Modeling Indoor Inorganic Aerosol Concentrations During the ATHLETIC Campaign with IMAGES.

In 2018, the ATHLETIC campaign was conducted at the University of Colorado Dal Ward Athletic Center and characterized dynamic indoor air composition in a gym environment. Among other parameters, inorganic particle and gas-phase species were alternatingly measured in the gym's supply duct and weight room. The Indoor Model of Aerosols, Gases, Emissions, and Surfaces (IMAGES) uses the inorganic aerosol thermodynamic equilibrium model, ISORROPIA, to estimate the partitioning of inorganic aerosols and corresponding gases.

Simulating indoor inorganic aerosols of outdoor origin with the inorganic aerosol thermodynamic equilibrium model ISORROPIA.

Outdoor aerosols can transform and have their composition altered upon transport indoors. Herein, IMAGES, a platform that simulates indoor organic aerosol with the 2-dimensional volatility basis set (2D-VBS), was extended to incorporate the inorganic aerosol thermodynamic equilibrium model, ISORROPIA. The model performance was evaluated by comparing aerosol component predictions to indoor measurements from an aerosol mass spectrometer taken during the summer and winter seasons.

4D-Var Inversion of European NH Emissions Using CrIS NH Measurements and GEOS-Chem Adjoint With Bi-Directional and Uni-Directional Flux Schemes.

We conduct the first 4D-Var inversion of NH accounting for NH bi-directional flux, using CrIS satellite NH observations over Europe in 2016. We find posterior NH emissions peak more in springtime than prior emissions at continental to national scales, and annually they are generally smaller than the prior emissions over central Europe, but larger over most of the rest of Europe. Annual posterior anthropogenic NH emissions for 25 European Union members (EU25) are 25% higher than the prior emissions and very close (<2% difference) to other inventories.

A multiphase CMAQ version 5.0 adjoint.

We present the development of a multiphase adjoint for the Community Multiscale Air Quality (CMAQ) model, a widely used chemical transport model. The adjoint model provides location- and time-specific gradients that can be used in various applications such as backward sensitivity analysis, source attribution, optimal pollution control, data assimilation, and inverse modeling. The science processes of the CMAQ model include gas-phase chemistry, aerosol dynamics and thermodynamics, cloud chemistry and dynamics, diffusion, and advection.

Modeling Emissions and Ozone Air Quality Impacts of Future Scenarios for Energy and Power Production in the Rocky Mountain States.

This study examines air quality impacts of scenarios for energy production and use in 2030 across Colorado, northern New Mexico, Utah, and Wyoming. Scenarios feature contrasting levels of oil and gas production and shares of electricity from coal, natural gas, and renewables. Hourly emissions are resolved for individual power plants; oil and gas emissions are basin-specific.

Coupling of organic and inorganic aerosol systems and the effect on gas-particle partitioning in the southeastern US.

Several models were used to describe the partitioning of ammonia, water, and organic compounds between the gas and particle phases for conditions in the southeastern US during summer 2013. Existing equilibrium models and frameworks were found to be sufficient, although additional improvements in terms of estimating pure-species vapor pressures are needed. Thermodynamic model predictions were consistent, to first order, with a molar ratio of ammonium to sulfate of approximately 1.

Decreasing Aerosol Water Is Consistent with OC Trends in the Southeast U.S.

Water is a ubiquitous and abundant component of atmospheric aerosols. It influences light scattering, the hydrological cycle, atmospheric chemistry, and secondary particulate matter (PM) formation. Despite the critical importance of aerosol liquid water, mass concentrations are not well-known.

Differences between magnitudes and health impacts of BC emissions across the United States using 12 km scale seasonal source apportionment.

Recent assessments have analyzed the health impacts of PM2.5 from emissions from different locations and sectors using simplified or reduced-form air quality models. Here we present an alternative approach using the adjoint of the Community Multiscale Air Quality (CMAQ) model, which provides source-receptor relationships at highly resolved sectoral, spatial, and temporal scales.

Epoxide pathways improve model predictions of isoprene markers and reveal key role of acidity in aerosol formation.

Isoprene significantly contributes to organic aerosol in the southeastern United States where biogenic hydrocarbons mix with anthropogenic emissions. In this work, the Community Multiscale Air Quality model is updated to predict isoprene aerosol from epoxides produced under both high- and low-NOx conditions. The new aqueous aerosol pathways allow for explicit predictions of two key isoprene-derived species, 2-methyltetrols and 2-methylglyceric acid, that are more consistent with observations than estimates based on semivolatile partitioning.

Assessing near-field and downwind impacts of reactivity-based substitutions.

Three-dimensional chemical transport modeling of six different solvent substitution test scenarios was used to investigate possible transport effects of using volatile organic compound (VOC) reactivity scales for air quality management purposes with a particular focus on the northeastern United States. The primary issues analyzed are whether uses of reactivity-based substitutions adversely affect ozone concentrations downwind of the area in which they are applied and which reactivity scales appear most appropriate for areas where ozone transport between multiple cities is significant. VOC substitution scenarios were designed to assess biases in ozone metrics associated with substituting relatively highly reactive VOCs (as defined by the Maximum Incremental Reactivity [MIR] scale) associated with solvent use with less reactive VOCs that might be considered as possible substitutes.