SO3とHONO2の反応と大気中の硫黄分割への影響
Bo Long1, Yu Xia1, Junwei Lucas Bao2
1College of Materials Science and Engineering, Guizhou Minzu University, 550025 Guiyang, China.
Journal of the American Chemical Society
|May 16, 2022
まとめ
硫黄三酸化物 (SO3) は,平流圏で窒素酸 (HONO2) と反応し,硫黄の除去のための新しい経路を提供します. この反応により,新製品が形成され,平流層の硫黄分割に影響を与える可能性があります.
科学分野:
- 大気化学
- 環境科学
- 化学運動学
背景:
- 硫黄三酸化物 (SO3) は,硫黄循環における主要な大気中産物である.
- 伝統的な水蒸気によるSO3除去は,より高い高度では効果が低い.
- ストラトスフィアのSO3の蓄積は,大気化学への影響を及ぼします.
研究 の 目的:
- 硫黄三酸化物と窒素酸 (SO3 + HONO2) の反応運動を研究する.
- ストラトスフィアのこの反応の大気的意義を決定する.
- 新しい反応産物とその影響について調べる.
主な方法:
- 移行状態理論 (W2X//DF-CCSD(T) -F12b/jun'-cc-pVDZ) と変数移行状態理論 (M08-HX/MG3S) を組み合わせた二次元理論戦略を使用した.
- システム固有の量子ライス-ラムスペルガー-カッセル (SS-QRRK) 理論を用いて圧力依存速度定数を計算した.
- SO3 + HONO2反応の1バー以下で分析された落下効果.
主要な成果:
- SO3 + HONO2反応は,1バー未満で有意な落下効果を示す.
- この反応は,SO3 + 2H2Oと競合する,平流層におけるSO3の潜在的な除去経路である.
- この反応は,HONO2をトロポスフィアから除去し,OH+HONO2と競合する.
- 硫黄の分断とオルガンスルファートの形成に影響を与える,予期せぬ短命な製品が特定されました.
結論:
- SO3 + HONO2反応は,特に平流圏では,重要な大気プロセスです.
- この反応は,平流層の硫黄除去のための新しいメカニズムを提供します.
- 新しい製品の形成は,硫黄の循環とオルガノスルファートの生産を理解するための意味を持っています.
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