Title: Dataset associated with 'Mineralogy-based anthropogenic combustion-iron inventory'

Associated publication: Rathod, S. D., Hamilton, D. S.,Mahowald, N. M., Klimont, Z., Corbett,J. J., & Bond, T. C. (2020). A mineralogy-based anthropogenic combustion-iron emission inventory. Journal of Geophysical Research: Atmospheres, 125, e2019JD032114. https://doi.org/10.1029/2019JD032114 

Author information:
Sagar Rathod
Department of Atmospheric Science, Colorado State University
sagar.rathod@colostate.edu

Co-authors:
Douglas Hamilton: Earth and Atmospheric Sciences Department, Cornell University, Ithaca, New York, USA
Natalie Mahowald: Earth and Atmospheric Sciences Department, Cornell University, Ithaca, New York, USA
James Corbett: College of Earth, Ocean, and Environment, University of Delaware, Newark, Delaware, USA
Zbigniew Klimont: International Institute for Applied Systems Analysis (IIASA), Laxenburg, Austria
Corresponding Author: Tami Bond: Department of Mechanical Engineering, Colorado State University, Fort Collins, Colorado, USA 

Funding: Department of Energy (DE-Sc0016362)


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This folder contains four sets of files:
1. SPEW (Bond et al., 2004 and updates therein): Region-specific technology and control divisions.
2. SPEW (Bond et al., 2004 and updates therein): Region- and technology-specific PM and Fe emission factors.
3. Emission files generated used in simulations in Sec. 2.3 in Rathod et al., (in review).
4. Modeled concentration and deposition files.
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1. SPEW (Bond et al., 2004 and updates therein): Region-specific technology and control divisions
File: Rathod_IronEmissions_JGR_SPEW_Splits.xls

The 'Fraction' column shows the region-specific fractional share of a Technology-Control combination for a Fuel combusted in a Sector. The sum of all Fraction values for a Fuel-Sector combination equals 1.
Negative fraction values are a result of a Balance calculation method and are mostly close to zero, so have negligible effect on emissions.
Technology definitions available from Bond et al., (2004) Bond, Tami C., et al. "A technology‐based global inventory of black and organic carbon emissions from combustion." Journal of Geophysical Research: Atmospheres 109.D14 (2004).
Coverage: Global
Year: 2010

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2. SPEW (Bond et al., 2004 and updates therein): Region- and technology-specific PM and Fe emission factors
File: Rathod_IronEmissions_JGR_SPEW_EmissionFactors.xls

PM and Fe emission factors are shown for region-specific fuel-sector-technology-control combinations.			
Units:	g emitted / kg fuel burned or commodity produced		
PM1 and FE1 refer to PM and FE emission factors in <1 um particle diameter range.			
PM1-10 and FE1-10 refer to PM and FE emission factors in 1-10 um particle diameter range.			
FE1 and FE1-10 are obtained by multiplying PM1 and PM1-10 with the iron fractions described in Table 1 in Rathod et al., (2019)			
Technology definitions available from Bond et al., (2004) Bond, Tami C., et al. "A technology‐based global inventory of black and organic carbon emissions from combustion." Journal of Geophysical Research: Atmospheres 109.D14 (2004).			
Data year: 2010			
Coverage: Global

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3. Emission files
Coverage: Global
Year: 2010
Resolution: 1x1 degrees latxlong
Format: netCDF
Units: kg/m2/s

Contains the files for the following cases:
3.1 Anthropogenic total iron emission as PM1 and PM1-10: for total iron (Sec. 2.1) and BULK solubility (Sec. 2.3) case.
FILE: Fe_Emissions_TOTAL.nc
Variables: Fine = PM1, Coa = PM1-10; Med = Central estimate, High = Upper estimate.
FineMed_TOTAL
FineHigh_TOTAL
CoaMed_TOTAL
CoaHigh_TOTAL


3.2 Anthropogenic fuel-specific emission as PM1 and PM1-10 from Coal, Oil, and Wood (See. Sec. 2.3 for category definitions): for Acid-pH Solubility and Neutral-pH Solubility cases (Sec. 2.3).
FILE: Fe_Emissions_FUEL.nc
Variables: 
FineMed_FCOAL
FineHigh_FCOAL
FineMed_FOIL
FineHigh_FOIL
FineMed_FWOOD
FineHigh_FWOOD
CoaMed_FCOAL
CoaHigh_FCOAL
CoaMed_FOIL
CoaHigh_FOIL
CoaMed_FWOOD
CoaHigh_FWOOD

3.3 Anthropogenic mineral-specific emission as PM1 and PM1-10 (See Sec. 2.2 for mineral definitions): for Base Mineralogy Solubility and Temperature-dependent Mineralogy Solubility cases.
FILES: Fe_Emissions_MINERAL_BASE and Fe_Emissions_MINERAL_TEMP. BASE and TEMP refer to the Base and Temperature-dependent Mineralogy cases, respectively.
Variables: BM = Base Mineralogy, TM = Temperature-dependent Mineralogy, SULF = Iron sulfates, HEM = hematite, MAG = magnetite, CLAY = iron-containing clays (illite+kaolinite), OXYH = iron in oxyhydrides
FineMed_BMSULF
FineMed_BMHEM
FineMed_BMMAG
FineMed_BMCLAY
FineMed_BMOXYH
CoaMed_BMSULF
CoaMed_BMHEM
CoaMed_BMMAG
CoaMed_BMCLAY
CoaMed_BMOXYH
FineHigh_BMSULF
FineHigh_BMHEM
FineHigh_BMMAG
FineHigh_BMCLAY
FineHigh_BMOXYH
CoaHigh_BMSULF
CoaHigh_BMHEM
CoaHigh_BMMAG
CoaHigh_BMCLAY
CoaHigh_BMOXYH
FineMed_TMSULF
FineMed_TMHEM
FineMed_TMMAG
FineMed_TMCLAY
FineMed_TMOXYH
CoaMed_TMSULF
CoaMed_TMHEM
CoaMed_TMMAG
CoaMed_TMCLAY
CoaMed_TMOXYH
FineHigh_TMSULF
FineHigh_TMHEM
FineHigh_TMMAG
FineHigh_TMCLAY
FineHigh_TMOXYH
CoaHigh_TMSULF
CoaHigh_TMHEM
CoaHigh_TMMAG
CoaHigh_TMCLAY
CoaHigh_TMOXYH

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4. Modeled concentration and deposition fiels

Year of simulation: 2010
Resolution: 1.9 x 2.5 degrees (latitude x longitude) = 96 x 144 grid cells
Format: netCDF

##File nomenclature:
BULK = bulk case (4% solubility)
APS = Acid-pH Solubility
NPS = Neutral-pH Solubility
BMS = Base Mineralogy Solubility
TMS = Temperature-dependent Mineralogy Solubility

CENTRAL = Central anthropogenic-Fe, central wildfire-Fe, and central dust-Fe emissions
HIGH = High anthropogenic-Fe, central wildfire-Fe, and central dust-Fe emissions
NOFIRE = Central anthropogenic-Fe, central dust-Fe emissions. To separate effects of fires and anthropogenic sources.

## Variable definitions
co = combustion (anthropogenic + wildfires)
du = dust
tot = total iron
sol = soluble iron
dry = dry deposition
wet = wet deposition
anthro = anthropogenic

#total iron
fecotot: total iron concentration from combustion (kg Fe/kg air)
fedutot: total iron concentration from dust (kg Fe/kg air)
fecototdry: total iron dry deposition from combustion (kg Fe/m2/yr)
fecototwet: total iron dry deposition from combustion (kg Fe/m2/yr)
fedutotdry: total iron dry deposition from dust (kg Fe/m2/yr)
fedutotwet: total iron dry deposition from dust (kg Fe/m2/yr)
totfedep: total iron dry deposition from combustion and dust (kg Fe/m2/yr); sum of fecototdry, fecototwet, fedutotdry, and fedutotwet

Only in NOFIRES files
anthrofecotot: total iron concentration from anthropogenic combustion (kg Fe/kg air); only in the NOFIRES files
anthrofecototdry: total iron dry deposition from anthropogenic combustion (kg Fe/m2/yr); only in the NOFIRES files
anthrofecototwet: total iron dry deposition from anthropogenic combustion (kg Fe/m2/yr); only in the NOFIRES files
anthrototfedep: total iron deposition from anthropogenic combustion (kg Fe/m2/yr); only in the NOFIRES files; sum of anthrofecototdry and anthrofecototwet


#soluble iron
fecosol: soluble iron concentration from combustion (kg Fe/kg air)
fedusol: soluble iron concentration from dust (kg Fe/kg air)
fecosoldry: soluble iron dry deposition from combustion (kg Fe/m2/yr)
fecosolwet: soluble iron dry deposition from combustion (kg Fe/m2/yr)
fedusoldry: soluble iron dry deposition from dust (kg Fe/m2/yr)
fedusolwet: soluble iron dry deposition from dust (kg Fe/m2/yr)
solfedep: soluble iron dry deposition from combustion (kg Fe/m2/yr); sum of fecosoldry, fecosolwet, fedusoldry, and fedusolwet

Only in NOFIRES files
anthrofecosol: soluble iron dry deposition from anthropogenic combustion (kg Fe/m2/yr); only in the NOFIRES files
anthrofecosoldry: soluble iron dry deposition from anthropogenic combustion (kg Fe/m2/yr); only in the NOFIRES files
anthrofecosolwet: soluble iron dry deposition from anthropogenic combustion (kg Fe/m2/yr); only in the NOFIRES files
anthrosolfedep: soluble iron dry deposition from anthropogenic combustion (kg Fe/m2/yr); only in the NOFIRES files; sum of anthrofecototdry and anthrofecototwet


#solubility
solubility_online: solubility in fraction when calculated as average of ratios of daily-averaged soluble and total iron concentrations
solubility_offline: solubility in fraction, when calculated as the ratio of yearly-averaged soluble and total iron concentrations; here, (fecosol + fedusol) / (fecotot + fedutot)



## Note: to convert from kg Fe/kg air to ug Fe/m3 air:
Convert kg air to m3 air by using the Ideal Gas equation

P = 101325 #Pa at STP
T = 273.15 #K at STP
MWair = 29 * 1e-3 #kg / mole
n = 1 / MWair #no. of moles per kg of air
R = 8.31441 #JK-1mol-1

V = (n * R * T) / P #m3 of air per kg of air at STP

ug Fe/m3 air = kg Fe/kg air * (1e9 / V)

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