Carbon sequestration during core formation implied by complex carbon polymerization
Carbon sequestration during core formation implied by complex carbon polymerization
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DOI：
10.1038/s41467-019-08742-9
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发表时间：
2019-02
影响因子：
16.6
通讯作者：
N. Solomatova;R. Caracas;C. Manning
中科院分区：
文献类型：
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作者：
N. Solomatova;R. Caracas;C. Manning
目前对地表和地幔之间碳通量的估计是高度可变的，并且储存在封闭的隐藏水库中的碳总量是未知的。了解碳在早期熔融地球中的存在形式是量化地球深部碳预算的关键一步。在这里，我们采用第一性原理分子动力学研究的碳物种的演化作为一个功能的压力在软岩熔体。我们发现，随着压力的增加，丰富的CO2和CO 3物种的减少，在CO 4和复杂的含氧碳聚合物（CxOy）显示多个C-C键的费用。我们预计，聚合氧碳物种是一个重要的水库碳在陆地岩浆海洋。铁碳团簇的存在表明，在分离时，富铁金属可能会从硅酸盐液体中分离出相当大一部分碳，导致碳运输到地球的核心。
Current estimates of the carbon flux between the surface and mantle are highly variable, and the total amount of carbon stored in closed hidden reservoirs is unknown. Understanding the forms in which carbon existed in the molten early Earth is a critical step towards quantifying the carbon budget of Earth's deep interior. Here we employ first-principles molecular dynamics to study the evolution of carbon species as a function of pressure in a pyrolite melt. We find that with increasing pressure, the abundance of CO2and CO3species decreases at the expense of CO4and complex oxo-carbon polymers (CxOy) displaying multiple C-C bonds. We anticipate that polymerized oxo-carbon species were a significant reservoir for carbon in the terrestrial magma ocean. The presence of Fe-C clusters suggests that upon segregation, Fe-rich metal may partition a significant fraction of carbon from the silicate liquid, leading to carbon transport into the Earth's core.