Multiphase particle formation in industrial plumes corrects missing sulfate in the urban atmosphere
Description
This dataset was used to create Figures in the main text of "Multiphase particle formation in industrial plumes corrects missing sulfate in the urban atmosphere" (Su et al., 2025).
Files
Steps to reproduce
1. Sheets "Fig1A", "Fig1B" in the "data_of_figures.xlsx": The stack PM concentrations, the contribution of PM formed in plumes to total PM (stack PM + plume PM), and the sulfate concentrations originating from stationary combustion sources were obtained from field measurements and previous studies, as detailed in Tables S1–S4 in the manuscript; 2. Sheet "Fig2C" in the "data_of_figures.xlsx": The relative contributions of sulfate emissions from plumes to sulfate production in urban and rural areas across Chinese mainland in January 2019 were obtained by the following steps: (a) Simulate the atmospheric sulfate concentrations attributed to in-stack and in-plume sulfate emissions from power, industrial boilers, iron and steel, and cement plants, with CMAQ-ISAM. Details of the configurations and steps are provided in "Model simulation and evaluation" of the manuscript. (b) Calculate the contributions of in-stack and in-plume sulfate emissions to simulated atmospheric sulfate levels, by dividing the concentrations attributed to in-stack and in-plume sulfate emissions, respectively, with simulated sulfate levels. The results are provided in the attached file "ChineseMainland.zip". (c) Convert the contributions calculated in (b) into raster formats with QGIS-3.16.2. The contributions for each region of interest, i.e., BTH, YRD, PRD, SCB, and northwestern, are obtained by clipping the rasters with the shapefiles provided in the attached "regions_definition.shp". The values for urban/rural areas were further extracted with the urban/rural definition shapefiles, according to Shen, H. et al., (2017), https://doi.org/10.1126/sciadv.1700300. 3. Sheet "Fig2D" in the "data_of_figures.xlsx": The concentrations of sulfate concentrations attributed to in-plume sulfate formation from stationary combustion sources were obtained by (a) obtaining the sulfate concentrations attributed to in-plume sulfate formation in the four studied sources with CMAQ-ISAM; (b) clipping the source-specific concentrations with the shapefiles of rural/urban definitions, as described in step 2(c). 4. Sheets "Fig3A and 3B" and "Fig3C and 3D": "Base", "Stack", and "Plume" concentrations were obtained with CMAQ simulations, with the sulfur tracking method (STM) activated. "Base" includes the initial and boundary conditions and commonly known secondary sulfate formation pathways in the gaseous and aqueous phases. The gaseous sulfate formation pathways include Aitken mode sulfate nucleation and/or oxidation of SO2 by OH. The aqueous sulfate formation pathways include SO2 oxidation by dissolved H2O2, O3, methyl hydrogen peroxide, peroxyacetic acid, and O2 catalyzed by TMIs. 5. Sheet "Fig4A" and "Fig4B": Sulfate originating from the four stationary combustion sources via multiple pathways was obtained from the CMAQ-ISAM results. Details of calculating the contributions from each sulfate formation pathway in plumes could refer to Note S9 of the manuscript.
Institutions
- Universite Claude Bernard Lyon 1
- Leibniz-Institut fur Tropospharenforschung eV
- Hong Kong Polytechnic University
- Universite Mohammed VI Polytechnique
- Shandong University
- Tsinghua University
- Fudan University
- Sichuan University