Formation, solution and phase change of hydration products in MgO-MgCl2-H2O system was studied with thermodynamics method, and resistance to water immersion and phase change of magnesium oxychloride cement with differ...Formation, solution and phase change of hydration products in MgO-MgCl2-H2O system was studied with thermodynamics method, and resistance to water immersion and phase change of magnesium oxychloride cement with different MgO/MgCl2 molar ratio was experimented. The results show that pH value of immersion solution of cement paste has a remarkable influence on phase stability of hydration products. A higher pH value leads to a lower solubility and a better phase stability of hydration products. When the solution pH value is higher than 10.37, the precipitation of much Mg（OH）2 crystal induces a worse phase stability of hydration products. With the increasing MgO/MgCl2 molar ratio （lower than 6）, the more amount of MgO in the hydration products enhances the alkalinity of solution and the phase stability is improved. However, when the MgO/MgCl2 molar ratio is higher than 6 and the excessive MgO exsits in the hydration products, the cement paste may be damaged by the excessive crystallization stress of a great deal of Mg（OH）2 formation.展开更多
The synthesis of 1,3,5-substituted-1,2,4-triazoles from α-imino-3-pyridine formic acid,acetamidine and anisole hydrazine as a model reaction in this paper and the synthesis mechanism of 1,3,5-substituted-1,2,4-triazo...The synthesis of 1,3,5-substituted-1,2,4-triazoles from α-imino-3-pyridine formic acid,acetamidine and anisole hydrazine as a model reaction in this paper and the synthesis mechanism of 1,3,5-substituted-1,2,4-triazole compounds from carboxylic acids,amidines and hydrazines have been first investigated with the B3 LYP/6-311＋＋G＊＊ method.According to the potential energy profile,it can be predicted that the course of the reaction consists of five reactions containing six elementary reactions.The α-imino-3-pyridine formic acid and acetamidine form first an intermediate product through a dehydration reaction; the intermediate product further combines with hydrogen ion to form a positive ion; the positive ion reacts with anisole hydrazine by a dehydration reaction to form another positive ion; then,followed by two isomerization reactions,the final reaction with the acetate ion（Ac-） produces the final product.The research results reveal the laws of synthesis reaction of 1,3,5-substituted-1,2,4-triazoles by the carboxylic acids,amidines,hydrazines and their derivatives on theoretical level.It provides the systemic theoretical basis for the synthesis,development and application of 1,3,5-substituted-1,2,4-triazole compounds.展开更多
A series of CuO-ZnO catalysts （with different Cu/Zn molar ratios） were prepared, and evaluated under the reaction conditions of syngas-to-dimethyl ether （DME） with three sorts of feed gas and different space veloc...A series of CuO-ZnO catalysts （with different Cu/Zn molar ratios） were prepared, and evaluated under the reaction conditions of syngas-to-dimethyl ether （DME） with three sorts of feed gas and different space velocity. The catalysts were characterized by X-ray diffraction （XRD） and temperatureprogrammed reduction （TPR）. The experiment results showed that the reaction conditions of syngas-to- DME process greatly affected the methanol synthesis and WGS reaction. The influence caused by Cu/Zn molar ratio was quite different on the two reactions; increasing of percentage of CO2 in feed gas was unfavorable for catalyst activity, and also inhibited both reactions; enhancement of reaction space velocity heavily influenced the performance of the catalyst, and the benefits were relatively less for methanol synthesis than for the WGS reaction.展开更多
The effect of fly ash on controlling alkail-silica rection （ASR） in simudated alkali solution was studied. The expausion of mortar bars and the content of Ca（ OH）2 in cement paste cured at 80 °G for 91 d were...The effect of fly ash on controlling alkail-silica rection （ASR） in simudated alkali solution was studied. The expausion of mortar bars and the content of Ca（ OH）2 in cement paste cured at 80 °G for 91 d were measured. Traasmission electron microscopy （TEM） and high-resolution transmission electron microscot9 （HRTEM） were employed to study the microstructure of C-S-H. TEM/ energy dispersive spectroscopy （EDS） leas then used to determine the composition of C-S-H. The pore structure of the paste was analyzed by mercury intntsion porosimetry （MIP）. The results show that the contents of fly ash of 30% and 45% can well inhibit ASR. And the content of Ca（OH） 2 decreases with the increase of fly ash. That fly ash reacted with Ca（OH）2 to produce C-S-H with a low Ca/Si molar ratio could bind more Na^＋ and K^＋ ious, and produce a reduction in the amount of soluble alkali available for ASR. At the same time, the C- S- H produced by pozzolanic reaction converted large pores to snudler ones （ gel pores smaller than 10 nm ） to deusify the pore structure. Perhaps that could inhibit alkali trausport to aggregate for ASR.展开更多
基金Funded by the National Natural Science Foundation of China(No50078019)
文摘Formation, solution and phase change of hydration products in MgO-MgCl2-H2O system was studied with thermodynamics method, and resistance to water immersion and phase change of magnesium oxychloride cement with different MgO/MgCl2 molar ratio was experimented. The results show that pH value of immersion solution of cement paste has a remarkable influence on phase stability of hydration products. A higher pH value leads to a lower solubility and a better phase stability of hydration products. When the solution pH value is higher than 10.37, the precipitation of much Mg（OH）2 crystal induces a worse phase stability of hydration products. With the increasing MgO/MgCl2 molar ratio （lower than 6）, the more amount of MgO in the hydration products enhances the alkalinity of solution and the phase stability is improved. However, when the MgO/MgCl2 molar ratio is higher than 6 and the excessive MgO exsits in the hydration products, the cement paste may be damaged by the excessive crystallization stress of a great deal of Mg（OH）2 formation.
基金supported by the National Natural Science Foundation of China(No.51102114)
文摘The synthesis of 1,3,5-substituted-1,2,4-triazoles from α-imino-3-pyridine formic acid,acetamidine and anisole hydrazine as a model reaction in this paper and the synthesis mechanism of 1,3,5-substituted-1,2,4-triazole compounds from carboxylic acids,amidines and hydrazines have been first investigated with the B3 LYP/6-311＋＋G＊＊ method.According to the potential energy profile,it can be predicted that the course of the reaction consists of five reactions containing six elementary reactions.The α-imino-3-pyridine formic acid and acetamidine form first an intermediate product through a dehydration reaction; the intermediate product further combines with hydrogen ion to form a positive ion; the positive ion reacts with anisole hydrazine by a dehydration reaction to form another positive ion; then,followed by two isomerization reactions,the final reaction with the acetate ion（Ac-） produces the final product.The research results reveal the laws of synthesis reaction of 1,3,5-substituted-1,2,4-triazoles by the carboxylic acids,amidines,hydrazines and their derivatives on theoretical level.It provides the systemic theoretical basis for the synthesis,development and application of 1,3,5-substituted-1,2,4-triazole compounds.
文摘A series of CuO-ZnO catalysts （with different Cu/Zn molar ratios） were prepared, and evaluated under the reaction conditions of syngas-to-dimethyl ether （DME） with three sorts of feed gas and different space velocity. The catalysts were characterized by X-ray diffraction （XRD） and temperatureprogrammed reduction （TPR）. The experiment results showed that the reaction conditions of syngas-to- DME process greatly affected the methanol synthesis and WGS reaction. The influence caused by Cu/Zn molar ratio was quite different on the two reactions; increasing of percentage of CO2 in feed gas was unfavorable for catalyst activity, and also inhibited both reactions; enhancement of reaction space velocity heavily influenced the performance of the catalyst, and the benefits were relatively less for methanol synthesis than for the WGS reaction.
基金Founded bythe National Basic Research Programof China"973"(No.2001CB610706)
文摘The effect of fly ash on controlling alkail-silica rection （ASR） in simudated alkali solution was studied. The expausion of mortar bars and the content of Ca（ OH）2 in cement paste cured at 80 °G for 91 d were measured. Traasmission electron microscopy （TEM） and high-resolution transmission electron microscot9 （HRTEM） were employed to study the microstructure of C-S-H. TEM/ energy dispersive spectroscopy （EDS） leas then used to determine the composition of C-S-H. The pore structure of the paste was analyzed by mercury intntsion porosimetry （MIP）. The results show that the contents of fly ash of 30% and 45% can well inhibit ASR. And the content of Ca（OH） 2 decreases with the increase of fly ash. That fly ash reacted with Ca（OH）2 to produce C-S-H with a low Ca/Si molar ratio could bind more Na^＋ and K^＋ ious, and produce a reduction in the amount of soluble alkali available for ASR. At the same time, the C- S- H produced by pozzolanic reaction converted large pores to snudler ones （ gel pores smaller than 10 nm ） to deusify the pore structure. Perhaps that could inhibit alkali trausport to aggregate for ASR.
