Molecular flow dynamics model of adsorption and desorption processes via charge transfer
| Project/Area Number |
26630056
|
|---|
| Research Category |
Grant-in-Aid for Challenging Exploratory Research
|
| Allocation Type | Multi-year Fund |
|---|
| Research Field |
Fluid engineering
|
|---|
| Research Institution | Osaka University |
|---|
Principal Investigator |
Doi Kentaro 大阪大学, 基礎工学研究科, 准教授 (20378798)
|
|---|
| Co-Investigator(Kenkyū-buntansha) |
KAWANO SATOYUKI 大阪大学, 基礎工学研究科, 教授 (00250837)
|
|---|
| Project Period (FY) |
2014-04-01 – 2016-03-31
|
| Project Status |
Completed (Fiscal Year 2015)
|
| Budget Amount *help |
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2015: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2014: ¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
|
|---|
| Keywords | 流体工学 / 分子流体力学 / 量子力学 / 電荷移動 / 電気化学反応 |
|---|
| Outline of Final Research Achievements |
In this study, focusing on molecule and ion transport phenomena and charge transfer at electrode surfaces, a novel theoretical model and simulation technique have been developed to treat dynamics via redox reactions and solvation structures. As a result of molecular dynamics simulations based on the theoretical model, focusing on a relationship between the diffusion coefficient of solvation structures of lithium ions in an organic polar solution, it was found that interactions between solvation structures caused to change the fluidity. Furthermore, we developed another model to evaluate current-voltage characteristics in electron transport phenomena. Focusing on the oxygen reduction reaction near platinum surfaces, we analyzed the current-voltage characteristics in terms of the quantum uncertainty principle.
|
Report
(3 results)
Research Products
(11 results)
