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Silicate-mediated interstellar water formation: A theoretical study.

Germán Molpeceres1, Albert Rimola2, Cecilia Ceccarelli3

  • 1Instituto de Estructura de la Materia, IEM-CSIC, Serrano 123, E-28006, Madrid, Spain.

Monthly Notices of the Royal Astronomical Society
|June 4, 2019
PubMed
Summary
This summary is machine-generated.

Interstellar water ice formation is explained by atomic oxygen reacting with hydrogen on silicate dust grains. Quantum tunneling and surface diffusion are key, with OH and H2O formation being the rate-limiting steps.

Keywords:
ISM: atomsISM: moleculesastrochemistrymolecular processes

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Area of Science:

  • Astrochemistry
  • Solid-state chemistry
  • Theoretical chemistry

Background:

  • Water ice is abundant in the interstellar medium (ISM), but gas-phase reactions alone cannot explain its high concentration.
  • Surface chemical reactions on interstellar grains are considered the primary pathway for interstellar water ice formation.
  • The hydrogenation of atomic oxygen (2H + O → H2O) on grain surfaces is a proposed mechanism for water synthesis.

Purpose of the Study:

  • To investigate the formation of interstellar water ice via the hydrogenation of atomic oxygen on a crystalline Mg2SiO4 surface.
  • To simulate the initial layer of water ice formation on the silicate core of interstellar dust grains.
  • To determine the energetic barriers and kinetic pathways for water formation on interstellar silicate surfaces.

Main Methods:

  • Theoretical calculations were performed to study the adsorption of atomic oxygen on the crystalline (010) Mg2SiO4 surface.
  • The formation of a peroxo (O2^2-) group was identified as the initial step in oxygen adsorption.
  • Calculations included adsorption, diffusion of hydrogen atoms, and subsequent reactions to form OH and H2O, considering quantum tunneling effects.

Main Results:

  • Atomic oxygen adsorption on Mg2SiO4 forms a peroxo group.
  • Hydrogen atom diffusion on the surface has low energy barriers (4-6 kcal mol-1).
  • The formation of OH and H2O exhibit significant energy barriers (22-23 kcal mol-1), indicating they are the rate-limiting steps. Quantum tunneling is crucial for these reactions.

Conclusions:

  • The hydrogenation of atomic oxygen on silicate surfaces, particularly Mg2SiO4, is a viable pathway for interstellar water ice formation.
  • Surface diffusion of hydrogen is facile, but the chemical reactions forming OH and H2O are slow and require quantum tunneling.
  • The theoretical findings have significant implications for understanding the chemical evolution and composition of the interstellar medium.