IGGCAS OpenIR  > 地球与行星物理院重点实验室
Stability and Reactions of CaCO3 Polymorphs in the Earth's Deep Mantle
Zhang, Zhigang1,2,3; Mao, Zhu4; Liu, Xi5,6; Zhang, Yigang1,2,3; Brodholt, John7,8
2018-08-01
Source PublicationJOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH
ISSN2169-9313
Volume123Issue:8Pages:6491-6500
AbstractAs 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.
KeywordCaCO3 polymorphs first principles mantle reactions temperature
DOI10.1029/2018JB015654
Funding OrganizationStrategic 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
WOS KeywordEQUATION-OF-STATE ; HIGH-PRESSURE ; HIGH-TEMPERATURE ; TRANSITION ZONE ; MELTING RELATIONSHIPS ; MINERAL INCLUSIONS ; DIAMOND FORMATION ; PHASE-EQUILIBRIA ; CARBON ; ARAGONITE
Language英语
Funding ProjectStrategic Priority Research Program (B) of Chinese Academy of Sciences[XDB18000000] ; National Natural Science Foundation of China[41474156] ; National Natural Science Foundation of China[41020134003]
Funding OrganizationStrategic 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
WOS Research AreaGeochemistry & Geophysics
WOS SubjectGeochemistry & Geophysics
WOS IDWOS:000446170700020
PublisherAMER GEOPHYSICAL UNION
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iggcas.ac.cn/handle/132A11/89207
Collection地球与行星物理院重点实验室
Corresponding AuthorZhang, Zhigang
Affiliation1.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
Recommended Citation
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.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhang, Zhigang]'s Articles
[Mao, Zhu]'s Articles
[Liu, Xi]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhang, Zhigang]'s Articles
[Mao, Zhu]'s Articles
[Liu, Xi]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhang, Zhigang]'s Articles
[Mao, Zhu]'s Articles
[Liu, Xi]'s Articles
Terms of Use
No data!
Social Bookmark/Share
Add to CiteULike Add to Connotea Add to Del.icio.us Add to Digg Add to Reddit Add to Technorati
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.