The process of use catalyst or functional material that contains iron ion to weaken -O-H-O- hydrogen bond of the thick oil to reduce viscidity or crack, in aspects of the ion charge. covalent bond order, total energy ...The process of use catalyst or functional material that contains iron ion to weaken -O-H-O- hydrogen bond of the thick oil to reduce viscidity or crack, in aspects of the ion charge. covalent bond order, total energy and the average distance of Fe-O. is studied with density function theory and discrete variational method （DFT-DVM）, one of the first principle methods. With the decrease of the distance of Fe-O. the charge of Fe ion increases, the charge of hydrogen ion decreases, and hydrogen bond is weakened. There are obvious and more stable effects to use the catalyst that contains multiple metal ions or increase the catalyst amount in weakening hydrogen bond of the thick oil. This theoretic work is helpful to exploit and process the thick oil of petroleum and maybe overcome the crisis of petroleum energy is approaching to us.展开更多
ZnO hierarchical aggregates have been successfully synthesized by solvothermal methods through reaction of zinc acetate and potassium hydroxide in methanol solution. The shapes of the aggregates were controlled by var...ZnO hierarchical aggregates have been successfully synthesized by solvothermal methods through reaction of zinc acetate and potassium hydroxide in methanol solution. The shapes of the aggregates were controlled by varying the ratio of Zn2~ and OH- ions in the reaction system, while the size can be tuned from 2μm to 100 nm. Oriented attachment was found to be the main mechanism of the three-dimensional assembly of small ZnO nanocrystallites into large aggregates. The performance of these aggregates in dye-sensitized solar cells （DSCs） indicated that hierarchical structured photoelectrodes can increase energy conversion efficiency of DSCs effectively when the sizes of aggregates match the wavelengths of visible light.展开更多
基金Acknowledgments： Thanks for the subsidization by the National Science Foundation of China （No. 50774070）, Ministry of Education of China （PCSIRT0644） and Open Fund of the State Key Lab of Theoretical ＆ Computational Chemistry.
文摘The process of use catalyst or functional material that contains iron ion to weaken -O-H-O- hydrogen bond of the thick oil to reduce viscidity or crack, in aspects of the ion charge. covalent bond order, total energy and the average distance of Fe-O. is studied with density function theory and discrete variational method （DFT-DVM）, one of the first principle methods. With the decrease of the distance of Fe-O. the charge of Fe ion increases, the charge of hydrogen ion decreases, and hydrogen bond is weakened. There are obvious and more stable effects to use the catalyst that contains multiple metal ions or increase the catalyst amount in weakening hydrogen bond of the thick oil. This theoretic work is helpful to exploit and process the thick oil of petroleum and maybe overcome the crisis of petroleum energy is approaching to us.
文摘ZnO hierarchical aggregates have been successfully synthesized by solvothermal methods through reaction of zinc acetate and potassium hydroxide in methanol solution. The shapes of the aggregates were controlled by varying the ratio of Zn2~ and OH- ions in the reaction system, while the size can be tuned from 2μm to 100 nm. Oriented attachment was found to be the main mechanism of the three-dimensional assembly of small ZnO nanocrystallites into large aggregates. The performance of these aggregates in dye-sensitized solar cells （DSCs） indicated that hierarchical structured photoelectrodes can increase energy conversion efficiency of DSCs effectively when the sizes of aggregates match the wavelengths of visible light.
