フォルステライトガラス表面における水分子の分解メカニズム [Published online J. Comput. Chem. Jpn., 18, 164-165, by J-STAGE]

[Published online Journal of Computer Chemistry, Japan Vol.18, 164-165, by J-STAGE]
<Title:> フォルステライトガラス表面における水分子の分解メカニズム
<Author(s):> 久保　文音, 西澤　隼哉, 深澤　倫子
<Corresponding author E-Mill:> fukazawa(at)meiji.ac.jp
<Abstract:> To investigate the decomposition mechanisms of adsorbed H₂O molecules as a monolayer on the surface of forsterite glass, we performed molecular dynamics calculations. The decomposition phenomenon of H₂O molecules is observed at temperatures above 200 K. The equilibrium rate of the decomposed H₂O increases as the temperature increases and approaches 1.0 at temperatures above 500 K. The decomposed hydrogen forms MgO_xH_y or SiO₄H_z structures with MgO_x or SiO_z units in forsterite glass. The processes of decomposition and reformation of the structure units on the surface of forsterite glass have important implications for chemical evolution in interstellar spaces.
<Keywords:> Molecular dynamics calculation, Forsterite glass, Amorphous ice, Surface
<URL:> https://www.jstage.jst.go.jp/article/jccj/18/3/18_2019-0017/_article/-char/ja/

関連