采用体心坐标系下振动密耦合方法研究低能电子与H2分子高振动激发散射的动量迁移截面(momen-tum transfer cross section,MTCS)。通过对包含18个振动态、8个分波和16个分子对称性的研究,得到了收敛的密耦合框架下的v=0→v′=5,6,7,8,9,1...采用体心坐标系下振动密耦合方法研究低能电子与H2分子高振动激发散射的动量迁移截面(momen-tum transfer cross section,MTCS)。通过对包含18个振动态、8个分波和16个分子对称性的研究,得到了收敛的密耦合框架下的v=0→v′=5,6,7,8,9,10等几个振动跃迁通道的动量迁移截面值,为进一步精确研究低能电子与H2分子的相互作用机理奠定了基础。展开更多
In this paper we first describe the recently developed theory of close-coupling wave packet(CCWP)method.then calculate the transition prodabilities for the Ar-N2 system in detail.The total angular momentum J=4 is chos...In this paper we first describe the recently developed theory of close-coupling wave packet(CCWP)method.then calculate the transition prodabilities for the Ar-N2 system in detail.The total angular momentum J=4 is chosen,and the nine coupled channels transition probabilities are calculated.Comparision with the results from close-coupling (CC) method shows that the CCWP method is not only more accurate but also faster in computation.展开更多
Applicability of the correlation potential,which is currently used in the local density functional theory,to the low-energy electron-atom and molecule scattering is investigated with some examples of scattering proces...Applicability of the correlation potential,which is currently used in the local density functional theory,to the low-energy electron-atom and molecule scattering is investigated with some examples of scattering processes.展开更多
Silica-dispersed NiMo hydrodesulfurization catalysts were synthesized by the deposition-precipitation method. For comparative purposes, bulk NiMo catalysts were obtained by co-precipitation. The silica-dispersed NiMo ...Silica-dispersed NiMo hydrodesulfurization catalysts were synthesized by the deposition-precipitation method. For comparative purposes, bulk NiMo catalysts were obtained by co-precipitation. The silica-dispersed NiMo catalyst had highly active metals content. Silica was employed to disperse active metals for full utilization of active components. The BET analysis showed that the silica-dispersed NiMo catalysts had a high surface area （147.0 m2/g） and pore volume （0.27 mL/g）, whereas the bulk NiMo catalysts exhibited a very low surface area （87.5 m2/g）. Transmission electron microscopy results proved that the active components were dispersed on the SiO2 substrate. X-ray diffraction patterns of the silicadispersed NiMo catalyst and the bulk NiMo catalyst were indexed to NiMoO4. The hydrodesulfurization activity of silicadispersed NiMo catalysts was much higher than that of reference catalysts and could be up to twice greater than those of commercial NiMo alumina-supported systems per gram of catalyst. The activity testing results also demonstrated that the silica-dispersed NiMo catalyst was an effective hydrodesulflarization catalyst.展开更多
文摘采用体心坐标系下振动密耦合方法研究低能电子与H2分子高振动激发散射的动量迁移截面(momen-tum transfer cross section,MTCS)。通过对包含18个振动态、8个分波和16个分子对称性的研究,得到了收敛的密耦合框架下的v=0→v′=5,6,7,8,9,10等几个振动跃迁通道的动量迁移截面值,为进一步精确研究低能电子与H2分子的相互作用机理奠定了基础。
文摘In this paper we first describe the recently developed theory of close-coupling wave packet(CCWP)method.then calculate the transition prodabilities for the Ar-N2 system in detail.The total angular momentum J=4 is chosen,and the nine coupled channels transition probabilities are calculated.Comparision with the results from close-coupling (CC) method shows that the CCWP method is not only more accurate but also faster in computation.
文摘Applicability of the correlation potential,which is currently used in the local density functional theory,to the low-energy electron-atom and molecule scattering is investigated with some examples of scattering processes.
基金the financial support from the National Basic Research Program(No. 2010CB226905) of China.
文摘Silica-dispersed NiMo hydrodesulfurization catalysts were synthesized by the deposition-precipitation method. For comparative purposes, bulk NiMo catalysts were obtained by co-precipitation. The silica-dispersed NiMo catalyst had highly active metals content. Silica was employed to disperse active metals for full utilization of active components. The BET analysis showed that the silica-dispersed NiMo catalysts had a high surface area （147.0 m2/g） and pore volume （0.27 mL/g）, whereas the bulk NiMo catalysts exhibited a very low surface area （87.5 m2/g）. Transmission electron microscopy results proved that the active components were dispersed on the SiO2 substrate. X-ray diffraction patterns of the silicadispersed NiMo catalyst and the bulk NiMo catalyst were indexed to NiMoO4. The hydrodesulfurization activity of silicadispersed NiMo catalysts was much higher than that of reference catalysts and could be up to twice greater than those of commercial NiMo alumina-supported systems per gram of catalyst. The activity testing results also demonstrated that the silica-dispersed NiMo catalyst was an effective hydrodesulflarization catalyst.
