Structure and hydration of mineral crystal surfaces
Project/Area Number |
21540493
|
Research Category |
Grant-in-Aid for Scientific Research (C)
|
Allocation Type | Single-year Grants |
Section | 一般 |
Research Field |
Petrology/Mineralogy/Science of ore deposit
|
Research Institution | Okayama University (2011) Tokyo Institute of Technology (2009-2010) |
Principal Investigator |
|
Project Period (FY) |
2009 – 2011
|
Project Status |
Completed (Fiscal Year 2011)
|
Budget Amount *help |
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2011: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2010: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2009: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
|
Keywords | 鉱物結晶 / 表面 / 吸着 / 水和 / 赤外吸収分光 / 分子シミュレーション / 分子動力学法 / 電子状態計算 / 地殻・マントル物質 / ナノ材料 / 表面・界面構造 / 計算科学 / 環境材料 / 粘土鉱物 / 鉱物-水相互作用 |
Research Abstract |
[Infrared absorption spectra] In situ infrared spectra under temperatures and humidity ware obtained by ATR-FTIR methods of 0ne and five reflections. Under stress using weights, the spectra of water pinched between ATR-diamond crystal and mineral surface were measured as function of weight. [X-ray diffraction] X-ray diffraction patterns of adsorbed water and crystal surface were obtain aθ-θtype goniometer with constant low angle incident x-ray beam. We also performed refractivity measurements at KEK-PF to obtain atom distributions in water and alkali halide aqueous solutions near crystal surfaces. [Molecular simulations] Molecular dynamics simulations of corresponding systems with the experiments above were carried out using our inter atomic potential models and the MD code, MXDORTO/MXDTRICL. We are performing combined analyses od experimental results and computations.
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Report
(4 results)
Research Products
(45 results)