| Project/Area Number |
15K04631
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Multi-year Fund |
|---|
| Section | 一般 |
|---|
| Research Field |
Nanomaterials engineering
|
|---|
| Research Institution | Akita National College of Technology |
|---|
Principal Investigator |
SAKURADA RYOJI 秋田工業高等専門学校, その他部局等, 教授 (60290699)
|
|---|
| Co-Investigator(Kenkyū-buntansha) |
川添 良幸 東北大学, 未来科学技術共同研究センター, 教授 (30091672)
鵜澤 正美 日本大学, 生産工学部, 教授 (80571299)
|
|---|
| Co-Investigator(Renkei-kenkyūsha) |
HOSOKAWA Yoshifumi 太平洋セメント㈱, 中央研究所, 主席研究員
Abhishek Kumar Singh Indian Institute of Science, Materials Research Centre, Associate Professor
|
|---|
| Project Period (FY) |
2015-04-01 – 2018-03-31
|
| Project Status |
Completed (Fiscal Year 2017)
|
| Budget Amount *help |
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2017: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2016: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2015: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
|
|---|
| Keywords | ビーライト / 微量成分 / 水和活性 / 第一原理計算 / 密度汎関数法 / ナノマイクロ構造解析 / セメントクリンカー |
|---|
| Outline of Final Research Achievements |
This work reports the theoretical analyses of initial water adsorption ability of beta-form belite (β-C2S) doped with trace elements. The dependence of trace element on the water molecule adsorption energy on belite surface was analyzed using supercomputer by first-principles calculations based on quantum mechanics. The surface of β-C2S in monoclinic structure was constructed from the 2x1x2 slab composing of two β-C2S layers with a vacuum thickness of 12 angstrom above the slab.
The water adsorption ability of β-C2S surface, where a water molecule adheres onto Ca, is improved by doping alkaline earth metals of Ba or Sr as compared with pristine β-C2S. The Ba-doped structure having lowest adsorption energy leads to enhance the water adsorption ability of β-C2S. Moreover, the incorporation of additional SO3 and P2O5 into the belite doped with Mg, where P2O5 substitutes for SiO4, enables the hydraulic activity of the Mg-doped β-C2S having less improvement of hydraulic activity.
|
