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Stability and Reactions of CaCO3 Polymorphs in the Earth's Deep Mantle

文献类型：期刊论文

作者Zhang, Zhigang1,2,3; Mao, Zhu4; Liu, Xi5,6; Zhang, Yigang1,2,3; Brodholt, John7,8
刊名JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH
出版日期2018-08-01
卷号123期号:8页码:6491-6500
关键词CaCO3 polymorphs first principles mantle reactions temperature
ISSN号2169-9313
DOI10.1029/2018JB015654
英文摘要As an important component of carbonates in the mantle, CaCO3 is a major carrier of carbon from the surface to the deep interiors. In recent years, new varieties of CaCO3 polymorphs have been continuously predicted by first principles simulations and verified by experiments. The findings of these polymorphs open the possibility of stabilizing CaCO3 component in the lowermost mantle. Here, through extensive first principles simulations, we inspect the stability and reactions of high-pressure CaCO3 polymorphs at high temperatures. Systematic errors from approximations to the exchange-correlation functional in density functional theory have been essentially eliminated with a generalized rescaling method to increase the predictability of the simulations. We find temperature has important effects on the stabilities and the reactions of CaCO3 polymorphs with mantle minerals. In particular, the tetrahedrally structured CaCO3-polymorph (space group P2(1)/c) is found to be sensitive to temperature with a positive Clapeyron slope of 15.81(6) MPa/K. Reacting with MgSiO3, CaCO3 is shown to be less stable than MgCO3 over the whole mantle pressures (to similar to 136 GPa) above similar to 1500 K. And CaCO3 is demonstrated to readily react with SiO2 even in the cold subduction slabs. Thus, high temperature greatly increases the tendency of partitioning calcium into the silicates, and CaCO3 is not likely to be the major host of carbon in the Earth's deep mantle.
WOS关键词EQUATION-OF-STATE ; HIGH-PRESSURE ; HIGH-TEMPERATURE ; TRANSITION ZONE ; MELTING RELATIONSHIPS ; MINERAL INCLUSIONS ; DIAMOND FORMATION ; PHASE-EQUILIBRIA ; CARBON ; ARAGONITE
资助项目Strategic Priority Research Program (B) of Chinese Academy of Sciences[XDB18000000] ; National Natural Science Foundation of China[41474156] ; National Natural Science Foundation of China[41020134003]
WOS研究方向Geochemistry & Geophysics
语种英语
WOS记录号WOS:000446170700020
出版者AMER GEOPHYSICAL UNION
资助机构Strategic Priority Research Program (B) of Chinese Academy of Sciences ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China
源URL[http://ir.iggcas.ac.cn/handle/132A11/89207]  
专题地质与地球物理研究所_中国科学院地球与行星物理重点实验室
通讯作者Zhang, Zhigang
作者单位1.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Earth & Planetary Phys, Beijing, Peoples R China
2.Chinese Acad Sci, Inst Earth Sci, Beijing, Peoples R China
3.Univ Chinese Acad Sci, Coll Earth & Planetary Sci, Beijing, Peoples R China
4.Univ Sci & Technol China, Sch Earth & Planetary Sci, Lab Seismol & Phys Earths Interior, Hefei, Anhui, Peoples R China
5.Peking Univ, MOE, Key Lab Orogen Belts & Crustal Evolut, Beijing, Peoples R China
6.Peking Univ, Sch Earth & Space Sci, Beijing, Peoples R China
7.UCL, Dept Earth Sci, London, England
8.Univ Oslo, CEED, Oslo, Norway
推荐引用方式
GB/T 7714		 Zhang, Zhigang,Mao, Zhu,Liu, Xi,et al. Stability and Reactions of CaCO3 Polymorphs in the Earth's Deep Mantle[J]. JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH,2018,123(8):6491-6500.
APA Zhang, Zhigang,Mao, Zhu,Liu, Xi,Zhang, Yigang,&Brodholt, John.(2018).Stability and Reactions of CaCO3 Polymorphs in the Earth's Deep Mantle.JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH,123(8),6491-6500.
MLA Zhang, Zhigang,et al."Stability and Reactions of CaCO3 Polymorphs in the Earth's Deep Mantle".JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH 123.8(2018):6491-6500.

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来源：地质与地球物理研究所

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