Exploiting precise physical chemistry of Earth's and planets' atmosphere by molecular theory and computation

• Project/Area Number: 20550019
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: Tokyo Metropolitan University
• Principal Investigator: HASHIMOTO Kenro Tokyo Metropolitan University, 理工学研究科, 准教授 (40202254)
• Co-Investigator(Kenkyū-buntansha): KASAI Yasuko 情報通信研究機構, 電磁波計測研究センター, 主任研究員 (60281630)
• Project Period (FY): 2008 – 2010
• Project Status: Completed (Fiscal Year 2010)
• Budget Amount: ¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000); Fiscal Year 2010: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2009: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2008: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
• Keywords: 分子理論 / 分子計算 / 大気シミュレーション / 大気化学 / 原子・分子物理 / 大気現象 / 地球化学 / 惑星探査

Research Abstract

We have developed the computational procedure and object-oriented software of especially the anharmonic molecular vibrations to precisely study the atmospheric physical chemistry. The global distribution of O_2-H_2O complex was simulated using the result of molecular computations. The distribution of the complex follows that of water vapour in the troposphere and seems inversely proportional to temperature in the lower stratosphere. Preliminary estimates at the surface show the amount of the complex is comparable to CO or N_2O, ranking water vapour complexes among the ten most abundant species in the boundary layer.

Research Products

• [Journal Article] The H_2O-O_2 water vapour complex in the Earth's atmosphere (2011)
  • Author(s): Y. Kasai, E. Dupy, R. Saito, K. Hashimoto, A. Sabu, S. Kondo, Y. Sumiyoshi, Y. Endo
  • Journal Title: Atmos.Chem.Phys.Discuss. 11 Pages: 10069-10086
  • Peer Reviewed
• [Journal Article] The H_2O-O_2 water vapour complex in the Earth's atmosphere (2011)
  • Author(s): Y.Kasai, E.Dupy, R.Saito, K.Hashimoto, et al
  • Journal Title: Atmos.Chem.Phys.Discuss. Volume: 11 Pages: 10069-10086
  • Peer Reviewed
• [Journal Article] Measurement of the pressure broadening coefficient of the 625 GHz transition of H_2O_2 in the sub-millimeter-wave region (2010)
  • Author(s): T.O. Sato, A. Mizoguchi, J. Mendrok, H. Kanamori, Y. Kasai
  • Journal Title: Journal of Quantitative Spectroscopy & Radiative Transfer 111 Pages: 821-825
  • Peer Reviewed
• [Journal Article] Influence of CO_2 line profiles on radiative and radiative-convective equilibrium states of the Venus lower atmosphere (2010)
  • Author(s): M. Takagi, K. Suzuki, H. Sagawa, P. Baron, J. Mendrok, Y. Kasai, Y. Matsuda
  • Journal Title: J.Geophys.Res.
  • Peer Reviewed
• [Journal Article] Measurement of the pressure broadening coefficient of the 625 GHz transition of H202 in the sub-millimeter-wave region (2010)
  • Author(s): T.O.Sato, A.Mizoguchi, J.Mendrok, H.Kanamori, Y.Kasai
  • Journal Title: Journal of Quantitative Spectroscopy & Radiative Transfer 111 Pages: 821-825
  • Peer Reviewed
• [Journal Article] HO_2 measurements in the stratosphere and the mesosphere from the sub-millimeter limb sounder Odin/SMR (2009)
  • Author(s): P. Baron, E. Dupuy, J. Urban, D.P. Murtagh, P. Eriksson, Y. Kasai
  • Journal Title: Int.J.Remote Sensing 30 Pages: 4195-4208
  • Peer Reviewed
• [Journal Article] HO_2 measurements in the stratosphere and the mesosphere from the sub-millimeter limb sounder Odin/SMR (2009)
  • Author(s): P.Baron, E.Dupuy, J.Urban, D.P.Murtagh, P.Eriksson, Y.Kasai
  • Journal Title: Int.J.Remote Sensing 30 Pages: 4195-4208
  • Peer Reviewed
• [Journal Article] Chemistry of sprite discharges through ion-neutral reactions (2008)
  • Author(s): Y. Hiraki, Y. Kasai, H. Fukunishi
  • Journal Title: Atmos.Chem.Phys. 8(14) Pages: 3919-3928
  • Peer Reviewed
• [Journal Article] Precise measurement of pressure broadening parameters for water vapor with a terahertz time-domain spectrometer (2008)
  • Author(s): H. Hoshina, T. Seta, T. Iwamoto, I. Hosako, C. Otani, Y. Kasai
  • Journal Title: J.Quant.Spectrosc.Radiat.Transfer 109(12-13) Pages: 2303-2314
  • Peer Reviewed
• [Journal Article] Pressure broadening coefficients of the water vapor lines at 556.936 and 752.033 GHz (2008)
  • Author(s): T. Seta, H. Hoshina, Y. Kasai I. Hosako, C. Otani, S. Lobow, J. Urban, M. Ekstrom, P. Eriksson, D. Murtagh
  • Journal Title: J.Quant.Spectrosc.Radiat.Transfer 109(1) Pages: 144-150
  • Peer Reviewed
• [Journal Article] CO measurements from the ACE-FTS satellite instrument : data analysis and validation using ground-based, airborne and spaceborne observations (2008)
  • Author(s): C. Clerbaux, M. George, S. Turquety, K.A. Walker, B. Barret, P. Bernath, C. Boone, T. Borsdorff, J.P. Cammas, V. Catoire, M. Coffey, P.-F. Coheur, M. Deeter, M. De Maziere, J. Drummond, P. Duchatelet, E. Dupuy, R. de Zafra, F. Eddounia, D.P. Edwards, L. Emmons, B. Funke, J. Gille, D.W.T. Griffith, J. Hannigan, F. Hase, M. Hopfner, N. Jones, A. Kagawa, Y. Kasai I. Kramer, E. Le Flochmoen, N.J. Livesey, M. Lopez-Puertas, M. Luo, E. Mahieu, D. Murtagh, P. Nedelec, A. Pazmino, H. Pumphrey, P. Ricaud, C.P. Rinsland, C. Robert, M. Schneider, C. Senten, G. Stiller, A. Strandberg, K. Strong, R. Sussmann, V. Thouret, J. Urban, A. Wiacek
  • Journal Title: Atmos.Chem.Phys. 8(9) Pages: 2569-2594
  • Peer Reviewed
• [Journal Article] Validation of ACE-FTS v2.2 methane profiles from the upper troposphere to the lower mesosphere (2008)
  • Author(s): M. De Maziere, C. Vigouroux, P.F. Bernath, P. Baron, T. Blumenstock, C. Boone, C. Brogniez, V. Catoire, M. Coffey, P. Duchatelet, D. Griffith, J. Hannigan, Y. Kasai, I. Kramer, N. Jones, E. Mahieu, G.L. Manney, C. Piccolo, C. Randall, C. Robert, C. Senten, K. Strong, J. Taylor, C. Tetard, K.A. Walker, S. Wood
  • Journal Title: Atmos.Chem.Phys. 8(9) Pages: 2421-2435
  • Peer Reviewed
• [Journal Article] Chemistry of sprite discharges through ion-neutral reactions (2008)
  • Author(s): Y. Hiraki, Y. Kasai, H. Fukunishi
  • Journal Title: Atmos. Chem. Phys. 8(14) Pages: 3919-3928
  • Peer Reviewed
• [Journal Article] Precise measurement of pressure broadening parameters for water vapor with a terahertz time-domain spectrometer (2008)
  • Author(s): H. Hoshina, T. Seta, T. Iwamoto, I. Hosako, C. Otani, Y. Kasai
  • Journal Title: J. Quant. Spectrosc. Radiat. Transfer 109(12-13) Pages: 2303-2314
  • Peer Reviewed
• [Journal Article] Pressure broadening coefficients of the water vapor lines at 556.936 and 752.033 GHz (2008)
  • Author(s): T. Seta, H. Hoshina, Y. Kasai, et al.
  • Journal Title: J. Quant. Spectrosc. Radiat. Transfer 109(1) Pages: 144-150
  • Peer Reviewed
• [Journal Article] CO measurements from the ACE-FTS satellite instrument : data analysis and validation using ground-based, airborne and spaceborne observations (2008)
  • Author(s): C. Clerbaux, et al.
  • Journal Title: Atmos. Chem. Phys. 8(9) Pages: 2569-2594
  • Peer Reviewed
• [Journal Article] Validation of ACE-FTS v2.2 methane profiles from the upper troposphere to the lower mesosphere (2008)
  • Author(s): M. DeMaziere, et al.
  • Journal Title: Atmos. Chem. Phys. 8(9) Pages: 2421-2435
  • Peer Reviewed
• [Journal Article] Influence of C02 line profiles on radiative and radiative-convective equilibrium states of the Venus lower atmosphere
  • Author(s): Takagi, M., K.Suzuki, H.Sagawa, P.Baron, J.Mendrok, Y.Kasai, Y.Matsuda
  • Journal Title: J.Geophys.Res., doi : 10.1029/2009JE003488 (In press)
  • Peer Reviewed
• [Presentation] 分子理論・分子計算を基盤とした大気科学シミュレーターの開発 (2010)
  • Author(s): 橋本健朗・小山暁
  • Organizer: 第16回大気化学討論会
  • Place of Presentation: 八王子市、首都大学東京
• [Presentation] JEM/SMILESで観測した成層圏・中間圏におけるBrOx日変化の化学 (2010)
  • Author(s): 笠井康子、B.-M. Sinhuber, P. Baron, 佐川英夫, M. Sinhuber, J. Mendrok, J. Urban, D. Murtagh, SMIES Mission team.
  • Organizer: 第16回大気化学討論会
  • Place of Presentation: 八王子市、首都大学東京
• [Presentation] 真鍋武嗣JEM/SMILESで観測した成層圏・中間圏HO_2の日変化 (2010)
  • Author(s): 津嶋恭宏、笠井康子、佐川英夫
  • Organizer: 第16回大気化学討論会
  • Place of Presentation: 八王子市、首都大学東京
• [Presentation] JEM/SMILESによる成層圏・中間圏ClOの観測とその精度 (2010)
  • Author(s): 佐藤知紘、小野寺悠、B. Philippe、E. Dupuy、真鍋武嗣、佐川英夫、J. Urban、D. Murtagh、N. Livesey、金森英人、北和之、笠井康子
  • Organizer: 第16回大気化学討論会
  • Place of Presentation: 八王子市、首都大学東京
• [Presentation] 分子理論・分子計算を基盤とした大気科学シミュレーターの開発 (2010)
  • Author(s): 橋本健朗
  • Organizer: 第16回 大気化学討論会
  • Place of Presentation: 首都大・南大沢キャンパス
• [Presentation] JEM/SMILESで観測した成層圏・中間圏におけるBrOx日変化の化学 (2010)
  • Author(s): 笠井康子
  • Organizer: 第16回 大気化学討論会
  • Place of Presentation: 首都大・南大沢キャンパス
• [Presentation] 気相水クラスター・水和クラスター (2009)
  • Author(s): 橋本健朗
  • Organizer: 豊田理化学研究所特別課題研究「核形成の学理と応用」第一回研究会
  • Place of Presentation: 八王子市、首都大学東京
  • Year and Date: 2009-05-16
• [Remarks] ホームページ等
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  • URL: http://smiles.nict.go.jp/index-e.html
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  • URL: http://www.tc.center.metro-u.ac.jp