Understanding the solubility of supercritical CO_(2)and its mixtures with other fluids at various temperatures and pressures conditions is critical for their applications,such as extraction processes,material design,a...Understanding the solubility of supercritical CO_(2)and its mixtures with other fluids at various temperatures and pressures conditions is critical for their applications,such as extraction processes,material design,and carbon capture.In the present study,the solubility parameters of supercritical CO_(2),H_(2)O,and their mixtures were calculated by molecular dynamics simulations.The results show that the solubility parameters decrease with increasing temperature and increase with increasing pressure and are linearly proportional to the density.Furthermore,the intermolecular interactions,including the hydrogen bonds,significantly affect the solubility parameter of the CO_(2)-H_(2)O system.展开更多
The shear behavior of rock joints is important in solving practical problems of rock mechanics. Three group rock joints with different morphologies are made by cement mortar material and a series of CNL(constant norma...The shear behavior of rock joints is important in solving practical problems of rock mechanics. Three group rock joints with different morphologies are made by cement mortar material and a series of CNL(constant normal loading) shear tests are performed. The influences of the applied normal stress and joint morphology to its shear strength are analyzed. According to the experimental results, the peak dilatancy angle of rock joint decreases with increasing normal stress, but increases with increasing roughness. The shear strength increases with the increasing normal stress and the roughness of rock joint. It is observed that the modes of failure of asperities are tensile, pure shear, or a combination of both. It is suggested that the three-dimensional roughness parameters and the tensile strength are the appropriate parameter for describing the shear strength criterion. A new peak shear criterion is proposed which can be used to predict peak shear strength of rock joints. All the used parameters can be easily obtained by performing tests.展开更多
The performance of four formulated solvents(labeled as UDS-I, UDS-II, UDS-III, and UDS-IV) for removing methyl mercaptan from liquefied petroleum gas was predicted based on a two-dimensional solubility parameter theor...The performance of four formulated solvents(labeled as UDS-I, UDS-II, UDS-III, and UDS-IV) for removing methyl mercaptan from liquefied petroleum gas was predicted based on a two-dimensional solubility parameter theory. The calculation results show that UDS-IV has the closest solubility parameter to that of methyl mercaptan as compared with other tested solvents, indicating the strongest affinity and the highest solubility for methyl mercaptan. The industrial tests at a plant for desulfurization of LPG produced from the delayed coker have shown that the UDS solvents have the excellent performance for removal of organosulfur compounds(mainly methyl mercaptan). Although the sulfur loading dramatically increases, the total sulfur content of LPG treated with UDS-IV can be reduced by about 50% in comparison with N-methyl diethanolamine. In addition, UDS-IV has superior regeneration performance and selectivity for sulfur compounds over hydrocarbons. The industrial test and the solubility parameter calculation results are in good agreement with each other.展开更多
The effects of two different hydrophilic additives and two solvents on the membrane morphological structure,permeability property and anti-fouling performances of cellulose acetate(CA) ultrafiltration membranes were i...The effects of two different hydrophilic additives and two solvents on the membrane morphological structure,permeability property and anti-fouling performances of cellulose acetate(CA) ultrafiltration membranes were investigated. During the phase-inversion process, cellulose acetate was selected as a membrane forming polymer; polyethylene glycol(PEG) and polyvinyl pyrrolidone(PVP) were used as additives; acetone(Ac): N,N-Dimethylacetamide(DMAc) and N, N-Dimethylformamide(DMF) were used as solvents; and deionized(DI)water was used in the coagulation bath. All the prepared membranes were characterized in terms of hydraulic permeability(Pm), membrane resistance, average pore radius, and hydrophilicity. The top surface and crosssectional view of the prepared membranes were also observed by using field emission scanning electron microscopy. Membrane fouling and rejection experimentations were done using a stirred batch-cell filtration set-up.The experimental studies of fouling/rinsing cycles, rejection, and permeate fluxes were used to investigate the effect of PEG and PVP additives and effect of the two solvents on the fabricated membranes using bovine serum albumin(BSA) as a model protein.展开更多
In this work, some chemometrics methods are applied for the modeling and prediction of the Hildebrand solubility parameter of some polymers. A genetic algorithm （GA） method is designed for the selection of variables...In this work, some chemometrics methods are applied for the modeling and prediction of the Hildebrand solubility parameter of some polymers. A genetic algorithm （GA） method is designed for the selection of variables to construct two models using the multiple linear regression （MLR） and least square-support vector machine （LS-SVM） methods in order to predict the Hildebrand solubility parameter. The MLR method is used to build a linear relationship between the molecular descriptors and the Hildebrand solubility parameter for these compounds. Then the LS-SVM method is utilized to construct the non-linear quantitative structure-activity relationship （QSAR） models. The results obtained using the LS-SVM method are then compared with those obtained for the MLR method; it was revealed that the LS-SVM model was much better than the MLR one. The root-mean-square errors of the training set and the test set for the LS-SVM model were 0.2912 and 0.2427, and the correlation coefficients were 0.9662 and 0.9518, respectively. This paper provides a new and effective method for predicting the Hildebrand solubility parameter for some polymers, and also reveals that the LS-SVM method can be used as a powerful chemometrics tool for the quantitative structure-property relationship （QSPR） studies.展开更多
The Hansen solubility parameters(HSP)are frequently used for solvent selection and characterization of polymers,and are directly related to the suspension behavior of pigments in solvent mixtures.The performance of cu...The Hansen solubility parameters(HSP)are frequently used for solvent selection and characterization of polymers,and are directly related to the suspension behavior of pigments in solvent mixtures.The performance of currently available group contribution(GC)methods for HSP were evaluated and found to be insufficient for computer-aided product design(CAPD)of paints and coatings.A revised and,for this purpose,improved GC method is presented for estimating HSP of organic compounds,intended for organic pigments.Due to the significant limitations of GC methods,an uncertainty analysis and parameter confidence intervals are provided in order to better quantify the estimation accuracy of the proposed approach.Compared to other applicable GC methods,the prediction error is reduced significantly with average absolute errors of 0.45 MPa^(1/2),1.35 MPa^(1/2),and 1.09 MPa^(1/2) for the partial dispersion(δD),polar(δP)and hydrogen-bonding(δH)solubility parameters respectively for a database of 1106 compounds.The performance for organic pigments is comparable to the overall method performance,with higher average errors forδD and lower average errors forδP andδH.展开更多
A partition function and a complete thermodynamic description for pure polymer fluids have been investigated based on a self-avoid-walk lattice model. Caused by the introduction of Gibbs distribution into the Flory-Hu...A partition function and a complete thermodynamic description for pure polymer fluids have been investigated based on a self-avoid-walk lattice model. Caused by the introduction of Gibbs distribution into the Flory-Huggins theory, the partition function and the thermodynamic description depicted their dependence on temperature well. In the present study, we applied the theory to calculate polymer solubility parameters. The polymer solubility parameters predicted by our theory are well consistent with the experiment values.展开更多
Natural gas is widely regarded as an efficient,relatively clean,and economically viable energy source.Its safe operation and continuous supply through pipeline infrastructure has led to its prominence in the energy se...Natural gas is widely regarded as an efficient,relatively clean,and economically viable energy source.Its safe operation and continuous supply through pipeline infrastructure has led to its prominence in the energy sector.Methanol plays an important role in the natural gas industry,typically serving as a solvent or hydrate inhibitor.Therefore,the accurate estimation of thermodynamic properties for methane/methanol binary is extremely important to optimise the operating parameter,maximise the dehydration effect,and reduce the cost.As the Helmholtz energy equation of state is expected to offer high accuracy in predicting the vapour-liquid equilibrium of methane/methanol binary,four reducing parameters were derived based on collected experimental data.Additionally,the sensitivities of various reducing parameter combinations were simultaneously investigated.The results demonstrated a strong agreement between predicted fractions and experimental data,with the UMADs(uncertainty-weighted mean absolute deviation)of 3.484 and 0.665 for liquid and vapour phases,respectively.Meanwhile,it is deemed“very likely”,“likely”,and“unlikely”to achieve acceptable prediction for 3-parameter optimisation,2-parameter optimisation and,1-parameter optimisation,respectively.展开更多
Based on a modified van der Waals model, in which the excluded volume is expressed as a linear function of density, the internal pressure and the physical contribution of two - dimensional solubility parameter suggest...Based on a modified van der Waals model, in which the excluded volume is expressed as a linear function of density, the internal pressure and the physical contribution of two - dimensional solubility parameter suggested by Bagley et al. can be expressed as functions of density and a size dependent parameter A. A group contribution method for estimating parameter A and then the solubility parameter has been developed. Average relative deviation of the predicted solubility parameters in comparison will the experimental values for more than sixty liquids including non- polar and polar species as well as those with strong hydrogen bonding is 0.8%. Further correlation with topological indices of molecules makes this method applicable to various isomers of saturated alkanes. Average relative deviation of prediction for 34 saturated alkanes is only 0.6%.展开更多
A two-layer mathematical model proposed by Tong et al. （2010） was used to predict soluble chemical transfer from soil into surface runoff with ponded water on the soil surface. Infiltration-related incomplete mixing...A two-layer mathematical model proposed by Tong et al. （2010） was used to predict soluble chemical transfer from soil into surface runoff with ponded water on the soil surface. Infiltration-related incomplete mixing parameter γ and runoff-related incomplete mixing parameter a in the analytical solution of the Tong et al. （2010） model were assumed to be constant. In this study, different laboratory experimental data of soluble chemical concentration in surface runoff from initially unsaturated and saturated soils were used to identify the variables γ and a based on the analytical solution of the model. The values of γ and a without occurrence of surface runoff were constant and equal to their values at the moment when the surface runoff started. It was determined from the results that γ decreases with the increase of the ponded water depth, and when the initial volumetric water content is closer to the saturated water content, there is less variation of parameter γ after the occurrence of surface runoff. As infiltration increases, the soluble chemical concentration in surface runoff decreases. The values of parameter a range from 0 to 1 for the fine loam and sand under the controlled infiltration conditions, while it can increase to a very large value, greater than 1, for the sand under the restrained infiltration conditions, and the analytical solution of the model is not valid for experimental soil without any infiltration if a is expected to be less than or equal to 1. The soluble chemical concentrations predicted from the model with variable incomplete mixing parameters γ and α are more accurate than those from the model with constant γ and α values.展开更多
Indonesian oil sands were systematically separated to investigate their basic composition.The extraction effects of the solvents with different Hilderbrand solubility parameters(HSPs)on the bitumen of Indonesian oil s...Indonesian oil sands were systematically separated to investigate their basic composition.The extraction effects of the solvents with different Hilderbrand solubility parameters(HSPs)on the bitumen of Indonesian oil sands were compared.Furthermore,the Hansen solubility combination parameter(HSCP)and Teas triangle were used to explore rules in the separation of oil sands bitumen via solvent extraction.Finally,the saturates,aromatics,resins,and asphaltenes(SARA)fractions of the bitumen from Indonesian oil sands were analyzed.The results showed that the Indonesian oil sands were oil-wet with a bitumen content of 24.93%.The solvent extraction for bitumen could be accurately and conveniently selected based on the solubility parameter.When the HSPs of the extraction solvent were around 18–19 and the HSCPs were closer to a certain range(δ_(d)=17.5–18.0,δ_(p)=1–3.5,and δ_(h)=2–6),the extraction effect of bitumen from Indonesian oil sands improved,and the primary component affecting the extraction rate of bitumen were asphaltenes.展开更多
Gobi spans a large area of China,surpassing the combined expanse of mobile dunes and semi-fixed dunes.Its presence significantly influences the movement of sand and dust.However,the complex origins and diverse materia...Gobi spans a large area of China,surpassing the combined expanse of mobile dunes and semi-fixed dunes.Its presence significantly influences the movement of sand and dust.However,the complex origins and diverse materials constituting the Gobi result in notable differences in saltation processes across various Gobi surfaces.It is challenging to describe these processes according to a uniform morphology.Therefore,it becomes imperative to articulate surface characteristics through parameters such as the three-dimensional(3D)size and shape of gravel.Collecting morphology information for Gobi gravels is essential for studying its genesis and sand saltation.To enhance the efficiency and information yield of gravel parameter measurements,this study conducted field experiments in the Gobi region across Dunhuang City,Guazhou County,and Yumen City(administrated by Jiuquan City),Gansu Province,China in March 2023.A research framework and methodology for measuring 3D parameters of gravel using point cloud were developed,alongside improved calculation formulas for 3D parameters including gravel grain size,volume,flatness,roundness,sphericity,and equivalent grain size.Leveraging multi-view geometry technology for 3D reconstruction allowed for establishing an optimal data acquisition scheme characterized by high point cloud reconstruction efficiency and clear quality.Additionally,the proposed methodology incorporated point cloud clustering,segmentation,and filtering techniques to isolate individual gravel point clouds.Advanced point cloud algorithms,including the Oriented Bounding Box(OBB),point cloud slicing method,and point cloud triangulation,were then deployed to calculate the 3D parameters of individual gravels.These systematic processes allow precise and detailed characterization of individual gravels.For gravel grain size and volume,the correlation coefficients between point cloud and manual measurements all exceeded 0.9000,confirming the feasibility of the proposed methodology for measuring 3D parameters of individual gravels.The proposed workflow yields accurate calculations of relevant parameters for Gobi gravels,providing essential data support for subsequent studies on Gobi environments.展开更多
Magnesium matrix composites reinforced with AlN particles were fabricated by the powder metallurgy technique. The evolution of lattice constants and solid solubility levels of Al in α-Mg and the microstructure of Mg-...Magnesium matrix composites reinforced with AlN particles were fabricated by the powder metallurgy technique. The evolution of lattice constants and solid solubility levels of Al in α-Mg and the microstructure of Mg-Al/AlN composites were investigated in the present study. The results showed that the solid solubility of Al in α-Mg reached a relatively high level by the P/M process with a long time of milling. X-ray diffraction showed that the peaks of Mg phase clearly shifted to higher angles. The lattice constants and cell volume decreased significantly compared with those of standard Mg due to a significant amount of Al incorporated into α-Mg in the form of substitutional solid solution. The degree of lattice deformation decreased at a low sintering temperature and increased at higher sintering temperatures due to the presence of AlN. Microstructural characterization of the composites revealed a necklace distribution of AlN particles in the Mg matrix. Heat treatment led to precipitation of Mg17Al12 from the supersaturated α-Mg solid solution. The pre- cipitate exhibited granular and lath-shaped morphologies in Mg matrix and ftocculent precipitation around AlN particles.展开更多
Sometimes endometrial polyps,submucosal myomas,and endometrial cancer show similar findings under ultrasonography.The aim of this study was to assess the antidiastole value of blood flow parameters using three-dimensi...Sometimes endometrial polyps,submucosal myomas,and endometrial cancer show similar findings under ultrasonography.The aim of this study was to assess the antidiastole value of blood flow parameters using three-dimensional(3D)power Doppler ultrasonography angiography(PDA)between endometrial cancer and uterine parenchyma lumps.The data of the blood flow indices in 3D-PDA including the vascularization index(VI),flow index(FI),and vascularization flow index(VFI)in 40 patients with endometrial cancer and 41 patients with uterine parenchyma lumps(endometrial polyps and submucosal myomas)were retrospectively analysed and compared utilizing Virtual Organ Computer-aided AnaLysis(VOCAL)software.The results showed that all the blood flow parameters(VI,FI,VFI)were significantly higher in women with endometrial cancer than in those with uterine parenchyma lumps(P<0.001).The area under the curve of ROC of VI,FI,and VFI was 0.98,0.84,and 0.97,respectively.Thus,the best predictor of endometrial carcinoma was VI with a sensitivity of 97.0% and a specificity of 91.0%.The optimal cutoff value of VI was 4.06%.Our data demonstrated that all of the blood flow signal parameters(including VI,FI,and VFI)in 3D power Doppler ultrasonography had significant antidiastole values between endometrial cancer and uterine parenchyma lumps to assist clinicians in properly diagnosing patients.展开更多
It is important to calibrate micro-parameters for applying partied flow code(PFC)to study mechanical characteristics and failure mechanism of rock materials.Uniform design method is firstly adopted to determine the mi...It is important to calibrate micro-parameters for applying partied flow code(PFC)to study mechanical characteristics and failure mechanism of rock materials.Uniform design method is firstly adopted to determine the microscopic parameters of parallel-bonded particle model for three-dimensional discrete element particle flow code(PFC3D).Variation ranges of microscopic of the microscopic parameters are created by analyzing the effects of microscopic parameters on macroscopic parameters(elastic modulus E,Poisson ratio v,uniaxial compressive strengthσc,and ratio of crack initial stress to uniaxial compressive strengthσci/σc)in order to obtain the actual uniform design talbe.The calculation equations of the microscopic and macroscopic parameters of rock materials can be established by the actual uniform design table and the regression analysis and thus the PFC3D microscopic parameters can be quantitatively determined.The PFC3D simulated results of the intact and pre-cracked rock specimens under uniaxial and triaxial compressions(including the macroscopic mechanical parameters,stress−strain curves and failure process)are in good agreement with experimental results,which can prove the validity of the calculation equations of microscopic and macroscopic parameters.展开更多
This paper conducts a trade-off between efficiency and accuracy of three-dimensional(3 D)shape measurement based on the triangulation principle,and introduces a flying and precise 3 D shape measurement method based on...This paper conducts a trade-off between efficiency and accuracy of three-dimensional(3 D)shape measurement based on the triangulation principle,and introduces a flying and precise 3 D shape measurement method based on multiple parallel line lasers.Firstly,we establish the measurement model of the multiple parallel line lasers system,and introduce the concept that multiple base planes can help to deduce the unified formula of the measurement system and are used in simplifying the process of the calibration.Then,the constraint of the line spatial frequency,which maximizes the measurement efficiency while ensuring accuracy,is determined according to the height distribution of the object.Secondly,the simulation analyzing the variation of the systemic resolution quantitatively under the circumstance of a set of specific parameters is performed,which provides a fundamental thesis for option of the four system parameters.Thirdly,for the application of the precision measurement in the industrial field,additional profiles are acquired to improve the lateral resolution by applying a motor to scan the 3 D surface.Finally,compared with the line laser,the experimental study shows that the present method of obtaining 41220 points per frame improves the measurement efficiency.Furthermore,the accuracy and the process of the calibration are advanced in comparison with the existing multiple-line laser and the structured light makes an accuracy better than 0.22 mm at a distance of 956.02 mm.展开更多
Three-dimensional sand printing(3DSP)is widely applied in sand mold fabrication.In this study,the effects of printing parameters including the resolution of printehead holes,activator content,layer thickness,and recoa...Three-dimensional sand printing(3DSP)is widely applied in sand mold fabrication.In this study,the effects of printing parameters including the resolution of printehead holes,activator content,layer thickness,and recoating speed on the tensile and bending strengths,gas evolution,and loss-on-ignition(LOI)of 3DSP samples were investigated by changing single parameter,and the dimension deviation was also measured.As the resolution increases,the tensile strength,bending strength,gas evolution,LOI,and deviations at X-and Y-axis directions decrease gradually while the deviation at Z-axis direction firstly increases and then deceases.The gas evolution and LOI drops by 13.02%and 8.13%respectively,but the strength only reduces by 2.2% when the resolution increases from 0.08 mm to 0.09 mm.The strengths of samples rise at first and then decline while the gas evolution and LOI rise gradually with the increasing activator content or recoating speed.The activator content is found to have little effect on the gas evolution as the activator increases from 0.14%to 0.34%,the gas evolution is increased by 7.3%which is far less than the LOI increment of 24.1%.As the layer thickness increases,the tensile and bending strengths firstly rise and then drop while gas evolution and LOI descend.Under the optimal printing parameters of 0.09 mm resolution,0.18%activator,-10.28 mm layer thickness and 160 mm·s^(-1) recoating speed,the tensile strengths for X-sample and Y-sample are 1.48 MPa and 1.37 MPa,the bending strengths are 1.84 MPa and 1.75 MPa,the gas evolution and LOI are-19.62 mL·g^(-1) and 1.92%,respectively.展开更多
In this paper, the axial-flux permanent magnet driver is modeledand analyzed in a simple and novel way under three-dimensional cylindricalcoordinates. The inherent three-dimensional characteristics of the deviceare co...In this paper, the axial-flux permanent magnet driver is modeledand analyzed in a simple and novel way under three-dimensional cylindricalcoordinates. The inherent three-dimensional characteristics of the deviceare comprehensively considered, and the governing equations are solved bysimplifying the boundary conditions. The axial magnetization of the sectorshapedpermanent magnets is accurately described in an algebraic form bythe parameters, which makes the physical meaning more explicit than thepurely mathematical expression in general series forms. The parameters of theBessel function are determined simply and the magnetic field distribution ofpermanent magnets and the air-gap is solved. Furthermore, the field solutionsare completely analytical, which provides convenience and satisfactoryaccuracy for modeling a series of electromagnetic performance parameters,such as the axial electromagnetic force density, axial electromagnetic force,and electromagnetic torque. The correctness and accuracy of the analyticalmodels are fully verified by three-dimensional finite element simulations and a15 kW prototype and the results of calculations, simulations, and experimentsunder three methods are highly consistent. The influence of several designparameters on magnetic field distribution and performance is studied and discussed.The results indicate that the modeling method proposed in this papercan calculate the magnetic field distribution and performance accurately andrapidly, which affords an important reference for the design and optimizationof axial-flux permanent magnet drivers.展开更多
A thermodynamic model was developed to calculate the hydrogen solubility in molten alloys based on the hydrogen solubility in constitutional pure liquid metals and their interaction parameters. The calculated results ...A thermodynamic model was developed to calculate the hydrogen solubility in molten alloys based on the hydrogen solubility in constitutional pure liquid metals and their interaction parameters. The calculated results have a good agreement with the documented experimental results. The closer the molten alloy to an ideal liquid is, the more accurate the calculated results are. The compound forming ability and molar mixing heat of the constitutional elements take important roles in influencing the hydrogen solubility in molten alloys.展开更多
基金supported by the National Key Research and Development Program of China(Grant No.2019YFE0117200)the National Natural Science Foundation of China(Grant No.41977304).
文摘Understanding the solubility of supercritical CO_(2)and its mixtures with other fluids at various temperatures and pressures conditions is critical for their applications,such as extraction processes,material design,and carbon capture.In the present study,the solubility parameters of supercritical CO_(2),H_(2)O,and their mixtures were calculated by molecular dynamics simulations.The results show that the solubility parameters decrease with increasing temperature and increase with increasing pressure and are linearly proportional to the density.Furthermore,the intermolecular interactions,including the hydrogen bonds,significantly affect the solubility parameter of the CO_(2)-H_(2)O system.
基金Project(41130742)supported by the Key Program of National Natural Science Foundation of ChinaProject(2014CB046904)supportedby the National Basic Research Program of China+1 种基金Project(2011CDA119)supported by Natural Science Foundation of Hubei Province,ChinaProject(40972178)supported by the General Program of National Natural Science Foundation of China
文摘The shear behavior of rock joints is important in solving practical problems of rock mechanics. Three group rock joints with different morphologies are made by cement mortar material and a series of CNL(constant normal loading) shear tests are performed. The influences of the applied normal stress and joint morphology to its shear strength are analyzed. According to the experimental results, the peak dilatancy angle of rock joint decreases with increasing normal stress, but increases with increasing roughness. The shear strength increases with the increasing normal stress and the roughness of rock joint. It is observed that the modes of failure of asperities are tensile, pure shear, or a combination of both. It is suggested that the three-dimensional roughness parameters and the tensile strength are the appropriate parameter for describing the shear strength criterion. A new peak shear criterion is proposed which can be used to predict peak shear strength of rock joints. All the used parameters can be easily obtained by performing tests.
基金the financial support from the National Key Science and Technology Project of China (2011ZX05017-005)
文摘The performance of four formulated solvents(labeled as UDS-I, UDS-II, UDS-III, and UDS-IV) for removing methyl mercaptan from liquefied petroleum gas was predicted based on a two-dimensional solubility parameter theory. The calculation results show that UDS-IV has the closest solubility parameter to that of methyl mercaptan as compared with other tested solvents, indicating the strongest affinity and the highest solubility for methyl mercaptan. The industrial tests at a plant for desulfurization of LPG produced from the delayed coker have shown that the UDS solvents have the excellent performance for removal of organosulfur compounds(mainly methyl mercaptan). Although the sulfur loading dramatically increases, the total sulfur content of LPG treated with UDS-IV can be reduced by about 50% in comparison with N-methyl diethanolamine. In addition, UDS-IV has superior regeneration performance and selectivity for sulfur compounds over hydrocarbons. The industrial test and the solubility parameter calculation results are in good agreement with each other.
文摘The effects of two different hydrophilic additives and two solvents on the membrane morphological structure,permeability property and anti-fouling performances of cellulose acetate(CA) ultrafiltration membranes were investigated. During the phase-inversion process, cellulose acetate was selected as a membrane forming polymer; polyethylene glycol(PEG) and polyvinyl pyrrolidone(PVP) were used as additives; acetone(Ac): N,N-Dimethylacetamide(DMAc) and N, N-Dimethylformamide(DMF) were used as solvents; and deionized(DI)water was used in the coagulation bath. All the prepared membranes were characterized in terms of hydraulic permeability(Pm), membrane resistance, average pore radius, and hydrophilicity. The top surface and crosssectional view of the prepared membranes were also observed by using field emission scanning electron microscopy. Membrane fouling and rejection experimentations were done using a stirred batch-cell filtration set-up.The experimental studies of fouling/rinsing cycles, rejection, and permeate fluxes were used to investigate the effect of PEG and PVP additives and effect of the two solvents on the fabricated membranes using bovine serum albumin(BSA) as a model protein.
文摘In this work, some chemometrics methods are applied for the modeling and prediction of the Hildebrand solubility parameter of some polymers. A genetic algorithm （GA） method is designed for the selection of variables to construct two models using the multiple linear regression （MLR） and least square-support vector machine （LS-SVM） methods in order to predict the Hildebrand solubility parameter. The MLR method is used to build a linear relationship between the molecular descriptors and the Hildebrand solubility parameter for these compounds. Then the LS-SVM method is utilized to construct the non-linear quantitative structure-activity relationship （QSAR） models. The results obtained using the LS-SVM method are then compared with those obtained for the MLR method; it was revealed that the LS-SVM model was much better than the MLR one. The root-mean-square errors of the training set and the test set for the LS-SVM model were 0.2912 and 0.2427, and the correlation coefficients were 0.9662 and 0.9518, respectively. This paper provides a new and effective method for predicting the Hildebrand solubility parameter for some polymers, and also reveals that the LS-SVM method can be used as a powerful chemometrics tool for the quantitative structure-property relationship （QSPR） studies.
基金Financial support from the Sino-Danish Center for Education and Research(SDC)the Hempel Foundation to CoaST(The Hempel Foundation Coatings Science and Technology Centre)Hempel A/S。
文摘The Hansen solubility parameters(HSP)are frequently used for solvent selection and characterization of polymers,and are directly related to the suspension behavior of pigments in solvent mixtures.The performance of currently available group contribution(GC)methods for HSP were evaluated and found to be insufficient for computer-aided product design(CAPD)of paints and coatings.A revised and,for this purpose,improved GC method is presented for estimating HSP of organic compounds,intended for organic pigments.Due to the significant limitations of GC methods,an uncertainty analysis and parameter confidence intervals are provided in order to better quantify the estimation accuracy of the proposed approach.Compared to other applicable GC methods,the prediction error is reduced significantly with average absolute errors of 0.45 MPa^(1/2),1.35 MPa^(1/2),and 1.09 MPa^(1/2) for the partial dispersion(δD),polar(δP)and hydrogen-bonding(δH)solubility parameters respectively for a database of 1106 compounds.The performance for organic pigments is comparable to the overall method performance,with higher average errors forδD and lower average errors forδP andδH.
文摘A partition function and a complete thermodynamic description for pure polymer fluids have been investigated based on a self-avoid-walk lattice model. Caused by the introduction of Gibbs distribution into the Flory-Huggins theory, the partition function and the thermodynamic description depicted their dependence on temperature well. In the present study, we applied the theory to calculate polymer solubility parameters. The polymer solubility parameters predicted by our theory are well consistent with the experiment values.
基金supported financially by the National Natural Science Foundation of China(52202434)the National Natural Science Foundation of Ningbo(2023J275).
文摘Natural gas is widely regarded as an efficient,relatively clean,and economically viable energy source.Its safe operation and continuous supply through pipeline infrastructure has led to its prominence in the energy sector.Methanol plays an important role in the natural gas industry,typically serving as a solvent or hydrate inhibitor.Therefore,the accurate estimation of thermodynamic properties for methane/methanol binary is extremely important to optimise the operating parameter,maximise the dehydration effect,and reduce the cost.As the Helmholtz energy equation of state is expected to offer high accuracy in predicting the vapour-liquid equilibrium of methane/methanol binary,four reducing parameters were derived based on collected experimental data.Additionally,the sensitivities of various reducing parameter combinations were simultaneously investigated.The results demonstrated a strong agreement between predicted fractions and experimental data,with the UMADs(uncertainty-weighted mean absolute deviation)of 3.484 and 0.665 for liquid and vapour phases,respectively.Meanwhile,it is deemed“very likely”,“likely”,and“unlikely”to achieve acceptable prediction for 3-parameter optimisation,2-parameter optimisation and,1-parameter optimisation,respectively.
文摘Based on a modified van der Waals model, in which the excluded volume is expressed as a linear function of density, the internal pressure and the physical contribution of two - dimensional solubility parameter suggested by Bagley et al. can be expressed as functions of density and a size dependent parameter A. A group contribution method for estimating parameter A and then the solubility parameter has been developed. Average relative deviation of the predicted solubility parameters in comparison will the experimental values for more than sixty liquids including non- polar and polar species as well as those with strong hydrogen bonding is 0.8%. Further correlation with topological indices of molecules makes this method applicable to various isomers of saturated alkanes. Average relative deviation of prediction for 34 saturated alkanes is only 0.6%.
基金supported by the Open Foundation of the State Key Laboratory of Water Resources and Hydropower Engineering Science,Wuhan University(Grant No.2013B108)the National Natural Science Foundation of China(Grant No.51209187)+1 种基金the Fundamental Research Fund for the Central Universities(Grant No.2652011286)the Beijing Higher Education Young Elite Teacher Project(Grant No.YETP0653)
文摘A two-layer mathematical model proposed by Tong et al. （2010） was used to predict soluble chemical transfer from soil into surface runoff with ponded water on the soil surface. Infiltration-related incomplete mixing parameter γ and runoff-related incomplete mixing parameter a in the analytical solution of the Tong et al. （2010） model were assumed to be constant. In this study, different laboratory experimental data of soluble chemical concentration in surface runoff from initially unsaturated and saturated soils were used to identify the variables γ and a based on the analytical solution of the model. The values of γ and a without occurrence of surface runoff were constant and equal to their values at the moment when the surface runoff started. It was determined from the results that γ decreases with the increase of the ponded water depth, and when the initial volumetric water content is closer to the saturated water content, there is less variation of parameter γ after the occurrence of surface runoff. As infiltration increases, the soluble chemical concentration in surface runoff decreases. The values of parameter a range from 0 to 1 for the fine loam and sand under the controlled infiltration conditions, while it can increase to a very large value, greater than 1, for the sand under the restrained infiltration conditions, and the analytical solution of the model is not valid for experimental soil without any infiltration if a is expected to be less than or equal to 1. The soluble chemical concentrations predicted from the model with variable incomplete mixing parameters γ and α are more accurate than those from the model with constant γ and α values.
基金supported by the Natural Science Foundation of Jiangsu Province(Grant number:BK20140260)Joint Project of Industry-University-Research of Jiangsu Province(Grant number:BY2018158,BY2021590)State Key Laboratory of Heavy Oil Processing.
文摘Indonesian oil sands were systematically separated to investigate their basic composition.The extraction effects of the solvents with different Hilderbrand solubility parameters(HSPs)on the bitumen of Indonesian oil sands were compared.Furthermore,the Hansen solubility combination parameter(HSCP)and Teas triangle were used to explore rules in the separation of oil sands bitumen via solvent extraction.Finally,the saturates,aromatics,resins,and asphaltenes(SARA)fractions of the bitumen from Indonesian oil sands were analyzed.The results showed that the Indonesian oil sands were oil-wet with a bitumen content of 24.93%.The solvent extraction for bitumen could be accurately and conveniently selected based on the solubility parameter.When the HSPs of the extraction solvent were around 18–19 and the HSCPs were closer to a certain range(δ_(d)=17.5–18.0,δ_(p)=1–3.5,and δ_(h)=2–6),the extraction effect of bitumen from Indonesian oil sands improved,and the primary component affecting the extraction rate of bitumen were asphaltenes.
基金funded by the National Natural Science Foundation of China(42071014).
文摘Gobi spans a large area of China,surpassing the combined expanse of mobile dunes and semi-fixed dunes.Its presence significantly influences the movement of sand and dust.However,the complex origins and diverse materials constituting the Gobi result in notable differences in saltation processes across various Gobi surfaces.It is challenging to describe these processes according to a uniform morphology.Therefore,it becomes imperative to articulate surface characteristics through parameters such as the three-dimensional(3D)size and shape of gravel.Collecting morphology information for Gobi gravels is essential for studying its genesis and sand saltation.To enhance the efficiency and information yield of gravel parameter measurements,this study conducted field experiments in the Gobi region across Dunhuang City,Guazhou County,and Yumen City(administrated by Jiuquan City),Gansu Province,China in March 2023.A research framework and methodology for measuring 3D parameters of gravel using point cloud were developed,alongside improved calculation formulas for 3D parameters including gravel grain size,volume,flatness,roundness,sphericity,and equivalent grain size.Leveraging multi-view geometry technology for 3D reconstruction allowed for establishing an optimal data acquisition scheme characterized by high point cloud reconstruction efficiency and clear quality.Additionally,the proposed methodology incorporated point cloud clustering,segmentation,and filtering techniques to isolate individual gravel point clouds.Advanced point cloud algorithms,including the Oriented Bounding Box(OBB),point cloud slicing method,and point cloud triangulation,were then deployed to calculate the 3D parameters of individual gravels.These systematic processes allow precise and detailed characterization of individual gravels.For gravel grain size and volume,the correlation coefficients between point cloud and manual measurements all exceeded 0.9000,confirming the feasibility of the proposed methodology for measuring 3D parameters of individual gravels.The proposed workflow yields accurate calculations of relevant parameters for Gobi gravels,providing essential data support for subsequent studies on Gobi environments.
文摘Magnesium matrix composites reinforced with AlN particles were fabricated by the powder metallurgy technique. The evolution of lattice constants and solid solubility levels of Al in α-Mg and the microstructure of Mg-Al/AlN composites were investigated in the present study. The results showed that the solid solubility of Al in α-Mg reached a relatively high level by the P/M process with a long time of milling. X-ray diffraction showed that the peaks of Mg phase clearly shifted to higher angles. The lattice constants and cell volume decreased significantly compared with those of standard Mg due to a significant amount of Al incorporated into α-Mg in the form of substitutional solid solution. The degree of lattice deformation decreased at a low sintering temperature and increased at higher sintering temperatures due to the presence of AlN. Microstructural characterization of the composites revealed a necklace distribution of AlN particles in the Mg matrix. Heat treatment led to precipitation of Mg17Al12 from the supersaturated α-Mg solid solution. The pre- cipitate exhibited granular and lath-shaped morphologies in Mg matrix and ftocculent precipitation around AlN particles.
基金This research was supported by grants from the National Natural Science Foundation of China(No.81501530)Hubei Province Health and Family Planning Scientific Research Project(No.WJ2019M130).
文摘Sometimes endometrial polyps,submucosal myomas,and endometrial cancer show similar findings under ultrasonography.The aim of this study was to assess the antidiastole value of blood flow parameters using three-dimensional(3D)power Doppler ultrasonography angiography(PDA)between endometrial cancer and uterine parenchyma lumps.The data of the blood flow indices in 3D-PDA including the vascularization index(VI),flow index(FI),and vascularization flow index(VFI)in 40 patients with endometrial cancer and 41 patients with uterine parenchyma lumps(endometrial polyps and submucosal myomas)were retrospectively analysed and compared utilizing Virtual Organ Computer-aided AnaLysis(VOCAL)software.The results showed that all the blood flow parameters(VI,FI,VFI)were significantly higher in women with endometrial cancer than in those with uterine parenchyma lumps(P<0.001).The area under the curve of ROC of VI,FI,and VFI was 0.98,0.84,and 0.97,respectively.Thus,the best predictor of endometrial carcinoma was VI with a sensitivity of 97.0% and a specificity of 91.0%.The optimal cutoff value of VI was 4.06%.Our data demonstrated that all of the blood flow signal parameters(including VI,FI,and VFI)in 3D power Doppler ultrasonography had significant antidiastole values between endometrial cancer and uterine parenchyma lumps to assist clinicians in properly diagnosing patients.
基金Projects(51474251,51874351)supported by the National Natural Science Foundation,China。
文摘It is important to calibrate micro-parameters for applying partied flow code(PFC)to study mechanical characteristics and failure mechanism of rock materials.Uniform design method is firstly adopted to determine the microscopic parameters of parallel-bonded particle model for three-dimensional discrete element particle flow code(PFC3D).Variation ranges of microscopic of the microscopic parameters are created by analyzing the effects of microscopic parameters on macroscopic parameters(elastic modulus E,Poisson ratio v,uniaxial compressive strengthσc,and ratio of crack initial stress to uniaxial compressive strengthσci/σc)in order to obtain the actual uniform design talbe.The calculation equations of the microscopic and macroscopic parameters of rock materials can be established by the actual uniform design table and the regression analysis and thus the PFC3D microscopic parameters can be quantitatively determined.The PFC3D simulated results of the intact and pre-cracked rock specimens under uniaxial and triaxial compressions(including the macroscopic mechanical parameters,stress−strain curves and failure process)are in good agreement with experimental results,which can prove the validity of the calculation equations of microscopic and macroscopic parameters.
文摘This paper conducts a trade-off between efficiency and accuracy of three-dimensional(3 D)shape measurement based on the triangulation principle,and introduces a flying and precise 3 D shape measurement method based on multiple parallel line lasers.Firstly,we establish the measurement model of the multiple parallel line lasers system,and introduce the concept that multiple base planes can help to deduce the unified formula of the measurement system and are used in simplifying the process of the calibration.Then,the constraint of the line spatial frequency,which maximizes the measurement efficiency while ensuring accuracy,is determined according to the height distribution of the object.Secondly,the simulation analyzing the variation of the systemic resolution quantitatively under the circumstance of a set of specific parameters is performed,which provides a fundamental thesis for option of the four system parameters.Thirdly,for the application of the precision measurement in the industrial field,additional profiles are acquired to improve the lateral resolution by applying a motor to scan the 3 D surface.Finally,compared with the line laser,the experimental study shows that the present method of obtaining 41220 points per frame improves the measurement efficiency.Furthermore,the accuracy and the process of the calibration are advanced in comparison with the existing multiple-line laser and the structured light makes an accuracy better than 0.22 mm at a distance of 956.02 mm.
基金The study was supported by the National Natural Science Foundation of China(No.51975165).
文摘Three-dimensional sand printing(3DSP)is widely applied in sand mold fabrication.In this study,the effects of printing parameters including the resolution of printehead holes,activator content,layer thickness,and recoating speed on the tensile and bending strengths,gas evolution,and loss-on-ignition(LOI)of 3DSP samples were investigated by changing single parameter,and the dimension deviation was also measured.As the resolution increases,the tensile strength,bending strength,gas evolution,LOI,and deviations at X-and Y-axis directions decrease gradually while the deviation at Z-axis direction firstly increases and then deceases.The gas evolution and LOI drops by 13.02%and 8.13%respectively,but the strength only reduces by 2.2% when the resolution increases from 0.08 mm to 0.09 mm.The strengths of samples rise at first and then decline while the gas evolution and LOI rise gradually with the increasing activator content or recoating speed.The activator content is found to have little effect on the gas evolution as the activator increases from 0.14%to 0.34%,the gas evolution is increased by 7.3%which is far less than the LOI increment of 24.1%.As the layer thickness increases,the tensile and bending strengths firstly rise and then drop while gas evolution and LOI descend.Under the optimal printing parameters of 0.09 mm resolution,0.18%activator,-10.28 mm layer thickness and 160 mm·s^(-1) recoating speed,the tensile strengths for X-sample and Y-sample are 1.48 MPa and 1.37 MPa,the bending strengths are 1.84 MPa and 1.75 MPa,the gas evolution and LOI are-19.62 mL·g^(-1) and 1.92%,respectively.
基金supported by the National Natural Science Foundation of China under Grant[52077027]Liaoning Province Science and Technology Major Project[No.2020JH1/10100020].
文摘In this paper, the axial-flux permanent magnet driver is modeledand analyzed in a simple and novel way under three-dimensional cylindricalcoordinates. The inherent three-dimensional characteristics of the deviceare comprehensively considered, and the governing equations are solved bysimplifying the boundary conditions. The axial magnetization of the sectorshapedpermanent magnets is accurately described in an algebraic form bythe parameters, which makes the physical meaning more explicit than thepurely mathematical expression in general series forms. The parameters of theBessel function are determined simply and the magnetic field distribution ofpermanent magnets and the air-gap is solved. Furthermore, the field solutionsare completely analytical, which provides convenience and satisfactoryaccuracy for modeling a series of electromagnetic performance parameters,such as the axial electromagnetic force density, axial electromagnetic force,and electromagnetic torque. The correctness and accuracy of the analyticalmodels are fully verified by three-dimensional finite element simulations and a15 kW prototype and the results of calculations, simulations, and experimentsunder three methods are highly consistent. The influence of several designparameters on magnetic field distribution and performance is studied and discussed.The results indicate that the modeling method proposed in this papercan calculate the magnetic field distribution and performance accurately andrapidly, which affords an important reference for the design and optimizationof axial-flux permanent magnet drivers.
基金Project (U0837603) supported by Joint Grant of National Natural Science Foundation and Yunnan Province, China Project (2092017) supported by the Beijing Natural Science Foundation, China
文摘A thermodynamic model was developed to calculate the hydrogen solubility in molten alloys based on the hydrogen solubility in constitutional pure liquid metals and their interaction parameters. The calculated results have a good agreement with the documented experimental results. The closer the molten alloy to an ideal liquid is, the more accurate the calculated results are. The compound forming ability and molar mixing heat of the constitutional elements take important roles in influencing the hydrogen solubility in molten alloys.
