The lattice-inversion embedded-atom-method interatomic potential developed previously by us is extended to alkaline metals including Li,Na,and K.It is found that considering interatomic interactions between neighborin...The lattice-inversion embedded-atom-method interatomic potential developed previously by us is extended to alkaline metals including Li,Na,and K.It is found that considering interatomic interactions between neighboring atoms of an appropriate distance is a matter of great significance in constructing accurate embedded-atom-method interatomic potentials,especially for the prediction of surface energy.The lattice-inversion embedded-atom-method interatomic potentials for Li,Na,and K are successfully constructed by taking the fourth-neighbor atoms into consideration.These angular-independent potentials markedly promote the accuracy of predicted surface energies,which agree well with experimental results.In addition,the predicted structural stability,elastic constants,formation and migration energies of vacancy,and activation energy of vacancy diffusion are in good agreement with available experimental data and first-principles calculations,and the equilibrium condition is satisfied.展开更多
The adsorption of CO_(2) on MgAl layered double hydroxides(MgAl-LDHs) based adsorbents has been an effective way to capture CO_(2),however the adsorption capacity was hampered due to the pore structure and the dispers...The adsorption of CO_(2) on MgAl layered double hydroxides(MgAl-LDHs) based adsorbents has been an effective way to capture CO_(2),however the adsorption capacity was hampered due to the pore structure and the dispersibility of adsorption active sites.To address the problem,we investigate the effect of intercalated anion and alkaline etching time on the structure,morphology and CO_(2) uptake performances of MgAl-LDHs.MgAl-LDHs are synthesized by the onepot hydrothermal method,followed by alkaline etching of NaOH,and characterized by x-ray diffraction,N_(2) adsorption,scanning electron microscopy and Fourier transform infrared spectroscopy.The CO_(2) adsorption tests of the samples are performed on a thermogravimetric analyzer,and the adsorption data are fitted by the first-order,pseudo-second-order and Elovich models,respectively.The results demonstrate that among the three intercalated samples,MgAl(Cl) using chloride salts as precursors possesses the highest adsorption capacity of CO_(2),owing to high crystallinity and porous structure,while MgAl(Ac) employing acetate salts as precursors displays the lowest CO_(2) uptake because of poor crystallinity,disorderly stacked structure and unsatisfactory pore structure.With regard to alkaline etching,the surface of the treated MgAl(Cl) is partly corroded,thus the specific surface area and pore volume increase,which is conducive to the exposure of adsorption active sites.Correspondingly,the adsorption performance of the alkaline-etched adsorbents is significantly improved,and MgAl(Cl)-6 has the highest CO_(2) uptake.With the alkaline etching time further increasing,the CO_(2) adsorption capacity of MgAl(Cl)-9 sharply decreases,mainly due to the collapse of pore structure and the fragmentized sheet-structure.Hence,the CO_(2) adsorption performance is greatly influenced by alkaline etching time,and appropriate alkaline etching time can facilitate the contact between CO_(2) molecules and the adsorbent.展开更多
[Objective] The paper was to investigate in vitro antibacterial effect of alkaline hydrogen water on Escherichia coli,Salmonella,Pseudomonas aeruginosa and Staphylococcus aureus.[Method] With Cortex cinnamomi extract...[Objective] The paper was to investigate in vitro antibacterial effect of alkaline hydrogen water on Escherichia coli,Salmonella,Pseudomonas aeruginosa and Staphylococcus aureus.[Method] With Cortex cinnamomi extract（1 g/m L） and pure water as the control,the minimal inhibitory concentrations（MIC） against four kinds of common pathogenic microorganisms were tested through microdilution method.[Result] When the alkaline hydrogen water was diluted to 1/8 times of the original concentration,it had significant antibacterial effects on four kinds of common mi-croorganisms with the concentration of 1.5 ×10^5 CFU/m L,which had equivalent effect with C.cinnamomi extract group.[Conclusion]The alkaline hydrogen water has remarkable antibacterial effects on the four kinds of common microorganisms,which may provide a new important way for pre-venting disease occurrence and reducing the harms of pathogenic microorganisms.展开更多
In this paper,the online measurement of the alkalinity of caustic washing liquid by the conductivity method was discussed,and a working curve of the conductivity vs.alkalinity was established,for which the correlation...In this paper,the online measurement of the alkalinity of caustic washing liquid by the conductivity method was discussed,and a working curve of the conductivity vs.alkalinity was established,for which the correlation coefficient is 0.9979(n=7).The influence of the temperature of the caustic washing liquid and the presence of coexisting ions,such as iron and oil,on the accuracy of the conductivity method was discussed.The temperature is compensated for by establishing the correlation between conductivity and temperature.When the iron concentration is≤1000 mg/L,and the oil concentration is≤1000 mg/L,the deviation in the results obtained using the conductivity and titration methods is≤2.5 g/L.The t-test results show that there is no systematic devia-tion between the conductivity and titration methods.The conductivity method has the advantages of a fast response and good real-time performance,which meet the requirements for the online determination of the alkalinity of caustic washing liquid.展开更多
以硝酸镍为镍源、酸/碱性硅溶胶为硅源,采用共沉淀法制备了2种Ni/SiO_(2)催化剂。采用固定床反应器,评价Ni/SiO_(2)催化剂对于2-甲基呋喃(2-MF)气相加氢合成2-甲基四氢呋喃(2-MTHF)的反应性能。通过XRD、N_(2)等温吸附-脱附、H_(2)-TPR...以硝酸镍为镍源、酸/碱性硅溶胶为硅源,采用共沉淀法制备了2种Ni/SiO_(2)催化剂。采用固定床反应器,评价Ni/SiO_(2)催化剂对于2-甲基呋喃(2-MF)气相加氢合成2-甲基四氢呋喃(2-MTHF)的反应性能。通过XRD、N_(2)等温吸附-脱附、H_(2)-TPR、NH3-TPD、XPS、FTIR和TEM对催化剂进行了表征。考察了硅溶胶的酸碱性对Ni/SiO_(2)催化剂结构及性能的影响。结果表明,以酸性硅溶胶为硅源制备的Ni/SiO_(2)催化剂以弱酸中心酸量为主且存在中强酸中心,比表面积、平均孔径大,因而该催化剂加氢活性和2-MTHF的选择性较高。Ni/SiO_(2)催化剂稳定性良好,在最优反应条件〔温度90℃、H_(2)压力2 MPa、质量空速4.4 g 2-MF/(g催化剂·h)、H_(2)与2-MF物质的量之比为4∶1〕下进行催化剂稳定性测试(200 h),2-MF的转化率达到99.8%,2-MTHF的选择性均保持在97.5%左右。展开更多
基金Project supported by the National Basic Research Program of China (Grant No. 2011CB606401)
文摘The lattice-inversion embedded-atom-method interatomic potential developed previously by us is extended to alkaline metals including Li,Na,and K.It is found that considering interatomic interactions between neighboring atoms of an appropriate distance is a matter of great significance in constructing accurate embedded-atom-method interatomic potentials,especially for the prediction of surface energy.The lattice-inversion embedded-atom-method interatomic potentials for Li,Na,and K are successfully constructed by taking the fourth-neighbor atoms into consideration.These angular-independent potentials markedly promote the accuracy of predicted surface energies,which agree well with experimental results.In addition,the predicted structural stability,elastic constants,formation and migration energies of vacancy,and activation energy of vacancy diffusion are in good agreement with available experimental data and first-principles calculations,and the equilibrium condition is satisfied.
基金Project supported by the National Natural Science Foundation of China(Grant No.21606058)the Natural Science Foundation of Guangxi,China(Grant Nos.2017GXNSFBA198193 and 2017GXNSFBA198124)the Startup Foundation for Doctors of Guilin University of Technology(Grant No.GLUTQD2015008)。
文摘The adsorption of CO_(2) on MgAl layered double hydroxides(MgAl-LDHs) based adsorbents has been an effective way to capture CO_(2),however the adsorption capacity was hampered due to the pore structure and the dispersibility of adsorption active sites.To address the problem,we investigate the effect of intercalated anion and alkaline etching time on the structure,morphology and CO_(2) uptake performances of MgAl-LDHs.MgAl-LDHs are synthesized by the onepot hydrothermal method,followed by alkaline etching of NaOH,and characterized by x-ray diffraction,N_(2) adsorption,scanning electron microscopy and Fourier transform infrared spectroscopy.The CO_(2) adsorption tests of the samples are performed on a thermogravimetric analyzer,and the adsorption data are fitted by the first-order,pseudo-second-order and Elovich models,respectively.The results demonstrate that among the three intercalated samples,MgAl(Cl) using chloride salts as precursors possesses the highest adsorption capacity of CO_(2),owing to high crystallinity and porous structure,while MgAl(Ac) employing acetate salts as precursors displays the lowest CO_(2) uptake because of poor crystallinity,disorderly stacked structure and unsatisfactory pore structure.With regard to alkaline etching,the surface of the treated MgAl(Cl) is partly corroded,thus the specific surface area and pore volume increase,which is conducive to the exposure of adsorption active sites.Correspondingly,the adsorption performance of the alkaline-etched adsorbents is significantly improved,and MgAl(Cl)-6 has the highest CO_(2) uptake.With the alkaline etching time further increasing,the CO_(2) adsorption capacity of MgAl(Cl)-9 sharply decreases,mainly due to the collapse of pore structure and the fragmentized sheet-structure.Hence,the CO_(2) adsorption performance is greatly influenced by alkaline etching time,and appropriate alkaline etching time can facilitate the contact between CO_(2) molecules and the adsorbent.
文摘[Objective] The paper was to investigate in vitro antibacterial effect of alkaline hydrogen water on Escherichia coli,Salmonella,Pseudomonas aeruginosa and Staphylococcus aureus.[Method] With Cortex cinnamomi extract（1 g/m L） and pure water as the control,the minimal inhibitory concentrations（MIC） against four kinds of common pathogenic microorganisms were tested through microdilution method.[Result] When the alkaline hydrogen water was diluted to 1/8 times of the original concentration,it had significant antibacterial effects on four kinds of common mi-croorganisms with the concentration of 1.5 ×10^5 CFU/m L,which had equivalent effect with C.cinnamomi extract group.[Conclusion]The alkaline hydrogen water has remarkable antibacterial effects on the four kinds of common microorganisms,which may provide a new important way for pre-venting disease occurrence and reducing the harms of pathogenic microorganisms.
文摘In this paper,the online measurement of the alkalinity of caustic washing liquid by the conductivity method was discussed,and a working curve of the conductivity vs.alkalinity was established,for which the correlation coefficient is 0.9979(n=7).The influence of the temperature of the caustic washing liquid and the presence of coexisting ions,such as iron and oil,on the accuracy of the conductivity method was discussed.The temperature is compensated for by establishing the correlation between conductivity and temperature.When the iron concentration is≤1000 mg/L,and the oil concentration is≤1000 mg/L,the deviation in the results obtained using the conductivity and titration methods is≤2.5 g/L.The t-test results show that there is no systematic devia-tion between the conductivity and titration methods.The conductivity method has the advantages of a fast response and good real-time performance,which meet the requirements for the online determination of the alkalinity of caustic washing liquid.
文摘以硝酸镍为镍源、酸/碱性硅溶胶为硅源,采用共沉淀法制备了2种Ni/SiO_(2)催化剂。采用固定床反应器,评价Ni/SiO_(2)催化剂对于2-甲基呋喃(2-MF)气相加氢合成2-甲基四氢呋喃(2-MTHF)的反应性能。通过XRD、N_(2)等温吸附-脱附、H_(2)-TPR、NH3-TPD、XPS、FTIR和TEM对催化剂进行了表征。考察了硅溶胶的酸碱性对Ni/SiO_(2)催化剂结构及性能的影响。结果表明,以酸性硅溶胶为硅源制备的Ni/SiO_(2)催化剂以弱酸中心酸量为主且存在中强酸中心,比表面积、平均孔径大,因而该催化剂加氢活性和2-MTHF的选择性较高。Ni/SiO_(2)催化剂稳定性良好,在最优反应条件〔温度90℃、H_(2)压力2 MPa、质量空速4.4 g 2-MF/(g催化剂·h)、H_(2)与2-MF物质的量之比为4∶1〕下进行催化剂稳定性测试(200 h),2-MF的转化率达到99.8%,2-MTHF的选择性均保持在97.5%左右。
