Impact of insertion reaction of O(1D) into the carbonic acid molecule in the atmosphere of Earth and Mars

Ghoshal, Sourav

Permalink

https://hdl.handle.net/2142/97035 Copy

Description

Title

Impact of insertion reaction of O(1D) into the carbonic acid molecule in the atmosphere of Earth and Mars

Author(s)

Ghoshal, Sourav

Contributor(s)

Hazra, Montu K.

Issue Date

2017-06-23

Keyword(s)

Planetary atmospheres

Abstract

In this talk, we present the energetics and kinetics of the insertion reaction of the $O(^1D)$ into the $H_2CO_3$ molecule that finally produces the percarbonic acid $[H_2C(O)O_3]$ molecule $(H_2CO_3 + O(^1D)rightarrow H_2C(O)O_3)$. The rate constants have been calculated by the Variable-Reaction-Coordinate Variational Transition State Theory $(VRC-VTST)$. From our results, we show that the rate constants of the insertion reaction are significantly higher than the rate constants associated with the $H_2O$-assisted $H_2CO_3$ decomposition $(H_2CO_3 + H_2O rightarrow CO_2 + 2H_2O)$, acetic acid $(AA)$-assisted $H_2CO_3$ decomposition $(H_2CO_3 + AA rightarrow CO_2 + H_2O + AA)$ and OH radical-initiated $H_2CO_3$ degradation reaction $(H_2CO_3 + OH^{bf .} rightarrow HCO_3^{bf .} + H_2O)$ $-$which are currently assumed to be the potentially important reaction channels to interpret the atmospheric loss of the $H_2CO_3$ molecule in the Earth. Finally, we also discuss the potential impact of the H$_2$O-assisted $H_2CO_3$ decomposition reaction, OH radical-initiated $H_2CO_3$ degradation reaction and the above-mentioned insertion reaction on equal footing toward the loss of $H_2CO_3$ molecule, especially, in the surface of Mars._x000d_

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/97035

DOI

https://doi.org/10.15278/isms.2017.FA10

Copyright and License Information

Copyright 2017 Sourav Ghoshal

Owning Collections