DOI: 10.5281/zenodo.11583828
title: Measurements and model simulations of iodine monoxide (IO) radical, water vapor (H2O), nitrogen dioxide (NO2) radical, formaldehyde (HCHO), gaseous elemental mercury (Hg0), and oxidized mercury (HgII) at Storm Peak Laboratory, Colorado, during April 2022

description: This dataset was compiled to accompany the manuscript Lee et al., titled "Elevated Tropospheric Iodine over the Central Continental United States: Is Iodine a Major Oxidant of Atmospheric Mercury?", submitted to AGU Geophysical Research Letters.

 

file01 contains two example spectral proofs for iodine monoxide (IO) radical measured by the University of Colorado Multi-AXis Differential Optical Absorption Spectroscopy (CU MAX-DOAS) instrument at Storm Peak Laboratory, CO (SPL; 3220 meters above sea level; 40.455 degrees North; 106.745 degrees West) during April 2022.

file02 contains oxygen collision-induced absorption (O2-O2) slant column densities (SCDs) measured in a spectral fit window from 350 to 388 nm by the CU MAX-DOAS instrument at SPL from April 1 to April 30, 2022.

file03 contains O2-O2 SCDs measured in a spectral fit window from 425 to 490 nm by the CU MAX-DOAS instrument at SPL from April 1 to April 30, 2022.

file04 contains IO SCDs measured in a spectral fit window from 417.5 to 438 nm by the CU MAX-DOAS instrument at SPL from April 1 to April 30, 2022.

file05 contains water vapor (H2O) SCDs measured in a spectral fit window from 425 to 490 nm by the CU MAX-DOAS instrument at SPL from April 1 to April 30, 2022.

file06 contains nitrogen dioxide (NO2) radical SCDs measured in a spectral fit window from 425 to 490 nm by the CU MAX-DOAS instrument at SPL from April 1 to April 30, 2022.

file07 contains formaldehyde (HCHO) SCDs measured in a spectral fit window from 328,5 to 359 nm by the CU MAX-DOAS instrument at SPL from April 1 to April 30, 2022.

file08 contains the profiles of pressure, temperature, O2-O2, ozone (O3), NO2, and H2O derived from ECMWF CAMS reanalysis (April 2022 at SPL) and used in the radiative transfer model McArtim3 to calculate weighting functions for the trace gas profile inversions of IO, H2O, NO2, and HCHO.

file09 contains the a priori profiles used for the IO profile inversions during April 2022 at SPL. One profile assumes a "flat" profile shape with a constant volume mixing ratio of 0.10 pptv throughout the atmosphere. The other profile is adapted from the GEOS-Chem April 2022 daytime (SZA < 85) average.

file10 contains the a priori profile used for the H2O profile inversions during April 2022 at SPL. The profile is adapted from the GEOS-Chem April 2022 daytime (SZA < 85) average.

file11 contains the a priori profile used for the NO2 profile inversions during April 2022 at SPL. The profile is adapted from the GEOS-Chem April 2022 daytime (SZA < 85) average.

file12 contains the a priori profile used for the HCHO profile inversions during April 2022 at SPL. The profile is adapted from the GEOS-Chem April 2022 daytime (SZA < 85) average.

file13 contains the IO tropospheric vertical column densities (VCDtrop; surface to 12 km), volume mixing ratios near instrument altitude (VMRinstr), and degrees of freedom (DoF) measured by the CU MAX-DOAS instrument at SPL from April 1 to April 30, 2022.

file14 contains the H2O VCDtrop, VMRinstr, and DoF measured by the CU MAX-DOAS instrument at SPL from April 1 to April 30, 2022.

file15 contains the NO2 VCDtrop, VMRinstr, and DoF measured by the CU MAX-DOAS instrument at SPL from April 1 to April 30, 2022.

file16 contains the HCHO VCDtrop, VMRinstr, and DoF measured by the CU MAX-DOAS instrument at SPL from April 1 to April 30, 2022.

file17 contains GEOS-Chem simulated temperature, relative humidity, IO VCDtrop & VMRinstr, H2O VCDtrop & VMRinstr, NO2 VCDtrop & VMRinstr, HCHO VCDtrop & VMRinstr, and bromine monoxide (BrO) radical VCDtrop & VMRinstr at SPL from April 1 to April 30, 2022.

file18 contains the gaseous elemental mercury (Hg0) measured by the Utah State University dual-channel mercury system at SPL from April 1 to April 30, 2022.

file19 contains the oxidized mercury (HgII) measured by the Utah State University dual-channel mercury system at SPL from April 1 to April 30, 2022.

file20 contains the GEOS-Chem simulated Hg0 and HgII at SPL from April 1 to April 30, 2022.

file21 contains the profiles of pressure, temperature, relative humidity, BrO, bromine atom (Br), methane (CH4), chlorine monoxide (ClO) radical, chlorine atom (Cl), carbon monoxide (CO), Hg0, peroxy radical (HO2), IO, iodine atom (I), NO2, hydroxyl radical (OH), and O3 used as constraints for the gas-phase mercury box model. All profiles except IO and I are adapted from the GEOS-Chem April 2022 daytime (SZA < 85) average. The IO profile was calculated by scaling the GEOS-Chem April 2022 daytime (SZA < 85) average below 12 km by the average observed IO VCDtrop during April 2022. The I atom profile was calculated by multiplying the scaled IO profile by the ratio of unscaled I / unscaled IO profiles from GEOS-Chem.

 

file22 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file23 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file24 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file25 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file26 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file27 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file28 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file29 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file30 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file31 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file32 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file33 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file34 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file35 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file36 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file37 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file38 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file39 contains the time-resolved gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

 

file40 contains a profile of the gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file41 contains a profile of the gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file42 contains a profile of the gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file43 contains a profile of the gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file44 contains a profile of the gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file45 contains a profile of the gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file46 contains a profile of the gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file47 contains a profile of the gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file48 contains a profile of the gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgOH as reference for the B-value in the HgI equilibrium coefficient.

file49 contains a profile of the gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file50 contains a profile of the gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file51 contains a profile of the gas-phase mercury box model output assuming that HgI forms at half the rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file52 contains a profile of the gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file53 contains a profile of the gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file54 contains a profile of the gas-phase mercury box model output assuming that HgI forms at the same rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file55 contains a profile of the gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 8 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file56 contains a profile of the gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 9.5 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.

file57 contains a profile of the gas-phase mercury box model output assuming that HgI forms at twice the rate as HgBr and that the Hg-I bond strength is 11 kcal / mol, using HgBr as reference for the B-value in the HgI equilibrium coefficient.