediate(OH^(-))at ...Co_(3)O_(4) is a promising catalyst for the chlorine evolution reaction(CER)in seawater;however,its CER selectivity is compromised by the adsorption of the competitive oxygen evolution reaction intermediate(OH^(-))at Co sites.Inspired by the hard-soft acid-base(HSAB)theory,this study proposes incorporating early transition metal sites(V)with a low degree of electron delocalization into Co_(3)O_(4) to modulate the selective adsorption of reactants on catalytic sites.Experimental and theoretical calculations reveal that V incorporation facilitates the electron accumulation at the Co site,significantly strengthening the interaction between Co and Cl^(-).Meanwhile,the loss of electrons from V sites generates a more localized electronic state that preferentially adsorbs OH^(-),thus reducing the Co-OH interaction and releasing more Co sites for Cl^(-)adsorption.Therefore,Co_(2)VO_(4) exhibits a high CER selectivity of 92.3%and maintains one of the highest stabilities over 300 h in natural seawater.The resulting half-flow cell achieves~100%disinfection efficiency in seawater,validating the HSAB theory-based design strategy and offering new guidance for developing highly selective seawater CER catalysts.展开更多
The adsorption amount, ξ-potential of cement particles and fluidity of cement paste were tested to research the competitive adsorption between naphthalene superplasticizer （FDN） and STPP. The experimental results s...The adsorption amount, ξ-potential of cement particles and fluidity of cement paste were tested to research the competitive adsorption between naphthalene superplasticizer （FDN） and STPP. The experimental results showed that the presence of STPP could significantly improve the fluidity of cement paste and reduce the fluidity loss with FDN. There existed a competitive adsorption between STPP and FDN. STPP and calcium ions formed complexes; they preferentially adsorbed onto surface of cement particles and preempt adsorption points of FDN; and it reduced adsorption amount of FDN. In the absence of STPP, saturation adsorption amount of FDN was 5.93 mg/g; but when the dosage of STPP was 0.1%, it reduced to 4.3 mg/g （about 72.5%）. The adsorption amount of FDN was reduced by STPP, but ξ-potential of cement particles enhanced and fluidity of cement paste increased because of strong negative charge effect of the complexes. Adsorption of the complexes would delay Ca^2＋ into liquid and inhibit formation of active adsorption points. Then, content of FDN in liquid increased with the addition of STPP and ξ-potential of cement particles became stable. In this way, fluidity loss of cement paste reduced.展开更多
An aminated hypercrosslinked macroporous polymeric adsorbent was synthesized and characterized. Adsorption isotherms for 1 amino 2 naphthol 4 sulfonic acid(1, 2, 4 acid) and 2 naphthol obtained from various bin...An aminated hypercrosslinked macroporous polymeric adsorbent was synthesized and characterized. Adsorption isotherms for 1 amino 2 naphthol 4 sulfonic acid(1, 2, 4 acid) and 2 naphthol obtained from various binary adsorption environments can be well fitted by Freundlich equation, which indicated a favorable adsorption process in the studied range. Adsorption for 1, 2, 4 acid was an endothermic process in comparison with that for 2 naphthol of an exothermic process. 2 naphthol molecules put a little influence on the adsorption capacity for 1, 2, 4 acid. However, the adsorption to 1, 2, 4 acid depressed that to 2 naphthol in a large extent for the stronger electrostatic interaction between 1, 2, 4 acid and adsorbent. The predominant mechanism can be contributed to the competition for adsorption sites. And the simultaneous environment was confirmed to be helpful to the selective adsorption towards 1,2,4 acid based on the larger selectivity index.展开更多
Converting peanut shells into biochar by pyrolysis was considered an environmentally friendly and efficient method for agricultural solid waste disposal.The properties of peanut shell-derived biochar(PBC)under differe...Converting peanut shells into biochar by pyrolysis was considered an environmentally friendly and efficient method for agricultural solid waste disposal.The properties of peanut shell-derived biochar(PBC)under different temperature and its adsorption capacity of heavy metals were investigated.It was found that PBC400 exhibited the highest cumulative capability for heavy metals elimination in single solute because of its high specific surface area and rich functional groups.Furthermore,the competitive adsorption revealed that PBC had a substantial difference in adsorption affinity from diverse heavy metal ions,sorption capacity decreased as Pb2+>Cu2+>Cd2+>Ni2+>Zn2+,which was lower than in a single solute.The adsorption process using selected biochar was optimized with respect to p H,reaction time,adsorbent dose,and initial concentration of heavy metals.The kinetic data was well fitted with PSO model,and the Langmuir model was adopted for adsorption equilibrium data in both cases of single solutes and mixed solutes for all heavy metals,which indicated that the removal course was primarily explained by monolayer adsorption,and chemical adsorption occupied an important role.Therefore,peanut shells derived biochar could be a potential and green adsorbent for wastewater treatment.展开更多
The equivalence between multilayered barriers regarding diffusion and adsorption was studied.The bottom boundary of the liner system is defined by assuming concentration continuous and flux continuous conditions of th...The equivalence between multilayered barriers regarding diffusion and adsorption was studied.The bottom boundary of the liner system is defined by assuming concentration continuous and flux continuous conditions of the contaminant between the bottom liner layer and the underlying soil.Five different liner systems were compared in terms of solute breakthrough time.The results of the analysis showed that breakthrough time of the hydrophobic organic compounds for a 2-meter-thick compacted clay liner(CCL)could be 3-4 orders of magnitude is greater than the breakthrough time for a geosynthetic clay liner(GCL)composite liner.The GM/GCL and GM/CCL composite liner systems provide a better diffusion barrier for the hydrophilic organic compounds than that for the hydrophobic compounds due to their different Henry's coefficient.The calculated breakthrough times of the organic contaminants for the Chinese standard liner systems were found to be generally greater than those for the GCL alternatives,for the specific conditions examined.If the distribution coefficient increases to 2.8 for the hydrophobic compounds or 1.0 for the hydrophilic compounds,the thickness of the attenuation layer needed to achieve the same breakthrough time as the standard liner systems can be reduced by a factor of about 1.9-2.4.As far as diffusive and adsorption contaminant transport are concerned,GM or GCL is less effective than CCL.展开更多
In this work, the adsorption and diffusion behavior of nitrate ions into polycationic P（DMAEMA/HEMA） hydrogels is analyzed. Experimental results indicated that nitrate ions can be removed efficiently from aqueous so...In this work, the adsorption and diffusion behavior of nitrate ions into polycationic P（DMAEMA/HEMA） hydrogels is analyzed. Experimental results indicated that nitrate ions can be removed efficiently from aqueous solutions. Adsorption isotherm of gels was well according to the Langmuir and Langmuir-Freundlich models. At the same time, the diffusion behavior of nitrate ions from P（DMAEMA/HEMA） hydrogels was investigated. The diffusion coefficients are strongly influenced by the changes of temperature and pH value of solutions. At the same time, D does not depend on the gels cross-linking ratio and initial solute concentration.展开更多
Para-xylene was chosen as the probe molecule to study adsorption thermodynamics and diffusion kinetics on NaY zeolite and composite structured NaY zeolite synthesized by in-situ crystallization from kaolin microsphere...Para-xylene was chosen as the probe molecule to study adsorption thermodynamics and diffusion kinetics on NaY zeolite and composite structured NaY zeolite synthesized by in-situ crystallization from kaolin microsphere(designated as Na Y/kaolin composites) separately, using a high precision intelligent gravimetric analyzer(IGA). The adsorption isotherms showed normal Langmuir type-Ⅰ behaviors. The increased adsorption heat with an increasing p-xylene coverage supported a mechanism of phase transition, diffusion and re-arrangement of p-xylene molecules during the adsorption process. The rearrangement seemed to be most pronounced at an adsorption loading of 2.13 and 2.29 mmol/g for Na Y zeolite and Na Y/kaolin composites respectively. Compared with Na Y zeolite, a 2—3 times higher in the diffusion coefficient of p-xylene was observed on Na Y/kaolin composites when the pressure was more than 50 Pa. Temperature-programmed desorption(TPD) of p-xylene on two samples from room temperature to 450 ℃ at a special loading has also been investigated by IGA. Results showed only single desorption peak appeared for Na Y zeolite, indicating that adsorption can only occur in the super-cage structure. Comparably, there were two different peaks for in-situ synthesized Na Y zeolite, corresponding to the two thermo desorption processes in both super-cage structure and the channels provided by kaolin, respectively.Key words:展开更多
The diffusion and adsorption behaviors of benzene and propylene in zeolites MFI, MWW and BEA have been studied by molecular dynamics（MD） and grand canonical Monte Carlo（GCMC） simulations. The diffusion coefficient...The diffusion and adsorption behaviors of benzene and propylene in zeolites MFI, MWW and BEA have been studied by molecular dynamics（MD） and grand canonical Monte Carlo（GCMC） simulations. The diffusion coefficients of benzene and propylene in MFI, MWW and BEA zeolites were calculated by simulating the mean-square displacements（MSD） at 298 and 600 K. Benzene and propylene showed the different adsorption rules in the channels of the three zeolites. For propylene, the molecular loadings decreased in the order： BEA（linear channel）〉BEA （tortuous channel）〉MFI（linear channel）〉MWW（12-membered rings, 12MR channel）〉MFI（tortuous channel）〉MWW （10-membered rings, 10MR channel）; for benzene, the molecular loadings decreased in the order： BEA（linear chan-nel）〉BEA（tortuous channel）〉MWW（12MR channel）〉MFI（linear channel）〉MFI（tortuous channel）〉MWW（10MR channel）. Besides, the adsorption isotherms of benzene and propylene in the three zeolites at 298 and 443 K were simulated. The results show that the different factors influenced the molecular adsorption at various temperatures and pressures, leading to the different rules for the adsorption of benzene and propylene molecules in the zeolites. At a low pressure, the unfavorable energy would make the loadings of propylene lower than those of benzene. When pressure was higher than 0.25 kPa, the adsorption of benzene in MFI would nearly reach saturation.展开更多
The adsorption of four substances and their binary mixture is investigated via the terahertz time domain spectroscopy(THz-TDS). The selected unary compound(ethanol, acetone, ethyl acetate, and n-propyl acetate) and bi...The adsorption of four substances and their binary mixture is investigated via the terahertz time domain spectroscopy(THz-TDS). The selected unary compound(ethanol, acetone, ethyl acetate, and n-propyl acetate) and binary mixture(solution 1 is composed of ethanol and acetone, and solution 2 is composed of ethyl acetate and n-propyl acetate) exhibit different adsorption behaviors with varied polarities. In comparison with single component, solution 1 shows shorter adsorption equilibrium time, faster adsorption rate, and stronger adsorption capacity, which conform to a synergistic adsorption mechanism, while the competitive behavior is attributed to the slower adsorption in solution 2. In addition, the pseudo-second-order equation with terahertz parameter is used to assess the rate of binary component organics. The present results indicate a further understanding of multicomponent adsorption mechanisms.展开更多
To improve the understanding of the transport mechanism in shale gas reservoirs and build a theoretical basic for further researches on productivity evaluation and efficient exploitation, various gas transport mechani...To improve the understanding of the transport mechanism in shale gas reservoirs and build a theoretical basic for further researches on productivity evaluation and efficient exploitation, various gas transport mechanisms within a shale gas reservoir exploited by a horizontal well were thoroughly investigated, which took diffusion, adsorption/desorption and Darcy flow into account. The characteristics of diffusion in nano-scale pores in matrix and desorption on the matrix surface were both considered in the improved differential equations for seepage flow. By integrating the Langmuir isotherm desorption items into the new total dimensionless compression coefficient in matrix, the transport function and seepage flow could be formalized, simplified and consistent with the conventional form of diffusion equation. Furthermore, by utilizing the Laplace change and Sethfest inversion changes, the calculated results were obtained and further discussions indicated that transfer mechanisms were influenced by diffusion, adsorption/desorption. The research shows that when the matrix permeability is closed to magnitude of 10^-9D, the matrix flow only occurs near the surfacial matrix; as to the actual production, the central matrix blocks are barely involved in the production; the closer to the surface of matrix, the lower the pressure is and the more obvious the diffusion effect is; the behavior of adsorption/desorption can increase the matrix flow rate significantly and slow down the pressure of horizontal well obviously.展开更多
First-principle calculations,especially by the density functio nal theory(DFT),is used to study the structure and properties of oxygen/metal interfaces.Adsorption of oxygen molecules or atoms on metal surfaces plays a...First-principle calculations,especially by the density functio nal theory(DFT),is used to study the structure and properties of oxygen/metal interfaces.Adsorption of oxygen molecules or atoms on metal surfaces plays a key role in surface science and technology.This review is dedicated to the adsorption of oxygen molecules or atoms on metal surfaces and diffusion behavior from first-principle investigation.We hope that this review can provide some useful contributions to understa nd the study of adsorption properties and diffusion behavior on a metal surface at an atomic-scale,especially for those interested in catalytic oxidation and application of corrosion.展开更多
Fe3O4-octadecyltrichlorosilane（Fe3O4-OTS）was synthesized and used to remove dyes in a competitive system.Fe3O4-OTS was prepared by slow hydrolysis of OTS in cyclohexane on the surface of Fe3O4obtained through coprec...Fe3O4-octadecyltrichlorosilane（Fe3O4-OTS）was synthesized and used to remove dyes in a competitive system.Fe3O4-OTS was prepared by slow hydrolysis of OTS in cyclohexane on the surface of Fe3O4obtained through coprecipitation method.Scanning electron microscope（SEM）,energy dispersive spectrometer（EDS）,and contact angle analyzer（CA）were used to analyze the properties of Fe3O4-OTS.Methyl orange（MO）and methylene blue（MB）were selected as model molecules to study the influence mechanism of p H and ionic strength on competitive adsorption.The results of EDS and CA indicated that Fe3O4 was modified successfully with OTS on the surface.Silicon appeared and carbon content increased obviously on the surface of adsorbent.Contact angle of adsorbent increased from 0~o to 107~o after being modified by OTS.Fe3O4-OTS showed good separation for MO and MB in competitive system,which has potential to separate dyes in sewage.Separation factor（β~OB）changed from 18.724 to 0.017,when p H changed from 7 to 12,revealing that MO and MB could be separated almost thoroughly by Fe3O4-OTS.p H could change the surface charge of Fe3O4-OTS and structure of dyes,and thus change the interactions of competitive system indirectly.Even though hydrophobic interaction was enhanced,ionic strength reduced the difference of electrostatic interaction between dyes and Fe3O4-OTS.So it is unfavorable to separate dyes with opposite charges when ionic strength increases.These findings may provide theoretical guidances to separate two-component dye pollutants.展开更多
A new competitive adsorption isothermal model(CAIM)was developed for the coexistent and competitive binding of heavy metals to the soil surface.This model extended the earlier adsorption isothermal models by consideri...A new competitive adsorption isothermal model(CAIM)was developed for the coexistent and competitive binding of heavy metals to the soil surface.This model extended the earlier adsorption isothermal models by considering more than one kind of ion adsorption on the soil surface.It was compared with the Langmuir model using different conditions, and it was found that CAIM,which was suitable for competitive ion adsorption at the soil solid-liquid surface,had more advantages than the Langmuir model.The new competitive adsorption isothermal model was used to fit the data of heavy metal(Zn and Cd)competitive adsorption by a yellow soil at two temperatures.The results showed that CAIM was appropriate for the competitive adsorption of heavy metals on the soil surface at different temperatures.The fitted parameters of CAIM had explicit physical meaning.The model allowed for the calculation of the standard molar Gibbs free energy change,the standard molar enthalpy change,and the standard molar entropy change of the competitive adsorption of the heavy metals,Zn and Cd,by the yellow soil at two temperatures using the thermodynamic equilibrium constants.展开更多
In the article the Grand Canonical Monte Carlo （GCMC）, molecular dynamics（MD）, and kinetic Monte Carlo （KMC） simulations with particular focus on ascertaining the loading dependence of benzene diffusion in the z...In the article the Grand Canonical Monte Carlo （GCMC）, molecular dynamics（MD）, and kinetic Monte Carlo （KMC） simulations with particular focus on ascertaining the loading dependence of benzene diffusion in the zeolite were performed. First, a realistic representation of the structure of the sorbate-sorbent system was obtained based on GCMC simulation. The simulation clearly shows the characteristics of the adsorption sites of the benzene-NaY system, from which two kinds of preferably adsorbing sites for benzene molecules, called SⅡ and W sites, are identified. The structure thus obtained was then used as a basis for KMC and MD simulations. A compara-tive study by introducing and comparing two different mechanisms underlying jump diffusion in the zeolite of in-terest shows that the.MS diffusivity values predicted by the KMC and MD methods are fairly close to each other,leading to the conclusion that for benzene diffusion in NaY, the SⅡ→W→SⅡ jumps of benzene molecules are dominated,while the W→Wjumps do not exist in the process. These findings provide further support to our previous conclusion about the absence of the W→W jumps in the process of benzene diffusion in NaY. Finally, to relations, for predicting the self-and MS difthsivities were derived and found to be in fair agreement with the KMC and MD simulations.展开更多
The uptake capacities, and the adsorption kinetics, of copper, Cu（Ⅱ）, nickel, Ni（Ⅱ）, and cadmium, Cd（Ⅱ）, on peat have been studied under static conditions. The results show that the adsorption rates are rapid...The uptake capacities, and the adsorption kinetics, of copper, Cu（Ⅱ）, nickel, Ni（Ⅱ）, and cadmium, Cd（Ⅱ）, on peat have been studied under static conditions. The results show that the adsorption rates are rapid： equilibrium is reached in twenty minutes. The adsorption of copper, nickel and cadmium is pH dependent over the pH range from 2 to 6. The adsorption kinetics can be excellently described by the Elovich kinetic equation. The adsorption isotherm fits a Langmuir model very well. The adsorption capacities follow the order Cu^2＋ 〉 Ni^2＋〉 Cd^2＋ in single-component systems and the competitive adsorption capacities fall in the decreasing order Cu^2＋ 〉 Ni^2＋〉 Cd^2＋ in multi-component systems. The adsorption capacities of these three heavy metal ions on peat are consistent with their observed competitive adsorption capacities.展开更多
Three different zeolite catalysts with different pore sizes(MFI-type,BEA-type,and FAU-type zeolites)have been prepared.The influence of different zeolite catalysts on reactivity and product shape selectivity of tetral...Three different zeolite catalysts with different pore sizes(MFI-type,BEA-type,and FAU-type zeolites)have been prepared.The influence of different zeolite catalysts on reactivity and product shape selectivity of tetralin is investigated.Clear differences are observed in the reactivity of tetralin and distribution of products achieved by different catalysts.The diffusion and adsorption behavior of the reactant tetralin and its intermediates,n-butylbenzene and 1-methylindane under the reaction conditions are simulated using molecular simulation methods.Upon combining simulation results and experimental observations,it is shown that the difference in diffusion coefficient and competitive adsorption capacity can explain the reactivity of tetralin and the selectivity of products.The steric hindrance of the MFI-type zeolite mainly limits the key step of ring opening of tetralin,leading to lower selectivity of ring-opening products.n-Butylbenzene molecules can diffuse sufficiently fast in the large pores of FAU-type zeolite and the weak adsorption capacity of n-butylbenzene leads to its insufficient cracking.In addition,it also explains the reason that the BEA-type zeolite has the best BTX selectivity,because it can satisfy both good ring-opening activity and sufficient butylbenzene cracking depth.展开更多
First-principles calculations based on density functional theory are used to investigate the adsorptions and diffusions of carbon atoms on the surface and in the subsurface of Co （200）. The preferred site for the ca...First-principles calculations based on density functional theory are used to investigate the adsorptions and diffusions of carbon atoms on the surface and in the subsurface of Co （200）. The preferred site for the carbon atom on the surface is the hollow site, and the preferred site in the subsurface is the octahedral site. There is charge transfer from the surface to the adsorbed carbon atom, and for the most favorable adsorbed structure the charge transfer is largest. Moreover, the energy barriers for the diffusions of carbon atoms on the surface and from the surface into the subsurface and then back to the surface are calculated in detail. The results indicate that the energy barrier for the diffusion of carbon atoms on the surface is comparable to that from the subsurface to the surface. The results imply that both the direct surface nucleation and the surface segregation from Co bulk can be observed in the chemical vapor deposition growth of graphene on Co （200） substrate, which can gain a new insight into the growth mechanism of graphene.展开更多
Heavy metals can be introduced into urban soils at the same time. Therefore, their selective retention and competitive adsorption by the soils become of major importance in determining their availability and movement ...Heavy metals can be introduced into urban soils at the same time. Therefore, their selective retention and competitive adsorption by the soils become of major importance in determining their availability and movement throughout the soil. In this study, the availability and mobility of six heavy metals in eight urban soils collected from different cities of Zhejiang Province, southeastern China were assessed using distribution coefficients（Kd） and retardation factor（Rf）. The results showed that there were great differences in the Kd and Rfamong the tested soils. The adsorption sequences were Cr〉Pb〉Cu〉Cd〉Zn〉Ni, and the Kd decreased with increasing levels of metal addition. Ni generally has the lowest Rf values followed closely by Cd, and Zn whereas Cr and Pb reached the highest values. The results suggest that Ni and Zn have the highest mobility associated to the lowest adsorption, Cr and Pb present the opposite behavior. Correlation analysis indicates that soil pH, CaCO3 content, and cation exchange capacity （CEC） are key factors controlling the solubility and mobility of the metals in the urban soils.展开更多
基金supported by the National Natural Science Foundation of China(Grant No.U23A2022)the National Natural Science Foundation of China(Grant No.52474047)+2 种基金the Natural Science Foundation of Chongqing(Grant No.CSTB2024NSCQ-MSX0951)the Natural Science Foundation of Sichuan Province(Grant No.2025ZNSFSC1357)the National Science and Technology Major Project(Grant No.2025ZD1404307).
文摘Injecting impure CO_(2)for enhanced gas recovery(CO_(2)-EGR)offers a dual benefit by improving natural gas extraction while enabling CO_(2)sequestration.However,the interactions between CO_(2),N_(2),and CH_(4)under reservoir conditions require further investigation.This study employs Grand Canonical Monte Carlo(GCMC)and Molecular Dynamics(MD)simulations to quantify the adsorption and diffusion behaviors of CO_(2),N_(2),and CH_(4)in quartz nanopores over a pressure range of 1-24 MPa under varying water saturations and gas compositions.The results indicate that:(1)CO_(2)exhibits the broadest energy distribution and the strongest adsorption stability,occupying about 20%-30%more adsorption sites than CH_(4)or N_(2)and showing the least sensitivity to water saturation,with only a 30%reduction at 50%saturation,compared to 60%for CH_(4),giving CO_(2)a clear competitive advantage.(2)The adsorption and desorption behaviors are strongly pressure dependent,as increasing pressure reduces the adsorption layer area and shifts gas distribution from adsorption dominated to free phase.Competitive adsorption analysis reveals that while CO_(2)dominates displacement at low pressures,mixtures that contain N_(2)achieve higher CH_(4)desorption efficiency above 13 MPa by mitigating diffusion resistance.(3)A higher N_(2)fraction improves CH_(4)diffusion coefficients,thereby facilitating gas mobility and ensuring superior recovery performance under high-pressure conditions.This study advances the fundamental knowledge of microscale gas behavior in tight sandstones and supports the feasibility of impure CO_(2)injection as a practical strategy for sustainable gas production.
基金support from the National Natural Science Foundation of China (22325808,U22B20140,22021004)。
文摘An in-depth understanding of the competition mechanism between olefins and different types of sulfides in gasoline is essential to improve the desulfurization selectivity of the adsorption desulfurization process(ADS).In this study,the competitive adsorption and diffusion mechanism of two systems,diethyl sulfide/cyclohexene and n-butyl mercaptan/cyclohexene,with different adsorption amounts in siliceous faujasite zeolite(FAU) were investigated by Monte Carlo(MC) and molecular dynamics(MD).The systems exhibited a two-stage loading-dependent competitive adsorption and diffusion mechanism,with an inflection point of 32 molecule/UC(moleculers per microcoulomb).Before the inflection point(4-32molecule/UC),the competition mechanism of the two systems was the "optimal-displacement" mechanism.After the inflection point,the mechanism of the diethyl sulfide/cyclohexene changed to "relocation-displacement",while that of the n-butyl mercaptan/cyclohexene system changed to "dominantdisplacement".Compared to ether functional groups,the alcohol functional group has higher polarity and stronger adsorption stability,thus occupying more favorable adsorption sites within the supercages(SCs),while ethyl sulfide shifts outward to other sites within other SCs.In addition,the diffusion performance of adsorbent is related to the adsorption energy.The lower the adsorption energy,the weaker the diffusion ability.Meanwhile,the diffusion performance of adsorbates is better at high temperatures and low adsorption capacity.The effect of temperatu re on the desulfu rization selectivity was determined.A lower temperature is favorable for the adsorption capacity of the two systems and the removal selectivity of sulfides.This study provides fundamental insights into the competitive adsorption and diffusion mechanisms among sulfides,mercaptans and olefins,offering theoretical guidance for adsorbent design and reaction temperature optimization.
基金supported by the Guangxi Science and Technology Program(2023AB38061)the National Natural Science Foundation of China(22162004,22479031)the High-performance Computing Platform of Guangxi University。
文摘Co_(3)O_(4) is a promising catalyst for the chlorine evolution reaction(CER)in seawater;however,its CER selectivity is compromised by the adsorption of the competitive oxygen evolution reaction intermediate(OH^(-))at Co sites.Inspired by the hard-soft acid-base(HSAB)theory,this study proposes incorporating early transition metal sites(V)with a low degree of electron delocalization into Co_(3)O_(4) to modulate the selective adsorption of reactants on catalytic sites.Experimental and theoretical calculations reveal that V incorporation facilitates the electron accumulation at the Co site,significantly strengthening the interaction between Co and Cl^(-).Meanwhile,the loss of electrons from V sites generates a more localized electronic state that preferentially adsorbs OH^(-),thus reducing the Co-OH interaction and releasing more Co sites for Cl^(-)adsorption.Therefore,Co_(2)VO_(4) exhibits a high CER selectivity of 92.3%and maintains one of the highest stabilities over 300 h in natural seawater.The resulting half-flow cell achieves~100%disinfection efficiency in seawater,validating the HSAB theory-based design strategy and offering new guidance for developing highly selective seawater CER catalysts.
基金Funded by the National Basic Research Program of China(973 Program)(2009CB23201)the National Natural Science Foundation of China(51378408)the Fundamental Research Funds for the Central Universities of China(WUT:2013-IV-036)
文摘The adsorption amount, ξ-potential of cement particles and fluidity of cement paste were tested to research the competitive adsorption between naphthalene superplasticizer （FDN） and STPP. The experimental results showed that the presence of STPP could significantly improve the fluidity of cement paste and reduce the fluidity loss with FDN. There existed a competitive adsorption between STPP and FDN. STPP and calcium ions formed complexes; they preferentially adsorbed onto surface of cement particles and preempt adsorption points of FDN; and it reduced adsorption amount of FDN. In the absence of STPP, saturation adsorption amount of FDN was 5.93 mg/g; but when the dosage of STPP was 0.1%, it reduced to 4.3 mg/g （about 72.5%）. The adsorption amount of FDN was reduced by STPP, but ξ-potential of cement particles enhanced and fluidity of cement paste increased because of strong negative charge effect of the complexes. Adsorption of the complexes would delay Ca^2＋ into liquid and inhibit formation of active adsorption points. Then, content of FDN in liquid increased with the addition of STPP and ξ-potential of cement particles became stable. In this way, fluidity loss of cement paste reduced.
文摘An aminated hypercrosslinked macroporous polymeric adsorbent was synthesized and characterized. Adsorption isotherms for 1 amino 2 naphthol 4 sulfonic acid(1, 2, 4 acid) and 2 naphthol obtained from various binary adsorption environments can be well fitted by Freundlich equation, which indicated a favorable adsorption process in the studied range. Adsorption for 1, 2, 4 acid was an endothermic process in comparison with that for 2 naphthol of an exothermic process. 2 naphthol molecules put a little influence on the adsorption capacity for 1, 2, 4 acid. However, the adsorption to 1, 2, 4 acid depressed that to 2 naphthol in a large extent for the stronger electrostatic interaction between 1, 2, 4 acid and adsorbent. The predominant mechanism can be contributed to the competition for adsorption sites. And the simultaneous environment was confirmed to be helpful to the selective adsorption towards 1,2,4 acid based on the larger selectivity index.
基金financially supported by State’s Key Project of Research and Development Plan,China(y804091001)National Natural Science Foundation of China(51776211)Key Special Project for Introduced Talents Team of Southern Marine Science and Engineering Guangdong Laboratory(Guangzhou)(GML2019ZD0101)。
文摘Converting peanut shells into biochar by pyrolysis was considered an environmentally friendly and efficient method for agricultural solid waste disposal.The properties of peanut shell-derived biochar(PBC)under different temperature and its adsorption capacity of heavy metals were investigated.It was found that PBC400 exhibited the highest cumulative capability for heavy metals elimination in single solute because of its high specific surface area and rich functional groups.Furthermore,the competitive adsorption revealed that PBC had a substantial difference in adsorption affinity from diverse heavy metal ions,sorption capacity decreased as Pb2+>Cu2+>Cd2+>Ni2+>Zn2+,which was lower than in a single solute.The adsorption process using selected biochar was optimized with respect to p H,reaction time,adsorbent dose,and initial concentration of heavy metals.The kinetic data was well fitted with PSO model,and the Langmuir model was adopted for adsorption equilibrium data in both cases of single solutes and mixed solutes for all heavy metals,which indicated that the removal course was primarily explained by monolayer adsorption,and chemical adsorption occupied an important role.Therefore,peanut shells derived biochar could be a potential and green adsorbent for wastewater treatment.
基金supported by the National Science Fundfor Distinguished Young Scholars(No.50425825)the National Natural Science Foundation of China(No.50538080)
文摘The equivalence between multilayered barriers regarding diffusion and adsorption was studied.The bottom boundary of the liner system is defined by assuming concentration continuous and flux continuous conditions of the contaminant between the bottom liner layer and the underlying soil.Five different liner systems were compared in terms of solute breakthrough time.The results of the analysis showed that breakthrough time of the hydrophobic organic compounds for a 2-meter-thick compacted clay liner(CCL)could be 3-4 orders of magnitude is greater than the breakthrough time for a geosynthetic clay liner(GCL)composite liner.The GM/GCL and GM/CCL composite liner systems provide a better diffusion barrier for the hydrophilic organic compounds than that for the hydrophobic compounds due to their different Henry's coefficient.The calculated breakthrough times of the organic contaminants for the Chinese standard liner systems were found to be generally greater than those for the GCL alternatives,for the specific conditions examined.If the distribution coefficient increases to 2.8 for the hydrophobic compounds or 1.0 for the hydrophilic compounds,the thickness of the attenuation layer needed to achieve the same breakthrough time as the standard liner systems can be reduced by a factor of about 1.9-2.4.As far as diffusive and adsorption contaminant transport are concerned,GM or GCL is less effective than CCL.
文摘In this work, the adsorption and diffusion behavior of nitrate ions into polycationic P（DMAEMA/HEMA） hydrogels is analyzed. Experimental results indicated that nitrate ions can be removed efficiently from aqueous solutions. Adsorption isotherm of gels was well according to the Langmuir and Langmuir-Freundlich models. At the same time, the diffusion behavior of nitrate ions from P（DMAEMA/HEMA） hydrogels was investigated. The diffusion coefficients are strongly influenced by the changes of temperature and pH value of solutions. At the same time, D does not depend on the gels cross-linking ratio and initial solute concentration.
基金financial support from the National Natural Science Foundation of China(20976077,21076100)the National 973 Foundation of China(2007CB216403)
文摘Para-xylene was chosen as the probe molecule to study adsorption thermodynamics and diffusion kinetics on NaY zeolite and composite structured NaY zeolite synthesized by in-situ crystallization from kaolin microsphere(designated as Na Y/kaolin composites) separately, using a high precision intelligent gravimetric analyzer(IGA). The adsorption isotherms showed normal Langmuir type-Ⅰ behaviors. The increased adsorption heat with an increasing p-xylene coverage supported a mechanism of phase transition, diffusion and re-arrangement of p-xylene molecules during the adsorption process. The rearrangement seemed to be most pronounced at an adsorption loading of 2.13 and 2.29 mmol/g for Na Y zeolite and Na Y/kaolin composites respectively. Compared with Na Y zeolite, a 2—3 times higher in the diffusion coefficient of p-xylene was observed on Na Y/kaolin composites when the pressure was more than 50 Pa. Temperature-programmed desorption(TPD) of p-xylene on two samples from room temperature to 450 ℃ at a special loading has also been investigated by IGA. Results showed only single desorption peak appeared for Na Y zeolite, indicating that adsorption can only occur in the super-cage structure. Comparably, there were two different peaks for in-situ synthesized Na Y zeolite, corresponding to the two thermo desorption processes in both super-cage structure and the channels provided by kaolin, respectively.Key words:
基金Supported by the National Natural Science Foundation of China(No.20576012)the Doctoral Fund of Qingdao University of Science and Technology China(No. 0022430)
文摘The diffusion and adsorption behaviors of benzene and propylene in zeolites MFI, MWW and BEA have been studied by molecular dynamics（MD） and grand canonical Monte Carlo（GCMC） simulations. The diffusion coefficients of benzene and propylene in MFI, MWW and BEA zeolites were calculated by simulating the mean-square displacements（MSD） at 298 and 600 K. Benzene and propylene showed the different adsorption rules in the channels of the three zeolites. For propylene, the molecular loadings decreased in the order： BEA（linear channel）〉BEA （tortuous channel）〉MFI（linear channel）〉MWW（12-membered rings, 12MR channel）〉MFI（tortuous channel）〉MWW （10-membered rings, 10MR channel）; for benzene, the molecular loadings decreased in the order： BEA（linear chan-nel）〉BEA（tortuous channel）〉MWW（12MR channel）〉MFI（linear channel）〉MFI（tortuous channel）〉MWW（10MR channel）. Besides, the adsorption isotherms of benzene and propylene in the three zeolites at 298 and 443 K were simulated. The results show that the different factors influenced the molecular adsorption at various temperatures and pressures, leading to the different rules for the adsorption of benzene and propylene molecules in the zeolites. At a low pressure, the unfavorable energy would make the loadings of propylene lower than those of benzene. When pressure was higher than 0.25 kPa, the adsorption of benzene in MFI would nearly reach saturation.
基金Project supported by the National Natural Science Foundation of China(Grant No.11574401)the Science Foundation of China University of Petroleum,Beijing(Grant Nos.2462017YJRC029 and yjs2017019)the Beijing Natural Science Foundation,China(Grant No.1184016)
文摘The adsorption of four substances and their binary mixture is investigated via the terahertz time domain spectroscopy(THz-TDS). The selected unary compound(ethanol, acetone, ethyl acetate, and n-propyl acetate) and binary mixture(solution 1 is composed of ethanol and acetone, and solution 2 is composed of ethyl acetate and n-propyl acetate) exhibit different adsorption behaviors with varied polarities. In comparison with single component, solution 1 shows shorter adsorption equilibrium time, faster adsorption rate, and stronger adsorption capacity, which conform to a synergistic adsorption mechanism, while the competitive behavior is attributed to the slower adsorption in solution 2. In addition, the pseudo-second-order equation with terahertz parameter is used to assess the rate of binary component organics. The present results indicate a further understanding of multicomponent adsorption mechanisms.
基金Foundation item： Project（PLN1129）supported by Opening Fund of State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation （Southwest Petroleum University）, China
文摘To improve the understanding of the transport mechanism in shale gas reservoirs and build a theoretical basic for further researches on productivity evaluation and efficient exploitation, various gas transport mechanisms within a shale gas reservoir exploited by a horizontal well were thoroughly investigated, which took diffusion, adsorption/desorption and Darcy flow into account. The characteristics of diffusion in nano-scale pores in matrix and desorption on the matrix surface were both considered in the improved differential equations for seepage flow. By integrating the Langmuir isotherm desorption items into the new total dimensionless compression coefficient in matrix, the transport function and seepage flow could be formalized, simplified and consistent with the conventional form of diffusion equation. Furthermore, by utilizing the Laplace change and Sethfest inversion changes, the calculated results were obtained and further discussions indicated that transfer mechanisms were influenced by diffusion, adsorption/desorption. The research shows that when the matrix permeability is closed to magnitude of 10^-9D, the matrix flow only occurs near the surfacial matrix; as to the actual production, the central matrix blocks are barely involved in the production; the closer to the surface of matrix, the lower the pressure is and the more obvious the diffusion effect is; the behavior of adsorption/desorption can increase the matrix flow rate significantly and slow down the pressure of horizontal well obviously.
基金supported by the National Key R&D Program of China(Nos.2017YFB0305600 and 2017YFB0306000)the Fok Ying Tung Education Foundation(No.171101)the Youth Innovation Team of Shaanxi Universities(No.2019-2022)。
文摘First-principle calculations,especially by the density functio nal theory(DFT),is used to study the structure and properties of oxygen/metal interfaces.Adsorption of oxygen molecules or atoms on metal surfaces plays a key role in surface science and technology.This review is dedicated to the adsorption of oxygen molecules or atoms on metal surfaces and diffusion behavior from first-principle investigation.We hope that this review can provide some useful contributions to understa nd the study of adsorption properties and diffusion behavior on a metal surface at an atomic-scale,especially for those interested in catalytic oxidation and application of corrosion.
基金Funded by the National Natural Science Foundation of China(Nos.51403229,21401209,and U1507104)the Foundation of Youth Innovation Promotion Association,CAS(Y310031024)+1 种基金the Natural Science Foundation of Qinghai Province(2015-ZJ-933Q)the West Light Foundation of CAS
文摘Fe3O4-octadecyltrichlorosilane（Fe3O4-OTS）was synthesized and used to remove dyes in a competitive system.Fe3O4-OTS was prepared by slow hydrolysis of OTS in cyclohexane on the surface of Fe3O4obtained through coprecipitation method.Scanning electron microscope（SEM）,energy dispersive spectrometer（EDS）,and contact angle analyzer（CA）were used to analyze the properties of Fe3O4-OTS.Methyl orange（MO）and methylene blue（MB）were selected as model molecules to study the influence mechanism of p H and ionic strength on competitive adsorption.The results of EDS and CA indicated that Fe3O4 was modified successfully with OTS on the surface.Silicon appeared and carbon content increased obviously on the surface of adsorbent.Contact angle of adsorbent increased from 0~o to 107~o after being modified by OTS.Fe3O4-OTS showed good separation for MO and MB in competitive system,which has potential to separate dyes in sewage.Separation factor（β~OB）changed from 18.724 to 0.017,when p H changed from 7 to 12,revealing that MO and MB could be separated almost thoroughly by Fe3O4-OTS.p H could change the surface charge of Fe3O4-OTS and structure of dyes,and thus change the interactions of competitive system indirectly.Even though hydrophobic interaction was enhanced,ionic strength reduced the difference of electrostatic interaction between dyes and Fe3O4-OTS.So it is unfavorable to separate dyes with opposite charges when ionic strength increases.These findings may provide theoretical guidances to separate two-component dye pollutants.
基金Project supported by the Program for Changjiang Scholars and Innovative Research Team in University of China(No.IRT0749)
文摘A new competitive adsorption isothermal model(CAIM)was developed for the coexistent and competitive binding of heavy metals to the soil surface.This model extended the earlier adsorption isothermal models by considering more than one kind of ion adsorption on the soil surface.It was compared with the Langmuir model using different conditions, and it was found that CAIM,which was suitable for competitive ion adsorption at the soil solid-liquid surface,had more advantages than the Langmuir model.The new competitive adsorption isothermal model was used to fit the data of heavy metal(Zn and Cd)competitive adsorption by a yellow soil at two temperatures.The results showed that CAIM was appropriate for the competitive adsorption of heavy metals on the soil surface at different temperatures.The fitted parameters of CAIM had explicit physical meaning.The model allowed for the calculation of the standard molar Gibbs free energy change,the standard molar enthalpy change,and the standard molar entropy change of the competitive adsorption of the heavy metals,Zn and Cd,by the yellow soil at two temperatures using the thermodynamic equilibrium constants.
基金Supported by the StaLe Key Development Program for Basic Research of China （2004CB719505）, and the National Natural Science Foundation of China （20625621）.
文摘In the article the Grand Canonical Monte Carlo （GCMC）, molecular dynamics（MD）, and kinetic Monte Carlo （KMC） simulations with particular focus on ascertaining the loading dependence of benzene diffusion in the zeolite were performed. First, a realistic representation of the structure of the sorbate-sorbent system was obtained based on GCMC simulation. The simulation clearly shows the characteristics of the adsorption sites of the benzene-NaY system, from which two kinds of preferably adsorbing sites for benzene molecules, called SⅡ and W sites, are identified. The structure thus obtained was then used as a basis for KMC and MD simulations. A compara-tive study by introducing and comparing two different mechanisms underlying jump diffusion in the zeolite of in-terest shows that the.MS diffusivity values predicted by the KMC and MD methods are fairly close to each other,leading to the conclusion that for benzene diffusion in NaY, the SⅡ→W→SⅡ jumps of benzene molecules are dominated,while the W→Wjumps do not exist in the process. These findings provide further support to our previous conclusion about the absence of the W→W jumps in the process of benzene diffusion in NaY. Finally, to relations, for predicting the self-and MS difthsivities were derived and found to be in fair agreement with the KMC and MD simulations.
基金Project[2006]331 supported by the Scientific Research Foundation for the Returned Overseas Chinese Scholars,Ministry of Education of China0504 by the Doctoral Initial Foundation of East China University of Technology070712 by the Initial Foundation by Key Laboratory of Nuclear Resources and Environment,Ministry of Education of China
文摘The uptake capacities, and the adsorption kinetics, of copper, Cu（Ⅱ）, nickel, Ni（Ⅱ）, and cadmium, Cd（Ⅱ）, on peat have been studied under static conditions. The results show that the adsorption rates are rapid： equilibrium is reached in twenty minutes. The adsorption of copper, nickel and cadmium is pH dependent over the pH range from 2 to 6. The adsorption kinetics can be excellently described by the Elovich kinetic equation. The adsorption isotherm fits a Langmuir model very well. The adsorption capacities follow the order Cu^2＋ 〉 Ni^2＋〉 Cd^2＋ in single-component systems and the competitive adsorption capacities fall in the decreasing order Cu^2＋ 〉 Ni^2＋〉 Cd^2＋ in multi-component systems. The adsorption capacities of these three heavy metal ions on peat are consistent with their observed competitive adsorption capacities.
文摘Three different zeolite catalysts with different pore sizes(MFI-type,BEA-type,and FAU-type zeolites)have been prepared.The influence of different zeolite catalysts on reactivity and product shape selectivity of tetralin is investigated.Clear differences are observed in the reactivity of tetralin and distribution of products achieved by different catalysts.The diffusion and adsorption behavior of the reactant tetralin and its intermediates,n-butylbenzene and 1-methylindane under the reaction conditions are simulated using molecular simulation methods.Upon combining simulation results and experimental observations,it is shown that the difference in diffusion coefficient and competitive adsorption capacity can explain the reactivity of tetralin and the selectivity of products.The steric hindrance of the MFI-type zeolite mainly limits the key step of ring opening of tetralin,leading to lower selectivity of ring-opening products.n-Butylbenzene molecules can diffuse sufficiently fast in the large pores of FAU-type zeolite and the weak adsorption capacity of n-butylbenzene leads to its insufficient cracking.In addition,it also explains the reason that the BEA-type zeolite has the best BTX selectivity,because it can satisfy both good ring-opening activity and sufficient butylbenzene cracking depth.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.51002014,51202017,and 51372095)the Research Fund for the Doctoral Program of Higher Education of China(Grant No.20120061120039)+2 种基金the Funds from the Science and Technology Department of Jilin Province,China(Grant Nos.20120745 and 20130101029JC)the Funds from the Department of Education of Jilin Province,China(Grant No.2013279)the Youth Science Research Foundation of Liaoning University,China(Grant No.2013LDQN20)
文摘First-principles calculations based on density functional theory are used to investigate the adsorptions and diffusions of carbon atoms on the surface and in the subsurface of Co （200）. The preferred site for the carbon atom on the surface is the hollow site, and the preferred site in the subsurface is the octahedral site. There is charge transfer from the surface to the adsorbed carbon atom, and for the most favorable adsorbed structure the charge transfer is largest. Moreover, the energy barriers for the diffusions of carbon atoms on the surface and from the surface into the subsurface and then back to the surface are calculated in detail. The results indicate that the energy barrier for the diffusion of carbon atoms on the surface is comparable to that from the subsurface to the surface. The results imply that both the direct surface nucleation and the surface segregation from Co bulk can be observed in the chemical vapor deposition growth of graphene on Co （200） substrate, which can gain a new insight into the growth mechanism of graphene.
文摘Heavy metals can be introduced into urban soils at the same time. Therefore, their selective retention and competitive adsorption by the soils become of major importance in determining their availability and movement throughout the soil. In this study, the availability and mobility of six heavy metals in eight urban soils collected from different cities of Zhejiang Province, southeastern China were assessed using distribution coefficients（Kd） and retardation factor（Rf）. The results showed that there were great differences in the Kd and Rfamong the tested soils. The adsorption sequences were Cr〉Pb〉Cu〉Cd〉Zn〉Ni, and the Kd decreased with increasing levels of metal addition. Ni generally has the lowest Rf values followed closely by Cd, and Zn whereas Cr and Pb reached the highest values. The results suggest that Ni and Zn have the highest mobility associated to the lowest adsorption, Cr and Pb present the opposite behavior. Correlation analysis indicates that soil pH, CaCO3 content, and cation exchange capacity （CEC） are key factors controlling the solubility and mobility of the metals in the urban soils.
