Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is...Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is investigated.By analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of 0.96.For the same salt,a positive correlation was found between CTR and the molar ratio of salt and water.For type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,respectively.The solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions.展开更多
The simple equation relating the activity coefficient of each solute in mixed electrolyte solution to its value in binary solutions under isopiestic equilibrium was tested by comparison with the experimental data for ...The simple equation relating the activity coefficient of each solute in mixed electrolyte solution to its value in binary solutions under isopiestic equilibrium was tested by comparison with the experimental data for the 18 electrolyte solutions consisting of 1：1, 1：2, and 1：3 electrolytes. The isopiestic measurements were made on the quaternary system BaCl2-NH4Br-NaI-H2O and its ternary subsystems NaI-NH4Br-H2O, NaI-BaCl2-H2O, and NH4Br-BaCl2-H2O at 298.15K. The results were used to test the applicability of the Zdanovskii＇s rule to the mixed electrolyte solutions which contain no common ions, and the agreement is excellent. The activity coefficients of the solutes in the above quaternary and ternary systems calculated from the above-mentioned simple equation are in good agreement with the Pitzer＇s equation.展开更多
As the structure of electrical double layer(EDL)is crucial for the transport properties of ions in micro/nanochannels,to demonstrate the effects of the ion-ion correlations on EDL structures in mixture electrolyte sol...As the structure of electrical double layer(EDL)is crucial for the transport properties of ions in micro/nanochannels,to demonstrate the effects of the ion-ion correlations on EDL structures in mixture electrolyte solutions,the interaction forces between two mica surfaces immersed in different volume fractions of LaCl3/KCl and LaCl3/MgCl2 mixture solutions with a total ionic strength of 10^-4 mol/L were measured using a surface forces apparatus(SFA).The results reveal that the surface charge of mica surfaces can be inversed at a critical concentration of La^3+ions in electrolyte solutions,due to the correlations between La^3+ions.The addition of monovalent has negligible effects on ion-ion correlations,while the charge inversion was slightly suppressed by introducing the divalent ions.The mechanism of charge inversion in mixture electrolyte solutions was analyzed based on the strongly correlated liquid(SCL)theory.These findings provide implications for understanding the effects of ion-ion correlations on EDL structures,surface charge properties,and ion transportation.展开更多
We fabricated a microfluidic chip with simple structure and good sealing performance,and studied the influence of the electric field on THz absorption intensity of liquid samples treated at different times by using TH...We fabricated a microfluidic chip with simple structure and good sealing performance,and studied the influence of the electric field on THz absorption intensity of liquid samples treated at different times by using THz time domain spectroscopy system.The tested liquids were deionised water and CuSO_(4),CuC_(l2),NaHCO_(3),Na_(2)CO_(3) and NaCl solutions.The transmission intensity of the THz wave increases as the standing time of the electrolyte solution in the electric field increases.The applied electric field alters the dipole moment of water molecules in the electrolyte solution,which affects the vibration and rotation of the whole water molecules,breaks the hydrogen bonds in the water,increases the number of single water molecules and leads to the enhancement of the THz transmission spectrum.展开更多
A minimum-modified Debye-Hückel(DH)theory for electrolytes with size asymmetry is developed.Com-pared with the conventional DH theory,the minimum-modified DH theory only introduces an extra surface charge density...A minimum-modified Debye-Hückel(DH)theory for electrolytes with size asymmetry is developed.Com-pared with the conventional DH theory,the minimum-modified DH theory only introduces an extra surface charge density to capture the electrostatic effect of the size asymmetry of the electrolytes and hence facilitates a boundary element method for electrostatic potential calculation.This theory can distinguish the electrostat-ic energies and excess chemical potentials of ions with the same sizes but opposite charges,and is applied to a binary primitive electrolyte solution with moderate electrostatic coupling.Compared with the hyper-netted chain theory,the validity of this modified DH theory demonstrates significant improvement over the conventional DH theory.展开更多
Transport properties and the associated structural heterogeneity of room temperature aqueous ionic liquids and especially of super-concentrated electrolyte aqueous solutions have received increasing attention,due to t...Transport properties and the associated structural heterogeneity of room temperature aqueous ionic liquids and especially of super-concentrated electrolyte aqueous solutions have received increasing attention,due to their potential application in ionic battery.This paper briefly reviews the results reported mainly since 2010 about the liquid-liquid separation,aggregation of polar and apolar domains in neat RTILs,and solvent clusters and 3D networks chiefly constructed by anions in super-concentrated electrolyte solutions.At the same time,the dominating effect of desolvation process of metal ions at electrode/electrolyte interface upon the transport of metal ions is stressed.This paper also presents the current understanding of how water affects the anion-cation interaction,structural heterogeneities,the structure of primary coordination sheath of metal ions and consequently their transport properties in free water-poor electrolytes.展开更多
The performance of gas diffusion porous electrode starved of electrolyte solution can be significantly increased by decreasing the thickness of uneven liquid film covering the catalyst agglomerates.
In this paper we have systematically studied V-L equilibrium in ternary aqueous solutions containingvolatile electrolytes by introducing a ternary interaction term into Edwards generalized molecular thermody-namic mod...In this paper we have systematically studied V-L equilibrium in ternary aqueous solutions containingvolatile electrolytes by introducing a ternary interaction term into Edwards generalized molecular thermody-namic model and optimizing several adjustable parameters.The program PARA9 with flexible functions ofdoing a series of calculations has been developed and carried out on a TQ-16 computer.It can be usedeither for directly calculating the V-L equilibrium or for optimizing the adjustable parameters.For the sys-toms（NH3-CO3-H2O3,NH3-H2S-H2O and NH3-SO2-H2O）satisfactory results have been obtained withrelative mean deviation of 5-10%.Besides,several sets of adjustable parameters and valuable information ofactivity coefficients,equilibrium concentrations of ions and molecules in solutions are obtained.展开更多
Accurate calculation of thermodynamic properties of electrolyte solution is essential in the design and optimization of many processes in chemical industries. A new electrolyte equation of state is developed for aqueo...Accurate calculation of thermodynamic properties of electrolyte solution is essential in the design and optimization of many processes in chemical industries. A new electrolyte equation of state is developed for aqueous electrolyte solutions. The Carnahan-Starling repulsive model and an attractive term based on square-well potential are adopted to represent the short range interaction of ionic and molecular species in the new electrolyte EOS. The long range interaction of ionic species is expressed by a simplified version of Mean Spherical Approximation theory （MSA）. The new equation of state also contains a Born term for charging free energy of ions. Three adjustable parameters of new eEOS per each electrolyte solution are size parameter, square-well potential depth and square-well potential interaction range. The new eEOS is applied for correlation of mean activity coefficient and prediction of osmotic coefficient of various strong aqueous electrolyte solutions at 25℃ and 0.1 MPa. In addition, the extension of the new eEOS for correlation of mean activity coefficient and solution density of a few aqueous electrolytes at temperature range of 0 to 100℃ is carried out.展开更多
A new expression for the osmotic and activity coefficients in single electrolyte solution is developed by reforming the Pitzer's osmotic equation.As a result,the correlations between the oMX,the sum of the"ha...A new expression for the osmotic and activity coefficients in single electrolyte solution is developed by reforming the Pitzer's osmotic equation.As a result,the correlations between the oMX,the sum of the"hard core"radii of ionsβ^(0)_(MX)andβ^(1)X_(MX),and the second virial coefficients/jjJx and'n Pitzer's equations are obtained.Furthermore,an"ionic overlap"model and its relevant equation are suggested.The relationships between the thermodynamic properties of aqueous electrolytes and the characteristic of their ions(ionic radii and ionic hydration)are discussed quantitatively.展开更多
Single-entity collisional electrochemistry(SECE)is a branch of single-entity electrochemistry.It can directly characterize entities/particles with single particle resolution through random collisions between particles...Single-entity collisional electrochemistry(SECE)is a branch of single-entity electrochemistry.It can directly characterize entities/particles with single particle resolution through random collisions between particles and electrodes in a solution,and obtain rich physicochemical information,thus becoming one of the frontiers of electroanalytical chemistry in the past two decades.Interestingly,the(micro/nanoscale)sensing electrodes have evolved from a polarizable liquid/liquid(mercury/liquid)interface to a solid/liquid interface and then to a liquid/liquid interface(i.e.,an interface between twoimmiscible electrolyte solutions,ITIES),as if they have completed a cycle(but in fact they have not).ITIES has become the latest sensing electrode in the booming SECE due to its polarizability(up to 1.1 V at the water/a,a,a-trifluorotoluene interface)and high reproducibility.The four measurement modes(direct electrolysis,mediated electrolysis,current blockade,and charge displacement)developed in the realm of SECE at solid/liquid interfaces have also been fully realized at the miniature ITIES.This article will discuss these four modes at the ITIES from the perspectives of basic concepts,operating mechanisms,and latest developments(e.g.,discovery of ionosomes,blockade effect of Faradaic ion transfer,etc.),and look forward to the future development and direction of this emerging field.展开更多
Microemulsions are usually used to prepare nanomaterials.The fo rmation behavior of microemulsions is crucial to the preparation of nanomaterials.Water in the internal phase is usually replaced by electrolyte solution...Microemulsions are usually used to prepare nanomaterials.The fo rmation behavior of microemulsions is crucial to the preparation of nanomaterials.Water in the internal phase is usually replaced by electrolyte solutions to prepare nanomaterials.Knowing the effects of electrolyte solution on the phase behavior of microemulsion is significant to the nanomaterial preparation.Microemulsion systems were studied by a conductivity method with cyclohexane as oil,Triton X-100 as surfactant,hexanol as cosurfactant,and deionized water or the electrolyte solutions of Cu(Ac)_(2)and Zn(Ac)_(2)as aqueous phases.The results showed that the replacement of water with electrolyte solution had a strong effect on the phase behavior of microemulsion system.The O/W microemulsion zone in water system was not observed in the studied electrolyte system.The shape and area of the corresponding phase zone in electrolyte system were different from that in water system.The microemulsion regions of electrolyte solution systems were always larger than that of water system.Zn(Ac)_(2)showed a larger microemulsion region than Cu(Ac)_(2)at 0.1 mol·L^(-1).The microemulsion phase region formed by 0.1 mol·L^(-1)Zn(Ac)_(2)+0.1 mol·L^(-1)Cu(Ac)_(2)was smaller than that formed by 0.1 mol·L^(-1)Zn(Ac)_(2)or 0.1 mol·L^(-1)Cu(Ac)_(2)lonely.With the increase of electrolyte concentration in the electrolyte solution and the rise of temperature,the microemulsion region shrank gradually.The changes of interactions between different components in the system should be responsible to the variation of phase behavior.The results provide important information for the microemulsion system with electrolyte solution as aqueous phase.展开更多
This study proposes a new electromagnetic rectangular mixer, and numerically examines the mixing characteristics of two different electrolyte solutions in the device under a uniform magnetic field. The mixer consists ...This study proposes a new electromagnetic rectangular mixer, and numerically examines the mixing characteristics of two different electrolyte solutions in the device under a uniform magnetic field. The mixer consists of a conduit with electrodes equipped on its top and bottom walls. The difference in the electric potentials applied to the sets of electrodes induces the current. The combination of the induced current and magnetic field yields Lorentz force, resulting in the fluid motion for pumping and mixing of the two different fluids. The numerical simulation is carried out with the use of commercial software CFX. The present numerical model is validated by an existing numerical work. The effect of different variables on mixing efficiency is investigated in many different cases with two different heights of the duct and various input voltages of the electrodes. The current simulation results indicate that the mixing performance can be enhanced by using multiple sets of electrodes and applying higher input voltages（absolute values） to the electrodes.展开更多
Based on statistical mechanics, a review of recent theoretical studies of real electrolyte solutions is presented from three aspects, namely, molecular simulation, mean spherical approximation (MSA), and perturbation ...Based on statistical mechanics, a review of recent theoretical studies of real electrolyte solutions is presented from three aspects, namely, molecular simulation, mean spherical approximation (MSA), and perturbation theory. Recent advances in studies of three kinds of electrostatic potentials of mean force, three kinds of internal energies (ion-ion, ion-dipole, and dipole-dipole interactions), and three kinds of electro-lyte models (primitive, non-primitive, and solvent primitive models) are introduced. The advantages and dis-advantages between primitive and non-primitive models, and between MSA and perturbation theory are dis-cussed. Some new equations of state (EOSs) based on MSA and perturbation theory for real electrolyte so-lutions are introduced. The one-Yukawa EOS and the two-Yukawa EOS for charged colloid systems are presented.展开更多
In this study, a new magnetohydrodynamic（MHD） mixer for electrolyte solutions with pumping function is reported, and the mixing performance of the device for two different electrolyte solutions is numerically examin...In this study, a new magnetohydrodynamic（MHD） mixer for electrolyte solutions with pumping function is reported, and the mixing performance of the device for two different electrolyte solutions is numerically examined in a uniform magnetic field. Application of different potentials to different electrodes allows the current to be induced. The combination of the induced current and magnetic field yields Lorentz force, resulting in the fluid motion. The numerical simulation for the flows in the device is carried out with commercial software CFX. The validity of CFX code for the present numerical model is presented. The mixing performance of the fluids is investigated in many different cases with different combinations of input voltage of the electrode. This study shows that the mixing performance can be enhanced by applying spatially alternating positive and negative voltages to the electrodes. The present simulation results show that with a magnetic field intensity lower than 0.5 T, a voltage difference smaller than 2.0 V, and an electric conductivity of electrolyte solution of 1.5 S/m the pumping capabilities ranging 1.6×10^（-7）-3.6×10^（-6） kg/s and the mixing indexes higher than 0.90 can be obtained with sophisticated designs of the micromixer.展开更多
AIM: To compare same-day whole-dose vs split-dose of 2-litre polyethylene glycol electrolyte lavage solution (PEG-ELS) plus bisacodyl for colon cleansing for morning colonoscopy.
This paper reports an investigation into the characterisation of liquidaivapor electrolyte solutions at high pressure and high temperature. A procedure to enable calcuIations of methane, carbon dioxide and hydrogen su...This paper reports an investigation into the characterisation of liquidaivapor electrolyte solutions at high pressure and high temperature. A procedure to enable calcuIations of methane, carbon dioxide and hydrogen sulphide solubilities in brines (0-6 m.) for temperature from 25 to 350℃ and for pressures from 1 to 1800 bar is presented. The model is based on Helgeson, Kirkham and Flowers modified equations of state (HKF) and on the semi-empirical interaction model introduced by Pitzer. HKF modified equations of state are used to calculate the reference fugacity of gas species, and the Pitzer ionic interaction model is used to calculate the activity coefficient of dissolved species (i.e. ionic or neutral).The efficiency of the combination of the two models is confirmed by several comparisons with data in the literature.展开更多
Lithium-ion batteries(LIBs)are an electrochemical energy storage technology that has been widely used for portable electrical devices,electric vehicles,and grid storage,etc.To satisfy the demand for user convenience e...Lithium-ion batteries(LIBs)are an electrochemical energy storage technology that has been widely used for portable electrical devices,electric vehicles,and grid storage,etc.To satisfy the demand for user convenience especially for electric vehicles,the development of a fast-charging technology for LIBs has become a critical focus.In commercial LIBs,the slow kinetics of Li+intercalation into the graphite anode from the electrolyte solution is known as the main restriction for fast-charging.We summarize the recent advances in obtaining fast-charging graphite-based anodes,mainly involving modifications of the electrolyte solution and graphite anode.Specifically,strategies for increasing the ionic conductivity and regulating the Li+solvation/desolvation state in the electrolyte solution,as well as optimizing the fabrication and the intrinsic activity of graphite-based anodes are discussed in detail.This review considers practical ways to obtain fast Li+intercalation kinetics into a graphite anode from the electrolyte as well as analysing progress in the commercialization of fast-charging LIBs.展开更多
The electrochemical corrosion behavior of both (Ce_(15)Nd_(85))_(30)Fe_(bal)B_(1)M sintered magnets prepared with dual-main-phase method and N45-type magnets was studied in 3.5 wt% NaCl,1.1 wt% NaH_(2)PO_(4),and 2.5 w...The electrochemical corrosion behavior of both (Ce_(15)Nd_(85))_(30)Fe_(bal)B_(1)M sintered magnets prepared with dual-main-phase method and N45-type magnets was studied in 3.5 wt% NaCl,1.1 wt% NaH_(2)PO_(4),and 2.5 wt% NaOH solutions,respectively.The (Ce_(15)Nd_(85))_(30)Fe_(bal)B_(1)M sintered magnets perform superior corrosion resistance than N45-type magnets in the tested solutions.In general,two kinds of magnets exhibit the best corrosion resistance property in 2.5 wt% NaOH solution,while the worst in 3.5 wt% NaCl solution.Microstructures of samples before and after corrosion were investigated.With the addition of Ce by means of dual-main-phase method,which is conducive to facilitating low-temperature sintering and grain refinement,uniform grain size and(Nd,Ce)-rich phase distribution form,give rise to narrow and thin corrosion channels.Moreover,the corrosion rate of the(Nd,Ce)-rich phase is lower than that of Nd-rich one.Acco rdingly,corro sion re sistance of (Ce_(15)Nd_(85))_(30)Fe_(bal)B_(1)M sintered magnet is superior when compared with the commercial N45-type magnet which has comparable magnetic properties.展开更多
In orber to calculate the activity coefficients of water in the aqueous solution systems of double electrolytes, HCl and MCln (M=Ni, Cu,Na and Fe), a simplified regular solution model has been derived based on the as...In orber to calculate the activity coefficients of water in the aqueous solution systems of double electrolytes, HCl and MCln (M=Ni, Cu,Na and Fe), a simplified regular solution model has been derived based on the assumption that the electrolytes in the aqueous solution are treated as independent particles instead of their ion forms, and that the interaction of the component pair HCl-MCln in the aqueous solution is very weak as compared with the component pairs HCl-H2O and H2 O-MCln. The interchange energies of the component pairs in the discussed systems, ωWCl-H2o, ωH2o-NiCl2,ωH2o-CuCl2, ωH2o-NaCl and ωH2O-FeCl3, have been evaluated from the experimental data to be-69800, -212600, -90550, -42450 and -198310J·mol-1.展开更多
基金supported by the National Natural Science Foundation of China(No.21776264).
文摘Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is investigated.By analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of 0.96.For the same salt,a positive correlation was found between CTR and the molar ratio of salt and water.For type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,respectively.The solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions.
基金the National-Natural Science Foundation of China （No.20476059, No.20276037） and 863 Hi-Technology Research and Development Program of China （2004 AA616040）.
文摘The simple equation relating the activity coefficient of each solute in mixed electrolyte solution to its value in binary solutions under isopiestic equilibrium was tested by comparison with the experimental data for the 18 electrolyte solutions consisting of 1：1, 1：2, and 1：3 electrolytes. The isopiestic measurements were made on the quaternary system BaCl2-NH4Br-NaI-H2O and its ternary subsystems NaI-NH4Br-H2O, NaI-BaCl2-H2O, and NH4Br-BaCl2-H2O at 298.15K. The results were used to test the applicability of the Zdanovskii＇s rule to the mixed electrolyte solutions which contain no common ions, and the agreement is excellent. The activity coefficients of the solutes in the above quaternary and ternary systems calculated from the above-mentioned simple equation are in good agreement with the Pitzer＇s equation.
基金The National Natural Science Foundation of China(No.51605090)the Natural Science Foundation of Jiangsu Province(No.BK20160776,BK20160670)Research Foundation of Nanjing Institute of Technology(No.YKJ201502)。
文摘As the structure of electrical double layer(EDL)is crucial for the transport properties of ions in micro/nanochannels,to demonstrate the effects of the ion-ion correlations on EDL structures in mixture electrolyte solutions,the interaction forces between two mica surfaces immersed in different volume fractions of LaCl3/KCl and LaCl3/MgCl2 mixture solutions with a total ionic strength of 10^-4 mol/L were measured using a surface forces apparatus(SFA).The results reveal that the surface charge of mica surfaces can be inversed at a critical concentration of La^3+ions in electrolyte solutions,due to the correlations between La^3+ions.The addition of monovalent has negligible effects on ion-ion correlations,while the charge inversion was slightly suppressed by introducing the divalent ions.The mechanism of charge inversion in mixture electrolyte solutions was analyzed based on the strongly correlated liquid(SCL)theory.These findings provide implications for understanding the effects of ion-ion correlations on EDL structures,surface charge properties,and ion transportation.
基金Project supported by the National Natural Science Foundation of China(Grant No.61575131).
文摘We fabricated a microfluidic chip with simple structure and good sealing performance,and studied the influence of the electric field on THz absorption intensity of liquid samples treated at different times by using THz time domain spectroscopy system.The tested liquids were deionised water and CuSO_(4),CuC_(l2),NaHCO_(3),Na_(2)CO_(3) and NaCl solutions.The transmission intensity of the THz wave increases as the standing time of the electrolyte solution in the electric field increases.The applied electric field alters the dipole moment of water molecules in the electrolyte solution,which affects the vibration and rotation of the whole water molecules,breaks the hydrogen bonds in the water,increases the number of single water molecules and leads to the enhancement of the THz transmission spectrum.
基金supported by the National Natural Science Foundation of China(No.21863001)a startup package from Guizhou Education University(to Tiejun Xiao)+1 种基金the Natural Science Foundation of de-partment of education of Guizhou province(No.QJKY[2015]483)a startup package from Guizhou Education University(to Yun Zhou).
文摘A minimum-modified Debye-Hückel(DH)theory for electrolytes with size asymmetry is developed.Com-pared with the conventional DH theory,the minimum-modified DH theory only introduces an extra surface charge density to capture the electrostatic effect of the size asymmetry of the electrolytes and hence facilitates a boundary element method for electrostatic potential calculation.This theory can distinguish the electrostat-ic energies and excess chemical potentials of ions with the same sizes but opposite charges,and is applied to a binary primitive electrolyte solution with moderate electrostatic coupling.Compared with the hyper-netted chain theory,the validity of this modified DH theory demonstrates significant improvement over the conventional DH theory.
基金the National Natural Science Foundation of China(Grant Nos.11974385 and 91956101)the Fund from the Chinese Academy of Sciences(Grant No.1731300500030)the Strategic Priority Research Program of Chinese Academy of Sciences(Grant No.XDB07030100).
文摘Transport properties and the associated structural heterogeneity of room temperature aqueous ionic liquids and especially of super-concentrated electrolyte aqueous solutions have received increasing attention,due to their potential application in ionic battery.This paper briefly reviews the results reported mainly since 2010 about the liquid-liquid separation,aggregation of polar and apolar domains in neat RTILs,and solvent clusters and 3D networks chiefly constructed by anions in super-concentrated electrolyte solutions.At the same time,the dominating effect of desolvation process of metal ions at electrode/electrolyte interface upon the transport of metal ions is stressed.This paper also presents the current understanding of how water affects the anion-cation interaction,structural heterogeneities,the structure of primary coordination sheath of metal ions and consequently their transport properties in free water-poor electrolytes.
文摘The performance of gas diffusion porous electrode starved of electrolyte solution can be significantly increased by decreasing the thickness of uneven liquid film covering the catalyst agglomerates.
文摘In this paper we have systematically studied V-L equilibrium in ternary aqueous solutions containingvolatile electrolytes by introducing a ternary interaction term into Edwards generalized molecular thermody-namic model and optimizing several adjustable parameters.The program PARA9 with flexible functions ofdoing a series of calculations has been developed and carried out on a TQ-16 computer.It can be usedeither for directly calculating the V-L equilibrium or for optimizing the adjustable parameters.For the sys-toms（NH3-CO3-H2O3,NH3-H2S-H2O and NH3-SO2-H2O）satisfactory results have been obtained withrelative mean deviation of 5-10%.Besides,several sets of adjustable parameters and valuable information ofactivity coefficients,equilibrium concentrations of ions and molecules in solutions are obtained.
文摘Accurate calculation of thermodynamic properties of electrolyte solution is essential in the design and optimization of many processes in chemical industries. A new electrolyte equation of state is developed for aqueous electrolyte solutions. The Carnahan-Starling repulsive model and an attractive term based on square-well potential are adopted to represent the short range interaction of ionic and molecular species in the new electrolyte EOS. The long range interaction of ionic species is expressed by a simplified version of Mean Spherical Approximation theory （MSA）. The new equation of state also contains a Born term for charging free energy of ions. Three adjustable parameters of new eEOS per each electrolyte solution are size parameter, square-well potential depth and square-well potential interaction range. The new eEOS is applied for correlation of mean activity coefficient and prediction of osmotic coefficient of various strong aqueous electrolyte solutions at 25℃ and 0.1 MPa. In addition, the extension of the new eEOS for correlation of mean activity coefficient and solution density of a few aqueous electrolytes at temperature range of 0 to 100℃ is carried out.
文摘A new expression for the osmotic and activity coefficients in single electrolyte solution is developed by reforming the Pitzer's osmotic equation.As a result,the correlations between the oMX,the sum of the"hard core"radii of ionsβ^(0)_(MX)andβ^(1)X_(MX),and the second virial coefficients/jjJx and'n Pitzer's equations are obtained.Furthermore,an"ionic overlap"model and its relevant equation are suggested.The relationships between the thermodynamic properties of aqueous electrolytes and the characteristic of their ions(ionic radii and ionic hydration)are discussed quantitatively.
基金supported by the National Natural Science Foundation of China(No.21904143).
文摘Single-entity collisional electrochemistry(SECE)is a branch of single-entity electrochemistry.It can directly characterize entities/particles with single particle resolution through random collisions between particles and electrodes in a solution,and obtain rich physicochemical information,thus becoming one of the frontiers of electroanalytical chemistry in the past two decades.Interestingly,the(micro/nanoscale)sensing electrodes have evolved from a polarizable liquid/liquid(mercury/liquid)interface to a solid/liquid interface and then to a liquid/liquid interface(i.e.,an interface between twoimmiscible electrolyte solutions,ITIES),as if they have completed a cycle(but in fact they have not).ITIES has become the latest sensing electrode in the booming SECE due to its polarizability(up to 1.1 V at the water/a,a,a-trifluorotoluene interface)and high reproducibility.The four measurement modes(direct electrolysis,mediated electrolysis,current blockade,and charge displacement)developed in the realm of SECE at solid/liquid interfaces have also been fully realized at the miniature ITIES.This article will discuss these four modes at the ITIES from the perspectives of basic concepts,operating mechanisms,and latest developments(e.g.,discovery of ionosomes,blockade effect of Faradaic ion transfer,etc.),and look forward to the future development and direction of this emerging field.
基金funded by the National Natural Science Foundation of China(22078203)fundamental research funds for the central universities(2022SCUH0041)。
文摘Microemulsions are usually used to prepare nanomaterials.The fo rmation behavior of microemulsions is crucial to the preparation of nanomaterials.Water in the internal phase is usually replaced by electrolyte solutions to prepare nanomaterials.Knowing the effects of electrolyte solution on the phase behavior of microemulsion is significant to the nanomaterial preparation.Microemulsion systems were studied by a conductivity method with cyclohexane as oil,Triton X-100 as surfactant,hexanol as cosurfactant,and deionized water or the electrolyte solutions of Cu(Ac)_(2)and Zn(Ac)_(2)as aqueous phases.The results showed that the replacement of water with electrolyte solution had a strong effect on the phase behavior of microemulsion system.The O/W microemulsion zone in water system was not observed in the studied electrolyte system.The shape and area of the corresponding phase zone in electrolyte system were different from that in water system.The microemulsion regions of electrolyte solution systems were always larger than that of water system.Zn(Ac)_(2)showed a larger microemulsion region than Cu(Ac)_(2)at 0.1 mol·L^(-1).The microemulsion phase region formed by 0.1 mol·L^(-1)Zn(Ac)_(2)+0.1 mol·L^(-1)Cu(Ac)_(2)was smaller than that formed by 0.1 mol·L^(-1)Zn(Ac)_(2)or 0.1 mol·L^(-1)Cu(Ac)_(2)lonely.With the increase of electrolyte concentration in the electrolyte solution and the rise of temperature,the microemulsion region shrank gradually.The changes of interactions between different components in the system should be responsible to the variation of phase behavior.The results provide important information for the microemulsion system with electrolyte solution as aqueous phase.
基金supported by the National Research and Development Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology and Ministry of Knowledge Economy (Grant No. 2014045308)
文摘This study proposes a new electromagnetic rectangular mixer, and numerically examines the mixing characteristics of two different electrolyte solutions in the device under a uniform magnetic field. The mixer consists of a conduit with electrodes equipped on its top and bottom walls. The difference in the electric potentials applied to the sets of electrodes induces the current. The combination of the induced current and magnetic field yields Lorentz force, resulting in the fluid motion for pumping and mixing of the two different fluids. The numerical simulation is carried out with the use of commercial software CFX. The present numerical model is validated by an existing numerical work. The effect of different variables on mixing efficiency is investigated in many different cases with two different heights of the duct and various input voltages of the electrodes. The current simulation results indicate that the mixing performance can be enhanced by using multiple sets of electrodes and applying higher input voltages（absolute values） to the electrodes.
基金the Fundamental Research Fund of Tsinghua University of China (No. JZ 2002003)
文摘Based on statistical mechanics, a review of recent theoretical studies of real electrolyte solutions is presented from three aspects, namely, molecular simulation, mean spherical approximation (MSA), and perturbation theory. Recent advances in studies of three kinds of electrostatic potentials of mean force, three kinds of internal energies (ion-ion, ion-dipole, and dipole-dipole interactions), and three kinds of electro-lyte models (primitive, non-primitive, and solvent primitive models) are introduced. The advantages and dis-advantages between primitive and non-primitive models, and between MSA and perturbation theory are dis-cussed. Some new equations of state (EOSs) based on MSA and perturbation theory for real electrolyte so-lutions are introduced. The one-Yukawa EOS and the two-Yukawa EOS for charged colloid systems are presented.
基金supported by the National R&D Program through the National Research Foundation of Korea (NRF)funded by the Ministry of Education, Science and Technology & Ministry of Knowledge Economy (NRF 2011-0022679)
文摘In this study, a new magnetohydrodynamic（MHD） mixer for electrolyte solutions with pumping function is reported, and the mixing performance of the device for two different electrolyte solutions is numerically examined in a uniform magnetic field. Application of different potentials to different electrodes allows the current to be induced. The combination of the induced current and magnetic field yields Lorentz force, resulting in the fluid motion. The numerical simulation for the flows in the device is carried out with commercial software CFX. The validity of CFX code for the present numerical model is presented. The mixing performance of the fluids is investigated in many different cases with different combinations of input voltage of the electrode. This study shows that the mixing performance can be enhanced by applying spatially alternating positive and negative voltages to the electrodes. The present simulation results show that with a magnetic field intensity lower than 0.5 T, a voltage difference smaller than 2.0 V, and an electric conductivity of electrolyte solution of 1.5 S/m the pumping capabilities ranging 1.6×10^（-7）-3.6×10^（-6） kg/s and the mixing indexes higher than 0.90 can be obtained with sophisticated designs of the micromixer.
基金Supported by University of Malaya Research Grant,Project No.RG536-13HTM
文摘AIM: To compare same-day whole-dose vs split-dose of 2-litre polyethylene glycol electrolyte lavage solution (PEG-ELS) plus bisacodyl for colon cleansing for morning colonoscopy.
文摘This paper reports an investigation into the characterisation of liquidaivapor electrolyte solutions at high pressure and high temperature. A procedure to enable calcuIations of methane, carbon dioxide and hydrogen sulphide solubilities in brines (0-6 m.) for temperature from 25 to 350℃ and for pressures from 1 to 1800 bar is presented. The model is based on Helgeson, Kirkham and Flowers modified equations of state (HKF) and on the semi-empirical interaction model introduced by Pitzer. HKF modified equations of state are used to calculate the reference fugacity of gas species, and the Pitzer ionic interaction model is used to calculate the activity coefficient of dissolved species (i.e. ionic or neutral).The efficiency of the combination of the two models is confirmed by several comparisons with data in the literature.
文摘Lithium-ion batteries(LIBs)are an electrochemical energy storage technology that has been widely used for portable electrical devices,electric vehicles,and grid storage,etc.To satisfy the demand for user convenience especially for electric vehicles,the development of a fast-charging technology for LIBs has become a critical focus.In commercial LIBs,the slow kinetics of Li+intercalation into the graphite anode from the electrolyte solution is known as the main restriction for fast-charging.We summarize the recent advances in obtaining fast-charging graphite-based anodes,mainly involving modifications of the electrolyte solution and graphite anode.Specifically,strategies for increasing the ionic conductivity and regulating the Li+solvation/desolvation state in the electrolyte solution,as well as optimizing the fabrication and the intrinsic activity of graphite-based anodes are discussed in detail.This review considers practical ways to obtain fast Li+intercalation kinetics into a graphite anode from the electrolyte as well as analysing progress in the commercialization of fast-charging LIBs.
基金Project supported by the Plan of National Key Research and Development of China (2021YFB3503003)the National Natural Science Foundation of China (51871063)+1 种基金the Key Research and Development Plan of Shandong Province(2019JZZY020210)the Major Projects in Inner Mongolia。
文摘The electrochemical corrosion behavior of both (Ce_(15)Nd_(85))_(30)Fe_(bal)B_(1)M sintered magnets prepared with dual-main-phase method and N45-type magnets was studied in 3.5 wt% NaCl,1.1 wt% NaH_(2)PO_(4),and 2.5 wt% NaOH solutions,respectively.The (Ce_(15)Nd_(85))_(30)Fe_(bal)B_(1)M sintered magnets perform superior corrosion resistance than N45-type magnets in the tested solutions.In general,two kinds of magnets exhibit the best corrosion resistance property in 2.5 wt% NaOH solution,while the worst in 3.5 wt% NaCl solution.Microstructures of samples before and after corrosion were investigated.With the addition of Ce by means of dual-main-phase method,which is conducive to facilitating low-temperature sintering and grain refinement,uniform grain size and(Nd,Ce)-rich phase distribution form,give rise to narrow and thin corrosion channels.Moreover,the corrosion rate of the(Nd,Ce)-rich phase is lower than that of Nd-rich one.Acco rdingly,corro sion re sistance of (Ce_(15)Nd_(85))_(30)Fe_(bal)B_(1)M sintered magnet is superior when compared with the commercial N45-type magnet which has comparable magnetic properties.
文摘In orber to calculate the activity coefficients of water in the aqueous solution systems of double electrolytes, HCl and MCln (M=Ni, Cu,Na and Fe), a simplified regular solution model has been derived based on the assumption that the electrolytes in the aqueous solution are treated as independent particles instead of their ion forms, and that the interaction of the component pair HCl-MCln in the aqueous solution is very weak as compared with the component pairs HCl-H2O and H2 O-MCln. The interchange energies of the component pairs in the discussed systems, ωWCl-H2o, ωH2o-NiCl2,ωH2o-CuCl2, ωH2o-NaCl and ωH2O-FeCl3, have been evaluated from the experimental data to be-69800, -212600, -90550, -42450 and -198310J·mol-1.
