This directory contains data associated with the manuscript: Investigating Diesel Engines as an Atmospheric Source of Isocyanic Acid in Urban Areas 

Authors: Shantanu H. Jathar1, Christopher Heppding1, Michael F. Link2, Delphine K. Farmer2, Ali Akherati1, Michael J. Kleeman3, Joost A. de Gouw4, 5, Patrick R. Veres4, 5, and James M. Roberts4

Affiliations: 1 Department of Mechanical Engineering, Colorado State University, Fort Collins, CO, USA, 80523
2 Department of Chemistry, Colorado State University, Fort Collins, CO, USA, 80523
3 Department of Civil and Environmental Engineering, University of California Davis, Davis, CA, USA, 95616
4 NOAA Earth System Research Laboratory, Chemical Sciences Division, Boulder, CO, USA, 80305
5 Cooperative Institute for Research in Environmental Sciences, University of Colorado, Boulder, CO, USA, 80305
Correspondence to: Shantanu H. Jathar (shantanu.jathar@colostate.edu)

Funding Sources: We would like to thank Dr. Daniel Olsen for inputs on experimental design, Kirk Evans for technical support and undergraduate researcher Liam Lewane for engine test support during the study. We would also like to thank DCL International Inc. for donating SCR catalysts for our study and R. Suarez-Bertoa and C. Astorga for sharing HNCO emissions data from their published study. D. K. Farmer acknowledges an Arnold and Mabel Beckman Young Investigator Award for funding the laboratory HNCO measurements.

Abstract: Isocyanic acid (HNCO), an acidic gas found in tobacco smoke, urban environments and biomass burning-affected regions, has been linked to adverse health outcomes. Gasoline- and diesel-powered engines and biomass burning are known to emit HNCO and hypothesized to emit precursors such as amides that can photochemically react to produce HNCO in the atmosphere. Increasingly, diesel engines in developed countries like the United States are required to use Selective Catalytic Reduction (SCR) systems to reduce tailpipe emissions of oxides of nitrogen. SCR chemistry is known to produce HNCO as an intermediate product, and SCR systems have been implicated as an atmospheric source of HNCO. In this work, we measure HNCO emissions from an SCR system-equipped diesel engine and, in combination with earlier data, use a three-dimensional chemical transport model (CTM) to simulate the ambient concentrations and source/pathway contributions to HNCO in an urban environment. Engine tests were conducted at three different engine loads, using two different fuels and at multiple operating points. HNCO was measured using an acetate chemical ionization mass spectrometer. The diesel engine was found to emit primary HNCO (3-90 mg kg-fuel-1) but we did not find any evidence that the SCR system or other aftertreatment devices (i.e., oxidation catalyst and particle filter) produced or enhanced HNCO emissions. The CTM predictions compared well with the only available observational data sets for HNCO in urban areas but under-predicted the contribution from secondary processes. The comparison implied that diesel-powered engines were the largest source of HNCO in urban areas. The CTM also predicted that daily-averaged concentrations of HNCO reached a maximum of ~110 pptv but were an order of magnitude lower than the 1 ppbv level that could be associated with physiological effects in humans. Precursor contributions from other combustion sources (gasoline and biomass burning) and wintertime conditions could enhance HNCO concentrations but need to be explored in future work. 

Data inventory: 
1. summary_experimental_data: contains summary tables for time, concentrations and errors in concentrations from the different instruments/data acquisition systems. 
2. HNCO_model_simulations: contains model results from 24 km and 8 km simulations performed over California and the South Coast Air Basin respectively.
3. codebook: contains definitions of the variables used in  HNCO_model_simulations.

summary_experimental_data files: 
1. CIMS_Summary.csv	
2. Error.csv		
3. Licor_Summary.csv
4. Concentrations.csv	
5. FTIR_Summary.csv	
6. Summary.csv
7. DEVX_Summary.csv	
8. Labview_Summary.csv	
9. Time_Summary.csv

HNCO_model_simulations
1. Bakersfield_24km.csv		
2. Longitude_24km_(degrees).csv
3. Fresno_24km.csv			
4. Longitude_8km_(degrees).csv
5. HNCO_high_24_km_(ppm).csv	
6. LosAngeles_24km.csv
7. HNCO_high_8_km_(ppm).csv	
8. Los_Angeles_8km.csv
9. HNCO_low_24km_(ppm).csv		
10. Pasadena_8km.csv
11. HNCO_low_8_km_(ppm).csv		
12. Riverside_24km.csv
13. Latitude_24km_(degrees).csv	
14. Sacramento_24km.csv
15. Latitude_8km_(degrees).csv	
16. Summary.csv
