S
1
Supporting Information for
:
Comparison of Isoprene Chemical Mechanisms with Chamber and Field
Observations
William. H. Brune
1*
, Tran B. Nguyen
2†
, Paul O. Wennberg
2,3
, John D. Crounse
2
, David O.
Miller
1
1
Department of Meteorology and Atmospheric Science, Pennsylvania State University,
University Park, PA, 16802, USA.
2
Division of Geological and Planetary Sciences, California Institute of Technology,
Pasadena, California, 91125, USA.
3
Division of Engineering and Applied Science, California Institute of Technology,
Pasadena, California, 91125, USA
†
University of California, Davis, Davis, CA, 95616, USA.
*
Corresponding author email address: whb2@psu.edu
Contents of this file
Data
access information
Figure
S1
Pi
cture o
f GTHO
S
in between
the two bags in the
Caltech chamber
Figu
r
es
S2
-
S8
Time series plots for
seven experiments not shown in the main text
Figures S9
-
S10
Agreement between
observed
and modeled
OH or isoprene
products
for SOAS
as a func
tion of
model
dilution and integrat
ion times
Table S1
FIXCIT
instru
m
e
nts, measurement properties, and r
eferences
References
S
2
Data
access information
Data files for each
instrument
were submitted to the archive by the individual
research groups during the field experiment and, for some data sets, were revised later.
The data sets are in the icart
t
format (
NASA ESDS, 2024
), which are text files with
descriptive headers.
The FIXCIT data are publicly available at the ICARUS database:
https://icarus.ucdavis.edu/experimentset/162
.
The ICARUS archive is explained in the
following:
https://pubs.acs.org/doi/full/10.1021/acsearthspacechem.3c00043
.
The SOAS
data are publicly available at the NOAA Chemical Sciences Laboratory database:
https://csl.noaa.gov/groups/csl7/measurements/2013senex/Ground/DataDownload/
.
The
icart
t
files were converted to Matlab mat files and then concatenated into a single matrix
for data analysis. These data were then prepared
for further analysis by removing
calibration and maintenance periods.
The model output from the F0AM model framework is save
d
as a Matlab matrix.
It includes the initial mixing ratios, the modeled output mixing ratios for ~6000 chemical
species,
and
react
ion rate
coefficients
for ~16,000 chemical reactions in 2
-
minute time
steps.
The F0AM model, chemical mechanisms, and model input file in Matlab format
are available at Penn State Data Commons (
https://doi.org/10.26208/1HV3
-
4S20
).