以正十八醇为溶剂,裂解二甲基二氯硅烷水解物制备二甲基环硅氧烷混合物,研究了正十八醇与水解物质量比、裂解温度、裂解真空度及催化剂用量对裂解速率、转化率和杂质质量分数的影响。结果表明当正十八醇与水解物质量比为1∶20、裂解真...以正十八醇为溶剂,裂解二甲基二氯硅烷水解物制备二甲基环硅氧烷混合物,研究了正十八醇与水解物质量比、裂解温度、裂解真空度及催化剂用量对裂解速率、转化率和杂质质量分数的影响。结果表明当正十八醇与水解物质量比为1∶20、裂解真空度为95 k Pa、裂解温度为150℃、催化剂用量为0.2%时,裂解速率为1.21 g/min,转化率为95.8%,总杂质质量分数为202×10-6,综合性能最优。展开更多
The potential energy surfaces （PES） of unimolecular dissociation reactions for di-ethyl beryl- lium and di-t-butyl beryllium are investigated by B3LYP, CCSD（T）, and G3B3 approaches. Possible reaction pathways thro...The potential energy surfaces （PES） of unimolecular dissociation reactions for di-ethyl beryl- lium and di-t-butyl beryllium are investigated by B3LYP, CCSD（T）, and G3B3 approaches. Possible reaction pathways through either the radical or transition state （TS） of the molecules are considered. The geometries, vibrational frequencies and relative energies for various sta- tionary points are determined. From the study of energetics, the TS pathways arising from concerted molecular eliminations are indicated to be the main dissociation pathways for both molecules. The PES differences of the dissociation reactions are investigated. The activation energies and rate constants will be helpful for investigating the predictive ability of the reaction in further theoretical and experimental research.展开更多
The electrical heating experiments on oil shale sample from Huadian of Jilin were carried out by the pyrolysis method at three different heating rate 2℃/min, 5 ℃/min and 10 ℃/min in the temperature range of 30℃ -...The electrical heating experiments on oil shale sample from Huadian of Jilin were carried out by the pyrolysis method at three different heating rate 2℃/min, 5 ℃/min and 10 ℃/min in the temperature range of 30℃ -750℃. Heating rate 2 ℃/rain is considered low, while intermediate one covers the range 5 ℃/min and high heating rate is 10℃/min. The controlling parameters studied were the final pyrolysis temperature and the influence of the heating rate as well as type. The heating rate has an important effect on the pyrolysis of oil shale and the amount of residual carbon obtained therefore. It is found that increasing the heating rate and py- rolysis temperature also increases the production of oil and the total weight loss. Higher heating rates resulted in higher rates of accumulation. The rate of oil and water collection passed through the maximum of different heat- ing rates at different pyrolysis temperatures. Heating rate affected density, oil conversion and oil yield.展开更多
文摘以正十八醇为溶剂,裂解二甲基二氯硅烷水解物制备二甲基环硅氧烷混合物,研究了正十八醇与水解物质量比、裂解温度、裂解真空度及催化剂用量对裂解速率、转化率和杂质质量分数的影响。结果表明当正十八醇与水解物质量比为1∶20、裂解真空度为95 k Pa、裂解温度为150℃、催化剂用量为0.2%时,裂解速率为1.21 g/min,转化率为95.8%,总杂质质量分数为202×10-6,综合性能最优。
基金ACKNOWLEDGMENTS This work was supported by the NationM Nature Science Foundation of China （No.11104256） and the Open Project of State Key Laboratory Cultivation base for Nonmetal Composites and Functional Mate- rials （No.11zxfk19）. We thank Dr. Shuang-lin Hu from the Chemistry Department of Uppsala University in Sweden for helpful suggestion. We would also thank the Hefei National Laboratory for Physical Sciences at the Microscale in University of Science and Technology of China for the computational facilities （Gaussian 09）.
文摘The potential energy surfaces （PES） of unimolecular dissociation reactions for di-ethyl beryl- lium and di-t-butyl beryllium are investigated by B3LYP, CCSD（T）, and G3B3 approaches. Possible reaction pathways through either the radical or transition state （TS） of the molecules are considered. The geometries, vibrational frequencies and relative energies for various sta- tionary points are determined. From the study of energetics, the TS pathways arising from concerted molecular eliminations are indicated to be the main dissociation pathways for both molecules. The PES differences of the dissociation reactions are investigated. The activation energies and rate constants will be helpful for investigating the predictive ability of the reaction in further theoretical and experimental research.
文摘The electrical heating experiments on oil shale sample from Huadian of Jilin were carried out by the pyrolysis method at three different heating rate 2℃/min, 5 ℃/min and 10 ℃/min in the temperature range of 30℃ -750℃. Heating rate 2 ℃/rain is considered low, while intermediate one covers the range 5 ℃/min and high heating rate is 10℃/min. The controlling parameters studied were the final pyrolysis temperature and the influence of the heating rate as well as type. The heating rate has an important effect on the pyrolysis of oil shale and the amount of residual carbon obtained therefore. It is found that increasing the heating rate and py- rolysis temperature also increases the production of oil and the total weight loss. Higher heating rates resulted in higher rates of accumulation. The rate of oil and water collection passed through the maximum of different heat- ing rates at different pyrolysis temperatures. Heating rate affected density, oil conversion and oil yield.
