Date: 30th April 2021
Speaker: Dr Manabu Shiraiwa from University of California, Irvine
Title: "Modeling consortium for chemistry of indoor environments (MOCCIE): integrating chemical processes from molecular to room scales"
Abstract: I present on the development of the MOCCIE that connects models over a range of spatial and temporal scales, from molecular to room scales and from sub-nanosecond to days, respectively. Our modeling approaches include molecular dynamics simulations, kinetic process modeling, gas-phase chemistry modeling, organic aerosol modeling, and computational fluid dynamics simulations. These models are applied to investigate ozone reactions with skin and clothing, oxidation of volatile organic compounds and formation of secondary organic aerosols, and mass transport and partitioning of indoor species to surfaces. This development establishes a framework to integrate different modeling tools and experimental measurements, opening up an avenue for development of comprehensive and integrated models with representations of various chemistry in indoor environments.