Computational Investigation of DMSD Production from Volatile Methylsiloxanes and Hydroxyl Radicals

Date

7/12/2021

Journal Title

Journal ISSN

Volume Title

Publisher

50th International Conference on Environmental Systems

Abstract

Dimethylsilanediol (DMSD) is a persistent contaminant in the water processing assembly of the International Space Station (ISS). A computational investigation of a proposed mechanism for the formation of DMSD from volatile methylsiloxanes (VMS) and hydroxyl radicals (�OH) is presented in this paper. Electronic structure calculations are employed to test the assumptions of the Muirhead, et. al (2018) model that all mechanism steps proceed to completion. The calculated thermodynamic properties of the mechanism are used to further refine the model of Muirhead, et. al (2018) and provide chemical insight into formation of DMSD on board the ISS. Recommendations for trace contaminant control are discussed.

Description

Kelsey Stocker, Suffolk University
Brooke Bonar, Suffolk University
Mary Siriboe, University of Rochester
ICES300: Environmental Control & Life Support Systems (ECLSS) Modeling and Test Correlations
The 50th International Conference on Environmental Systems was held virtually on 12 July 2021 through 14 July 2021.

Keywords

Dimethylsilanediol, DMSD, International Space Station, volatile methylsiloxanes, VMS

Citation