The role of charge in microdroplet redox chemistry.

ABSTRACT: In charged water microdroplets, which occur in nature or in the lab upon ultrasonication or in electrospray processes, the thermodynamics for reactive chemistry can be dramatically altered relative to the bulk phase. Here, we provide a theoretical basis for the observation of accelerated chemistry by simulating water droplets of increasing charge imbalance to create redox agents such as hydroxyl and hydrogen radicals and solvated electrons. We compute the hydration enthalpy of OH^- and H⁺ that controls the electron transfer process, and the corresponding changes in vertical ionization energy and vertical electron affinity of the ions, to create OH^• and H^• reactive species. We find that at ~ 20 - 50% of the Rayleigh limit of droplet charge the hydr

SUBMITTER: Heindel JP 

PROVIDER: S-EPMC11519639 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature