Electron-polyatomic Scattering and Simulation of Heat Flow for Reactive Plasma Research

用于反应等离子体研究的电子多原子散射和热流模拟

• 批准号: 09640479
• 负责人: SATO Hiroshi
• 金额: $ 1.92万
• 依托单位: Ochanomizu University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 1997
• 资助国家: 日本
• 起止时间: 1997 至 1999
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-09640479/
• 关键词: reactive plasma; collision cross section; electron-polyatom collision; ion-atom collision; イオン・表面衝突; イオン・原子衝突; Alchemy; 電子-多原子分子散乱; 電子状態

We have constructed computer codes to calculate cross sections for ion-atom collision system involving more than 3 electrons. "Alchemy" is used to obtain electronic energies and wavefunctions of pseude-molecular systems. We adopt Slater type atomic orbitals as basis functions and can obtain results of very high precision by using "Alchemy". Several codes are made to calclate matrix elements of non-adiabatic coupling terms by using the wavefunctions and to solve coupled equations for a collision system.We calculated electron capture in collision of AlィイD12+ィエD1 with He and HeィイD12+ィエD1 with Al by using the codes and obtained more reliable cross sections. Straight line trajectry approximation have been adopted by many investigators. We calculated cross sections with straight trajectory and those with Coulomb trajectry to find large trajectory effect. We also investigated charge tranfer in collision of SiィイD14+ィエD1 with He and obtained reasonable cross sections. We will continue investigation of charge transfer for CィイD14+ィエD1 + H, ClィイD17+ィエD1 + H and other collision systems by using codes constructed in this research.About ten years ago, we made computer codes of continuum multiple scattering method for electron-polyatomic collision research. We developed research of electron scattering with polyatomic molecules, such as CHィイD24ィエD2, CHィイD23ィエD2F, CHィイD22ィエD2FィイD22ィエD2, CHFィイD23ィエD2, CFィイD24ィエD2, COィイD22ィエD2, CィイD22ィエD2HィイD22ィエD2, CィイD23ィエD2HィイD28ィエD2, and CィイD23ィエD2FィイD28ィエD2, using the code and other codes made thereafter. Results of the researches were published in several journals.We put emphasis on researches of electronic and atomic collisions at this time and only investigated numerical simulation of heat flow of reactive plasma research. Other research group is developing simulation codes . We have a plan to make joint researches into the group.

我们编制了计算三个以上电子的离子-原子碰撞截面的计算机程序。“炼金术”是用来获得电子能量和波函数的准分子系统。我们采用斯莱特型原子轨道作为基函数，用“炼金术”可以得到很高精度的结果。利用波函数计算非绝热耦合项的矩阵元和求解碰撞系统的耦合方程，编制了几个程序，计算了Al_（12）+He_（12）+He_（12）+He_（12）D_1与Al碰撞的电子俘获截面，得到了较可靠的截面。直线近似法已被许多研究者采用。我们计算了直线轨道和库仑轨道的截面，试图发现大的轨道效应。我们还研究了Si_xD_（14）+Si_xD_（11）与He碰撞的电荷转移，得到了合理的碰撞截面。我们将继续利用本研究中建立的程序研究C_（14）+C_（17）+C_（17）D_（14）+ H、C_（17）+C_（17）D_（17）+ H等碰撞体系的电荷转移。我们开展了多原子分子，如CH_（24）CH_（23）CH_（22）CH_（23）CH_（22）CH_（23）CH_使用该代码和此后产生的其他代码。研究成果发表在多个期刊上，目前主要侧重于电子和原子碰撞的研究，仅对反应等离子体热流的数值模拟进行了研究。其他研究小组正在开发模拟代码。我们有一个共同研究小组的计划。

项目成果

季村峯生: "Charge Transfer Processes in Collisions of Ground State C^+・・・"Physical Review A. 60. 345-353 (1999)

Mineo Kimura：“基态 C^+ 碰撞中的电荷转移过程......”物理评论 A. 60. 345-353 (1999)

季村 峯生: "Remarks on Total Cross Sections for Electron and Positron Scattering from CO_2 …" Journal of Chemical Physics. 107. 6616-6620 (1997)

Mineo Kimura：“关于 CO_2 电子和正电子散射的总横截面的评论……”化学物理杂志 107。6616-6620 (1997)

O. Sueoka, H. Takagi, A. Hamada, H. Sato and M. Kimura: "Total Cross Sections of Electron and Position Collisions with CHFィイD23ィエD2 Molecules : A Comparative Study with CHィイD24ィエD2 and CFィイD24ィエD2"Chem. Phys. Lett.. 288. 124-130 (1998)

O. Sueoka、H. Takagi、A. Hamada、H. Sato 和 M. Kimura：“CHF-D23-D2 分子的电子和位置碰撞的总横截面：CH-D24-D2 和 CF-D24 的比较研究-D2“化学。物理。快报.. 288. 124-130 (1998)

T. Kusakabe, K. Hosomi, H. Nakanishi, H. Tawara, M. Sasao, Y. Nakai and M. Kimura: "charge Transfer Processes in Collisions of Ground State CィイD1+ィエD1 Ions with HィイD22ィエD2, DィイD22ィエD2 and COィイD22ィエD2 Molecules in the Energy Range from 0.5 keV to 4.5 keV"P

T. Kusakabe、K. Hosomi、H. Nakanishi、H. Tawara、M. Sasao、Y. Nakai 和 M. Kimura：“基态 C-D1+I-D1 离子与 H-D22 D2 碰撞中的电荷转移过程、D22D2 和 COD22D2 分子能量范围为 0.5 keV 至 4.5 keV"P

季村峯生: "Charge Transfer Processes in Collisions of Ground State C^+・・・・"Physical Review A. 60. 345-353 (1999)

Mineo Kimura：“基态 C^+碰撞中的电荷转移过程”物理评论 A. 60. 345-353 (1999)