含碳超临界流体的第一性原理分子动力学研究
11774072
2017
A2003.凝聚态物质输运性质
潘鼎
面上项目
Assistant Professor（港澳）
广州市香港科大霍英东研究院
62万元
超临界流体;高温高压化学物理;深部碳循环;第一性原理分子动力学;理论拉曼光谱学
2018-01-01到2021-12-31
- 中英文摘要
- 结题摘要
- 结题报告
- 项目成果
- 项目参与人
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| 序号 | 标题 | 类型 | 作者 |
|---|---|---|---|
| 1 | Discriminating High-Pressure Water Phases Using Rare-Event Determined Ionic Dynamical Properties | 期刊论文 | Lin Zhuang;Qijun Ye;Ding Pan;Xin-Zheng Li |
| 2 | Water-Gas Shift Reaction Produces Formate at Extreme Pressures and Temperatures in Deep Earth Fluids | 期刊论文 | Stolte Nore;Yu Junting;Chen Zixin;Sverjensky Dimitri A.;Pan Ding |
| 3 | A first principles method to determine speciation of carbonates in supercritical water | 期刊论文 | Ding Pan;Giulia Galli |
| 4 | Dielectric constant of supercritical water in a large pressure-temperature range | 期刊论文 | Rui Hou;Yuhui Quan;Ding Pan |
| 5 | Raman spectra of hydrocarbons under extreme conditions of pressure and temperature: a first-principles study | 期刊论文 | Rui Hou;Ding Pan |
| 6 | Large Presence of Carbonic Acid in CO2-Rich Aqueous Fluids under Earth’s Mantle Conditions | 期刊论文 | Nore Stolte;Ding Pan |
| 7 | Communication: Dielectric properties of condensed systems composed of fragments | 期刊论文 | Pan Ding;Govoni Marco;Galli Giulia |
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