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
The decomposition of plant materials in soil, along with the factors affecting it, has been frequently studied, and much information has been accumulated. Most reports indicated that the decomposition of organic mater...The decomposition of plant materials in soil, along with the factors affecting it, has been frequently studied, and much information has been accumulated. Most reports indicated that the decomposition of organic materials proceeded more slowly in paddy soil than in upland soil because of the insufficient 02 supply, the lower soil temperature and the weaker activity of aquatic invertebrates in the former as compared with those in展开更多
The quantum solitary wave solutions in a one-dimensional ferromagnetic chain is investigated by using theHartree-Fock approach and the multiple-scale method.It is shown that quantum solitary wave solutions can exist i...The quantum solitary wave solutions in a one-dimensional ferromagnetic chain is investigated by using theHartree-Fock approach and the multiple-scale method.It is shown that quantum solitary wave solutions can exist in aferromagnetic system with nearest-and next-nearest-neighbor exchange interaction,and at the certain value of the firstBrillouin zone,the solitary wave solution of the Hartree wave function becomes the intrinsic localized mode.展开更多
Exploring low-cost and highly active photocatalysts is very urgent to accomplish complete removal of phenolic contaminants and overcome the limitations of the existing photocatalysts.In this study,we designed and synt...Exploring low-cost and highly active photocatalysts is very urgent to accomplish complete removal of phenolic contaminants and overcome the limitations of the existing photocatalysts.In this study,we designed and synthesized noble metal-free TiO2 photocatalysts by introducing bismuth nanoparticles as modifiers of a TiO2 single crystal(Bi-SCTiO2).The Bi-SCTiO2 can make full use of the synergistic effect of a small band overlap and low charge carrier density(Bi)with a high conductivity(single crystal),significantly boosting the separation and migration of the photogenerated charge pairs.Therefore,the Bi-SCTiO2 photocatalyst exhibits a significantly enhanced degradation rate(12 times faster)of 4-nitrophenol than a TiO2 single crystal under simulated sunlight irradiation.Notably,the complete removal of phenolic contaminants is achieved in various water matrices,which not only successfully overcomes the incomplete degradation in many reported photocatalytic systems,but also manifests a significant practical potential for sewage disposal.Therefore,this work presents a new insight in designing and constructing noble metal-free decorated semiconductor single-crystal photocatalysts with excellent activity and cyclability.展开更多
Rotating bed can be used in desorption operation of biogas upgrading as a new technology. For enough time to desorb, it is important to study the relationship between the residence time of liquid in rotating bed and t...Rotating bed can be used in desorption operation of biogas upgrading as a new technology. For enough time to desorb, it is important to study the relationship between the residence time of liquid in rotating bed and the material diffusion time of liquid droplet in desorption process. By theoretical deduction, the exponential relation between residence time and liquid flow rate and rotational speed and kinematic viscosity is obtained. By analyzing the solution of nonlinear partial differential equation, the time law of material diffusion in the droplet is obtained. Moreover, by comparing the residence and diffusion times, the diffusion time can be within or out of residence time range, which has a direct relationship to rotational speed and liquid flow. By experiment, the comparison between residence and diffusion times is more realistic when the rotational speed is higher.展开更多
The single crystals of the title compound NH4+C4H5O6- (C4H9NO6, Mr = 167.1) were obtained from a hot aqueous solution containing L-glutamine and D,L-tartaric acid in mole ratio1:1.5. The crystal belongs to monoclinic ...The single crystals of the title compound NH4+C4H5O6- (C4H9NO6, Mr = 167.1) were obtained from a hot aqueous solution containing L-glutamine and D,L-tartaric acid in mole ratio1:1.5. The crystal belongs to monoclinic space group P21/c with a = 7.646(2), b = 7.804(2), c = 11.502(3)? ?= 102.26(2)o, V = 670.7(3)?, Z = 4, F(000) = 352, Dc = 1.655 g.cm-3, m(MoKa) = 0.16 mm-1, R = 0.035, wR = 0.094 for 1028 observed reflections (I>2s(I)). The enatiomeric anions of the tartrate with both (2S,3S)- and (2R,3R)-configuration co-exist in the unit cell. The carbon skeleton assumes a coplanar arrangement with a torsion angle of 181.5o. The three- dimensional H-bonding network exists in the crystal. While tartrate groups link each other by H-bonds between carboxyl and hydroxyl groups, the ammonium cations insert between the tartrate groups to form a sandwich-like crystal structure.展开更多
The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of sur...The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of surface tension and viscosity of common fluids and ionic liquids(ILs).A model of surface tension for multi-component mixtures is presented by combining the SWCF-VR EOS and the scaled particle theory and used to produce the surface tension of binary and ternary mixtures.The predicted surface tensions are in excellent agreement with the experimental data with an overall average absolute relative deviation(AAD)of 0.36%.A method for the calculation of dynamic viscosity of common fluids and ILs at high pressure is presented by combining Eyring’s rate theory of viscosity and the SWCF-VR EOS.The calculated viscosities are in good agreement with the experimental data with the overall AAD of 1.44% for 14 fluids in 84 cases.The salient feature is that the molecular parameters used in these models are self-consistent and can be applied to calculate different thermodynamic properties such as pVT,vapor-liquid equilibrium,caloric properties,surface tension,and viscosity.展开更多
Traditional Chinese medicines(TCMs)have been used to prevent and treat various diseases for thousands of years.Promoting efficacy and reducing toxicity by the compatibility theory of TCMs has attracted increasing atte...Traditional Chinese medicines(TCMs)have been used to prevent and treat various diseases for thousands of years.Promoting efficacy and reducing toxicity by the compatibility theory of TCMs has attracted increasing attention,especially for the toxicity of herbs.Studies have pointed out the interactions between the active compounds of herbs and transporters in the detoxification process of toxic compounds.Here,we summarize data on five toxic herbs commonly used in TCMs and their related efflux transporters to reduce toxicity to offer a scientific rationale for the compatibility principle of TCMs and provide guidance for the rational clinical use of TCMs.展开更多
Mg(OH)2 powders were formed by the decomposition of Mg3N2 powders synthesized by a simple reaction of Mg with N Ha. X-ray diffraction(XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron m...Mg(OH)2 powders were formed by the decomposition of Mg3N2 powders synthesized by a simple reaction of Mg with N Ha. X-ray diffraction(XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy(SEM) were used to study the structure, composition and morphology of the products. Mg (OH)2 nanowires with an average diameter about 300 nm-500 nm were found in these Mg(OH)2 powders.展开更多
Ionic liquids analogues known as Deep Eutectic Solvents (DESs) are gaining a surge of interest by the scientific community, and many applications involving DESs have been realized. Moisture content is one of the imp...Ionic liquids analogues known as Deep Eutectic Solvents (DESs) are gaining a surge of interest by the scientific community, and many applications involving DESs have been realized. Moisture content is one of the important factors that affects the physical and chemical characteristics of these fluids. In this work, the effect of mixing water with three common type III DESs on their viscosity was investigated within the water tool fraction range of (0-1) and at the temperature range (298.15-353.15 K). Similar trends of viscosity variation with respect to molar composition and temperature were observed for the three studied systems, Due to the asymmetric geometry of the constituting molecules in these fluids, their viscosity could not be modeled effectively by the conventional Grunberg and Nissan model, and the Fang-He model was used to address this issue with excellent performance. All studied aqueous DES mixtures showed negative deviation in viscosity as compared to ideal mixtures, The degree of intermolecular interactions with water reaches a maximum at a composition of 30% aqueous DES solution. Reline, the most studied DES in the literature, showed the highest deviation. The informa- tion presented in this work on the viscosity of aqueous DES solutions may serve in tuning this important property for diverse industrial applications involving these novel fluids in fluid flow, chemical reactions, liquid-liquid separation and many more.展开更多
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.
文摘The decomposition of plant materials in soil, along with the factors affecting it, has been frequently studied, and much information has been accumulated. Most reports indicated that the decomposition of organic materials proceeded more slowly in paddy soil than in upland soil because of the insufficient 02 supply, the lower soil temperature and the weaker activity of aquatic invertebrates in the former as compared with those in
基金supported by the Natural Science Foundation of Education Department of Hunan Province under Grant Nos.06C652 and 07C528National Natural Science Foundation of China under Grant No.10647132
文摘The quantum solitary wave solutions in a one-dimensional ferromagnetic chain is investigated by using theHartree-Fock approach and the multiple-scale method.It is shown that quantum solitary wave solutions can exist in aferromagnetic system with nearest-and next-nearest-neighbor exchange interaction,and at the certain value of the firstBrillouin zone,the solitary wave solution of the Hartree wave function becomes the intrinsic localized mode.
文摘Exploring low-cost and highly active photocatalysts is very urgent to accomplish complete removal of phenolic contaminants and overcome the limitations of the existing photocatalysts.In this study,we designed and synthesized noble metal-free TiO2 photocatalysts by introducing bismuth nanoparticles as modifiers of a TiO2 single crystal(Bi-SCTiO2).The Bi-SCTiO2 can make full use of the synergistic effect of a small band overlap and low charge carrier density(Bi)with a high conductivity(single crystal),significantly boosting the separation and migration of the photogenerated charge pairs.Therefore,the Bi-SCTiO2 photocatalyst exhibits a significantly enhanced degradation rate(12 times faster)of 4-nitrophenol than a TiO2 single crystal under simulated sunlight irradiation.Notably,the complete removal of phenolic contaminants is achieved in various water matrices,which not only successfully overcomes the incomplete degradation in many reported photocatalytic systems,but also manifests a significant practical potential for sewage disposal.Therefore,this work presents a new insight in designing and constructing noble metal-free decorated semiconductor single-crystal photocatalysts with excellent activity and cyclability.
基金Supported by the Special Scientific Research Fund of Agricultural Public Welfare Profession of China(201303099)
文摘Rotating bed can be used in desorption operation of biogas upgrading as a new technology. For enough time to desorb, it is important to study the relationship between the residence time of liquid in rotating bed and the material diffusion time of liquid droplet in desorption process. By theoretical deduction, the exponential relation between residence time and liquid flow rate and rotational speed and kinematic viscosity is obtained. By analyzing the solution of nonlinear partial differential equation, the time law of material diffusion in the droplet is obtained. Moreover, by comparing the residence and diffusion times, the diffusion time can be within or out of residence time range, which has a direct relationship to rotational speed and liquid flow. By experiment, the comparison between residence and diffusion times is more realistic when the rotational speed is higher.
文摘The single crystals of the title compound NH4+C4H5O6- (C4H9NO6, Mr = 167.1) were obtained from a hot aqueous solution containing L-glutamine and D,L-tartaric acid in mole ratio1:1.5. The crystal belongs to monoclinic space group P21/c with a = 7.646(2), b = 7.804(2), c = 11.502(3)? ?= 102.26(2)o, V = 670.7(3)?, Z = 4, F(000) = 352, Dc = 1.655 g.cm-3, m(MoKa) = 0.16 mm-1, R = 0.035, wR = 0.094 for 1028 observed reflections (I>2s(I)). The enatiomeric anions of the tartrate with both (2S,3S)- and (2R,3R)-configuration co-exist in the unit cell. The carbon skeleton assumes a coplanar arrangement with a torsion angle of 181.5o. The three- dimensional H-bonding network exists in the crystal. While tartrate groups link each other by H-bonds between carboxyl and hydroxyl groups, the ammonium cations insert between the tartrate groups to form a sandwich-like crystal structure.
基金Supported by the National Natural Science Foundation of China (20776040 20876041 20736002) the National Basic Research Program of China (2009CB219902)+1 种基金 the Program for Changjiang Scholars and Innovative Research Team in University of China (Grant IRT0721) the 111 Project (Grant B08021) of China
文摘The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of surface tension and viscosity of common fluids and ionic liquids(ILs).A model of surface tension for multi-component mixtures is presented by combining the SWCF-VR EOS and the scaled particle theory and used to produce the surface tension of binary and ternary mixtures.The predicted surface tensions are in excellent agreement with the experimental data with an overall average absolute relative deviation(AAD)of 0.36%.A method for the calculation of dynamic viscosity of common fluids and ILs at high pressure is presented by combining Eyring’s rate theory of viscosity and the SWCF-VR EOS.The calculated viscosities are in good agreement with the experimental data with the overall AAD of 1.44% for 14 fluids in 84 cases.The salient feature is that the molecular parameters used in these models are self-consistent and can be applied to calculate different thermodynamic properties such as pVT,vapor-liquid equilibrium,caloric properties,surface tension,and viscosity.
基金We thank for the funding support from the Science and Technology Development Fund,Macao SAR(No.0040/2020/A and No.0075/2019/AMJ).
文摘Traditional Chinese medicines(TCMs)have been used to prevent and treat various diseases for thousands of years.Promoting efficacy and reducing toxicity by the compatibility theory of TCMs has attracted increasing attention,especially for the toxicity of herbs.Studies have pointed out the interactions between the active compounds of herbs and transporters in the detoxification process of toxic compounds.Here,we summarize data on five toxic herbs commonly used in TCMs and their related efflux transporters to reduce toxicity to offer a scientific rationale for the compatibility principle of TCMs and provide guidance for the rational clinical use of TCMs.
文摘Mg(OH)2 powders were formed by the decomposition of Mg3N2 powders synthesized by a simple reaction of Mg with N Ha. X-ray diffraction(XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy(SEM) were used to study the structure, composition and morphology of the products. Mg (OH)2 nanowires with an average diameter about 300 nm-500 nm were found in these Mg(OH)2 powders.
文摘Ionic liquids analogues known as Deep Eutectic Solvents (DESs) are gaining a surge of interest by the scientific community, and many applications involving DESs have been realized. Moisture content is one of the important factors that affects the physical and chemical characteristics of these fluids. In this work, the effect of mixing water with three common type III DESs on their viscosity was investigated within the water tool fraction range of (0-1) and at the temperature range (298.15-353.15 K). Similar trends of viscosity variation with respect to molar composition and temperature were observed for the three studied systems, Due to the asymmetric geometry of the constituting molecules in these fluids, their viscosity could not be modeled effectively by the conventional Grunberg and Nissan model, and the Fang-He model was used to address this issue with excellent performance. All studied aqueous DES mixtures showed negative deviation in viscosity as compared to ideal mixtures, The degree of intermolecular interactions with water reaches a maximum at a composition of 30% aqueous DES solution. Reline, the most studied DES in the literature, showed the highest deviation. The informa- tion presented in this work on the viscosity of aqueous DES solutions may serve in tuning this important property for diverse industrial applications involving these novel fluids in fluid flow, chemical reactions, liquid-liquid separation and many more.