神戸大学附属図書館デジタルアーカイブ
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https://hdl.handle.net/20.500.14094/90004051
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2024-04-30
10:28 集計
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90004051 (fulltext)
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3.89 MB
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メタデータID
90004051
アクセス権
open access
出版タイプ
Accepted Manuscript
タイトル
Meteorite impacts on ancient oceans opened up multiple NH3 production pathways
著者
Shimamura, Kohei ; Shimojo, Fuyuki ; Nakano, Aiichiro ; Tanaka, Shigenori
著者ID
A1705
研究者ID
1000060772647
KUID
https://kuid-rm-web.ofc.kobe-u.ac.jp/search/detail?systemId=35fc37f823944137520e17560c007669
著者名
Shimamura, Kohei
島村, 孝平
シマムラ, コウヘイ
所属機関名
システム情報学研究科
著者名
Shimojo, Fuyuki
著者名
Nakano, Aiichiro
著者ID
A0271
研究者ID
1000010379480
KUID
https://kuid-rm-web.ofc.kobe-u.ac.jp/search/detail?systemId=c07e328da483e766520e17560c007669
著者名
Tanaka, Shigenori
田中, 成典
タナカ, シゲノリ
所属機関名
システム情報学研究科
収録物名
Physical Chemistry Chemical Physics
巻(号)
19(18)
ページ
11655-11667
出版者
Royal Society of Chemistry
刊行日
2017-05-14
公開日
2018-06-01
抄録
A recent series of shock experiments by Nakazawa et al. starting in 2005 (e.g. [Nakazawa et al., Earth Planet. Sci. Lett., 2005, 235, 356]) suggested that meteorite impacts on ancient oceans would have yielded a considerable amount of NH3 to the early Earth from atmospheric N2 and oceanic H2O through reduction by meteoritic iron. To clarify the mechanisms, we imitated the impact events by performing multi-scale shock technique-based ab initio molecular dynamics in the framework of density functional theory in combination with multi-scale shock technique (MSST) simulations. Our previous simulations with impact energies close to that of the experiments revealed picosecond-order rapid NH3 production during shock compression [Shimamura et al., Sci. Rep., 2016, 6, 38952]. It was also shown that the reduction of N2 took place with an associative mechanism as seen in the catalysis of nitrogenase enzymes. In this study, we performed an MSST-AIMD simulation to investigate the production by meteorite impacts with higher energies, which are closer to the expected values on the early Earth. It was found that the amount of NH3 produced further increased. We also found that the increased NH3 production is due to the emergence of multiple reaction mechanisms at increased impact energies. We elucidated that the reduction of N2 was not only attributed to the associative mechanism but also to a dissociative mechanism as seen in the Haber-Bosch process and to a mechanism through a hydrazinium ion. The emergence of these multiple production mechanisms capable of providing a large amount of NH3 would support the suggestions from recent experiments much more strongly than was previously believed, i.e., shock-induced NH3 production played a key role in the origin of life on Earth.
カテゴリ
システム情報学研究科
学術雑誌論文
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©2017 The PCCP Owner Societies
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資源タイプ
journal article
言語
English (英語)
ISSN
1463-9076
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eISSN
1463-9084
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関連情報
DOI
https://doi.org/10.1039/c7cp00870h
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