| Project/Area Number |
23740390
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Petrology/Mineralogy/Science of ore deposit
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| Research Institution | National Institute for Materials Science (2013)
Tokyo Institute of Technology (2011-2012) |
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Principal Investigator |
SAKUMA Hiroshi 独立行政法人物質・材料研究機構, 環境再生材料ユニット, 主任研究員 (20400426)
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| Project Period (FY) |
2011 – 2013
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| Project Status |
Completed (Fiscal Year 2013)
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| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2013: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2012: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2011: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
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| Keywords | 固液界面 / 石油の回収率増進 / カルサイト / 親水性 / 密度汎関数理論 / 表面X線散乱 / 吸着水 / 白雲母 / 石油の回収率 / 水和 / X線CTR散乱 / 分子動力学計算 / 第一原理計算 / 吸着 / 水 / 収着 |
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| Research Abstract |
We revealed using density functional theory that MgSO4 incorporation in a calcite (CaCO3) surface renders the surface more water wet. This is a mechanism of enhanced oil recovery using MgSO4-dissolved artificial sea water. We have used density functional theory to predict the ion exchange energies for divalent cations Ni2+, Sr2+, Cd2+, and Pb2+ into a calcite surface in equilibrium with water. Calcite can be a sink for toxic divalent cations, Ni2+, Cd2+, Pb2+, whereas Sr2+ substitutes endothermically. Ni2+ substitution is favored at the mineral–fluid interface compared with bulk substitution, which agrees with experimental data.
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