Alumina coated LiNi1/3Mn1/3Co1/3O2 particles were obtained by a simple method of solid state reaction at room temperature. The reaction mechanism of solid state reaction at room temperature was investigated. The struc...Alumina coated LiNi1/3Mn1/3Co1/3O2 particles were obtained by a simple method of solid state reaction at room temperature. The reaction mechanism of solid state reaction at room temperature was investigated. The structure and morphology of the coating materials were investigated by XRD, SEM and TEM. The electrochemical performances of uncoated and Al2O3-coated LiNi1/3Co1/3Mn1/3O2 cathode materials were studied within a voltage window of 3.00?4.35 V at current density of 30 mA/g. SEM, TEM and EDS analytical results indicate that the surface of LiNi1/3Mn1/3Co1/3O2 particles is coated with very fine Al2O3 composite, which leads to the improved cycle ability though a slight decrease in the first discharge capacity is observed. It is proposed that surface treatment by solid state reaction at room temperature is a simple and effective method to improve the cycle performance of LiNi1/3Co1/3Mn1/3O2 particles.展开更多
To solve the problem of vast cement and low strength in the treated sludge, clay mineral used for accessorial solidification material was applied to advance strength. The principle of solidification sludge strength be...To solve the problem of vast cement and low strength in the treated sludge, clay mineral used for accessorial solidification material was applied to advance strength. The principle of solidification sludge strength because of clay mineral is not clear and has not supported the choice of clay mineral. The mineral and pore water is analyzed in order to contrast clay mineral added or not based on the XRD and pore water chemical character. The result shows that the absorbed quantity of Ca2~ was reduced by sludge because of clay mineral added, the hydrated reaction was advanced and integrated solidified materials was formed.展开更多
Nano-composite ceramic coating was fabricated on Q235 steel through thermo chemical reaction method. Structure of the coating was analyzed and the properties were tested. The results show that a few of new ceramic pha...Nano-composite ceramic coating was fabricated on Q235 steel through thermo chemical reaction method. Structure of the coating was analyzed and the properties were tested. The results show that a few of new ceramic phases, such as MgAI2O4, ZnAI2O4, AI2SiO5, Ni3Fe and Fe3AI, are formed on the coating during the process of solidifying at 600 ℃. The ceramic coating is dense and the high bonding strength is obtained. The average bonding strength between the coating and matrix could be 14.22 MPa. The acid resistance of the coating increase by 8.8 times, the alkali resistance by 4.1 times, the salt resistance bv 10.3 times, and the wear resistance bv 2.39 times.展开更多
Computer simulation is a good guide and reference for development and research on petroleum refining processes. Traditionally, pseudo-components are used in the simulation, in which their physical properties are estim...Computer simulation is a good guide and reference for development and research on petroleum refining processes. Traditionally, pseudo-components are used in the simulation, in which their physical properties are estimated by empirical relations and cannot be associated with actual chemical reactions, as no molecular structure is available for pseudo-components. This limitation can be overcome if real components are used. In this paper, a real component based method is proposed for the simulation of a diesel hydrotreating process by using the software of Unisim Design. This process includes reaction units and distillation units. The chemical reaction network is established by analyzing the feedstock. The feedstock is characterized by real components, which are obtained based on true boiling point curve. Simulation results are consistent with actual data.展开更多
In this work,the dynamics and operation of the totally reboiled reactive distillation columns are visualized in terms of transfer function based process models.This kind of processes is found to be characterized by un...In this work,the dynamics and operation of the totally reboiled reactive distillation columns are visualized in terms of transfer function based process models.This kind of processes is found to be characterized by underdamped step responses due to the special topological configuration and the intricate interplay between the reaction operation and the separation operation involved.The under-dampness can be substantially alleviated through the tight inventory control of bottom reboiler and this presents beneficial effects to process dynamics and operation.Two totally reboiled reactive distillation columns,separating,respectively,a hypothetical synthesis reaction from reactants A and B to product C,and a real decomposition reaction from 1,4-butanediol to tetrahydrofuran and water,are employed to demonstrate these uncommon behaviors.The results obtained give full support to the above qualitative interpretation.Despite the strong influences of reaction kinetics and thermodynamic properties of the reacting mixtures,the totally reboiled reactive distillation columns are generally considered to present such unique behaviors and require tight inventory control of bottom reboiler to facilitate their control system development.展开更多
The objective of this work is to study a comprehensive performance of three types of structured parking in CO2 absorption application. One of them was developed in Mexican National Institute of Nuclear Research (ININ...The objective of this work is to study a comprehensive performance of three types of structured parking in CO2 absorption application. One of them was developed in Mexican National Institute of Nuclear Research (ININ abbreviation in Spanish of Instituto Nacional de lnvestigaciones Nucleates), and the other two, Sulzer BX and Mellapak 250Y, by Sulzer Brothers Ltd. Aqueous solution of 30 weight % Monoethanolamine was employed as absorption solvent. The performance of the structured packing was evaluated in terms of the pressure drop, holds up, volumetric overall mass transfer coefficient and height of a global transfer unit of gas and liquid side as a function of the process operating parameters including gas and liquid load, by using hydrodynamic and mass transfer models. The pressure drop of ININ packing was higher than Sulzer BX and Mellapak 250Y, and volumetric overall mass transfer coefficient values are similar of Sulzer BX values and higher than Mellapak 250Y, although Sulzer BX and ININI 8 packing had less height of a global transfer unit of gas side values than Mellapak 250Y packing. The above-mentioned are consequences of the geometric characteristics and operational behavior for each packing.展开更多
Heterostructures have lately been recognized as a viable implement to achieve high-energy Li-ion batteries(LIBs) because the as-formed built-in electric field can greatly accelerate the charge transfer kinetics. Herei...Heterostructures have lately been recognized as a viable implement to achieve high-energy Li-ion batteries(LIBs) because the as-formed built-in electric field can greatly accelerate the charge transfer kinetics. Herein, we have constructed the Mott-Schottky heterostructured VS2/MoS2 hybrids with tailorable 1T/2H phase based on their matchable formation energy, which are made of metallic and few-layered VS2 vertically grown on MoS2 surface. The density functional theory(DFT) calculations unveil that such heterojunctions drive the rearrangement of energy band with a facilitated reaction kinetics and enhance the Li adsorption energy more than twice compared to the MoS2 surface. Furthermore, the VS2 catalytically expedites the Li–S bond fracture and meantime the enriched Mo6+ enables the sulfur anchoring toward the oriented reaction with Li+to form Li2S, synergistically enhancing the reversibility of electrochemical redox. Consequently, the as-obtained VS2/MoS2 hybrids deliver a very large specific capacity of 1273 m Ah g^-1 at 0.1 A g^-1 with 61% retention even at 5 A g^-1. It can also stabilize 100 cycles at 0.5 A g^-1 and 500 cycles at 1 A g^-1. The findings provide in-depth insights into engineering heterojunctions towards the enhancement of reaction kinetics and reversibility for LIBs.展开更多
With the rapid development of nanotechnology and increasingly broad bio-application of engineered nanomaterials, their bio- hazards have become a serious public concern. It is believed that the chemical nature, partic...With the rapid development of nanotechnology and increasingly broad bio-application of engineered nanomaterials, their bio- hazards have become a serious public concern. It is believed that the chemical nature, particle size, morphology, and surface chemistry of nanomaterials are key parameters that influence their toxicity. Although cultured ceils have been widely used to evaluate nanomaterial toxicity, it remains unclear whether the passage of these cells affects the evaluation results. In the pre- sent study, Ba/F3 cells transfected with the BCR-ABL gene were subcultured to study the effect of passage number on cell sta- bility and their cellular responses upon exposure to nanomaterials. The results demonstrated that proliferation, cellular senes- cence, BCR-ABL gene expression, cell cycle and apoptosis were stable across multiple passages. Senescence and BCR-ABL gene expression of cells from different passage cells were unchanged when treated with silver nanoparticles (AgNPs). In addi- tion, the cells at multiple passage numbers were all arrested in the G2/M phase and apoptosis was induced by the AgNPs. These nanoparticles could enter cells via endocytosis and localize in the cndosomes, which were also not influenced by passage number. These data suggest that short-term passage would not affect cultured cell stability and toxicity assessment using these cells would be consistent when maintained appropriately.展开更多
Theoretical investigations have been carried out on the mechanism and kinetics for the reaction of CF 3 CHO + Cl using duallevel direct dynamics method. The potential energy surface information was obtained at the MCQ...Theoretical investigations have been carried out on the mechanism and kinetics for the reaction of CF 3 CHO + Cl using duallevel direct dynamics method. The potential energy surface information was obtained at the MCQCISD/3//MP2/cc-pVDZ level and the kinetic calculations were done using variational transition state theory with interpolated single-point energy (VTST-ISPE) approach. The calculated results show that the reaction proceeds primarily via the H-abstraction channel, while the Cl-addition channel is unfavorable due to the higher barriers. The improved canonical variational transition-state theory (ICVT) with the small-curvature tunneling correction (SCT) was used to calculate the rate constants. The theoretical rate constants at room temperature are in general agreement with the experimental values. A three-parameter rate constant expression was fitted over a wide temperature range of 200-2000 K.展开更多
基金Project(50604018) supported by the National Natural Science Foundation of China
文摘Alumina coated LiNi1/3Mn1/3Co1/3O2 particles were obtained by a simple method of solid state reaction at room temperature. The reaction mechanism of solid state reaction at room temperature was investigated. The structure and morphology of the coating materials were investigated by XRD, SEM and TEM. The electrochemical performances of uncoated and Al2O3-coated LiNi1/3Co1/3Mn1/3O2 cathode materials were studied within a voltage window of 3.00?4.35 V at current density of 30 mA/g. SEM, TEM and EDS analytical results indicate that the surface of LiNi1/3Mn1/3Co1/3O2 particles is coated with very fine Al2O3 composite, which leads to the improved cycle ability though a slight decrease in the first discharge capacity is observed. It is proposed that surface treatment by solid state reaction at room temperature is a simple and effective method to improve the cycle performance of LiNi1/3Co1/3Mn1/3O2 particles.
基金Acknowledgments Foundation item: National Science Foundation of China (No. 50808068) The Ph.D. Programs Foundation of Ministry of Education of China (No. 200802941001).
文摘To solve the problem of vast cement and low strength in the treated sludge, clay mineral used for accessorial solidification material was applied to advance strength. The principle of solidification sludge strength because of clay mineral is not clear and has not supported the choice of clay mineral. The mineral and pore water is analyzed in order to contrast clay mineral added or not based on the XRD and pore water chemical character. The result shows that the absorbed quantity of Ca2~ was reduced by sludge because of clay mineral added, the hydrated reaction was advanced and integrated solidified materials was formed.
文摘Nano-composite ceramic coating was fabricated on Q235 steel through thermo chemical reaction method. Structure of the coating was analyzed and the properties were tested. The results show that a few of new ceramic phases, such as MgAI2O4, ZnAI2O4, AI2SiO5, Ni3Fe and Fe3AI, are formed on the coating during the process of solidifying at 600 ℃. The ceramic coating is dense and the high bonding strength is obtained. The average bonding strength between the coating and matrix could be 14.22 MPa. The acid resistance of the coating increase by 8.8 times, the alkali resistance by 4.1 times, the salt resistance bv 10.3 times, and the wear resistance bv 2.39 times.
文摘Computer simulation is a good guide and reference for development and research on petroleum refining processes. Traditionally, pseudo-components are used in the simulation, in which their physical properties are estimated by empirical relations and cannot be associated with actual chemical reactions, as no molecular structure is available for pseudo-components. This limitation can be overcome if real components are used. In this paper, a real component based method is proposed for the simulation of a diesel hydrotreating process by using the software of Unisim Design. This process includes reaction units and distillation units. The chemical reaction network is established by analyzing the feedstock. The feedstock is characterized by real components, which are obtained based on true boiling point curve. Simulation results are consistent with actual data.
基金Supported by The National Natural Science Foundation of China(21076015,21376018,and 21576014)The Fundamental Research Funds for the Central Universities(ZY1503)
文摘In this work,the dynamics and operation of the totally reboiled reactive distillation columns are visualized in terms of transfer function based process models.This kind of processes is found to be characterized by underdamped step responses due to the special topological configuration and the intricate interplay between the reaction operation and the separation operation involved.The under-dampness can be substantially alleviated through the tight inventory control of bottom reboiler and this presents beneficial effects to process dynamics and operation.Two totally reboiled reactive distillation columns,separating,respectively,a hypothetical synthesis reaction from reactants A and B to product C,and a real decomposition reaction from 1,4-butanediol to tetrahydrofuran and water,are employed to demonstrate these uncommon behaviors.The results obtained give full support to the above qualitative interpretation.Despite the strong influences of reaction kinetics and thermodynamic properties of the reacting mixtures,the totally reboiled reactive distillation columns are generally considered to present such unique behaviors and require tight inventory control of bottom reboiler to facilitate their control system development.
文摘The objective of this work is to study a comprehensive performance of three types of structured parking in CO2 absorption application. One of them was developed in Mexican National Institute of Nuclear Research (ININ abbreviation in Spanish of Instituto Nacional de lnvestigaciones Nucleates), and the other two, Sulzer BX and Mellapak 250Y, by Sulzer Brothers Ltd. Aqueous solution of 30 weight % Monoethanolamine was employed as absorption solvent. The performance of the structured packing was evaluated in terms of the pressure drop, holds up, volumetric overall mass transfer coefficient and height of a global transfer unit of gas and liquid side as a function of the process operating parameters including gas and liquid load, by using hydrodynamic and mass transfer models. The pressure drop of ININ packing was higher than Sulzer BX and Mellapak 250Y, and volumetric overall mass transfer coefficient values are similar of Sulzer BX values and higher than Mellapak 250Y, although Sulzer BX and ININI 8 packing had less height of a global transfer unit of gas side values than Mellapak 250Y packing. The above-mentioned are consequences of the geometric characteristics and operational behavior for each packing.
基金This work was supported by the National Natural Science Foundation of China(51672082,21975074 and 91534202)the Basic Research Program of Shanghai(17JC1402300)+2 种基金the Shanghai Scientific and Technological Innovation Project(18JC1410500)the National Program for Support of Top-Notch Young Professionalsthe Fundamental Research Funds for the Central Universities(222201718002).
文摘Heterostructures have lately been recognized as a viable implement to achieve high-energy Li-ion batteries(LIBs) because the as-formed built-in electric field can greatly accelerate the charge transfer kinetics. Herein, we have constructed the Mott-Schottky heterostructured VS2/MoS2 hybrids with tailorable 1T/2H phase based on their matchable formation energy, which are made of metallic and few-layered VS2 vertically grown on MoS2 surface. The density functional theory(DFT) calculations unveil that such heterojunctions drive the rearrangement of energy band with a facilitated reaction kinetics and enhance the Li adsorption energy more than twice compared to the MoS2 surface. Furthermore, the VS2 catalytically expedites the Li–S bond fracture and meantime the enriched Mo6+ enables the sulfur anchoring toward the oriented reaction with Li+to form Li2S, synergistically enhancing the reversibility of electrochemical redox. Consequently, the as-obtained VS2/MoS2 hybrids deliver a very large specific capacity of 1273 m Ah g^-1 at 0.1 A g^-1 with 61% retention even at 5 A g^-1. It can also stabilize 100 cycles at 0.5 A g^-1 and 500 cycles at 1 A g^-1. The findings provide in-depth insights into engineering heterojunctions towards the enhancement of reaction kinetics and reversibility for LIBs.
基金supported by the National Key Basic Research Program of China(Grant Nos.2011CB933500 and 2011CB933501)the National Natural Science Foundation of China(Grant Nos.60725101 and 50872021)+3 种基金the International Cooperation Program awarded by MOST(Ministry of Science and Technology) of China(Grant No.2008DFA51180)the Natural Science Foundation of Jiangsu Province in China(Grant Nos.SBE201077305,BK2009013 and BK2009592)the Graduate Research and Innovation Program of Jiangsu Province in China(Grant No.CXZZ-0172)a Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions
文摘With the rapid development of nanotechnology and increasingly broad bio-application of engineered nanomaterials, their bio- hazards have become a serious public concern. It is believed that the chemical nature, particle size, morphology, and surface chemistry of nanomaterials are key parameters that influence their toxicity. Although cultured ceils have been widely used to evaluate nanomaterial toxicity, it remains unclear whether the passage of these cells affects the evaluation results. In the pre- sent study, Ba/F3 cells transfected with the BCR-ABL gene were subcultured to study the effect of passage number on cell sta- bility and their cellular responses upon exposure to nanomaterials. The results demonstrated that proliferation, cellular senes- cence, BCR-ABL gene expression, cell cycle and apoptosis were stable across multiple passages. Senescence and BCR-ABL gene expression of cells from different passage cells were unchanged when treated with silver nanoparticles (AgNPs). In addi- tion, the cells at multiple passage numbers were all arrested in the G2/M phase and apoptosis was induced by the AgNPs. These nanoparticles could enter cells via endocytosis and localize in the cndosomes, which were also not influenced by passage number. These data suggest that short-term passage would not affect cultured cell stability and toxicity assessment using these cells would be consistent when maintained appropriately.
基金supported by the National Natural Science Foundation of China (20973077, 20303007)the Program for New Century Excellent Talents in University (NCET)
文摘Theoretical investigations have been carried out on the mechanism and kinetics for the reaction of CF 3 CHO + Cl using duallevel direct dynamics method. The potential energy surface information was obtained at the MCQCISD/3//MP2/cc-pVDZ level and the kinetic calculations were done using variational transition state theory with interpolated single-point energy (VTST-ISPE) approach. The calculated results show that the reaction proceeds primarily via the H-abstraction channel, while the Cl-addition channel is unfavorable due to the higher barriers. The improved canonical variational transition-state theory (ICVT) with the small-curvature tunneling correction (SCT) was used to calculate the rate constants. The theoretical rate constants at room temperature are in general agreement with the experimental values. A three-parameter rate constant expression was fitted over a wide temperature range of 200-2000 K.