Trace Gas Chemistry"

In foqat: Field Observation Quick Analysis Toolkit

knitr::opts_chunk$set(
  collapse = TRUE,
  comment = "#>"
)

To begin, we’ll load foqat and show three datasets in foqat:
voc is a dataset about time series of volatile organic compounds with 1-hour resolution.

library(foqat)
head(voc)

Convert VOC unit and analyse VOC concentration

vocct() allows you to convert unit of VOCs between micrograms per cubic meter (ugm) and parts per billion by volume (ppbv); conduct statistics of VOC concentrations.
You need to set unit into "ugm" or "ppbv". "ugm" means ug m~-3~. "ppbv" means part per billion volumn.

voc_con=vocct(voc, unit = "ppbv")
summary(voc_con)

MW_Result is the matched Molecular Weight (MW) value results.

voc_con[["MW_Result"]]

Con_ugm is time series of VOC mass concentrations by species.

head(voc_con[["Con_ugm"]])

Con_ugm_stat is the statistics of VOC mass concentration by species.

voc_con[["Con_ugm_stat"]]

Con_ugm_group is the time series of VOC mass concentration classified by groups.

head(voc_con[["Con_ugm_group"]])

Con_ugm_group_stat is the statistics of VOC mass concentration according to major groups.

voc_con[["Con_ugm_group_stat"]]

Con_ppbv is the time series of VOC volume concentration by species.

head(voc_con[["Con_ppbv"]])

Con_ppbv_stat is the statistics of VOC volume concentration by species.

voc_con[["Con_ppbv_stat"]]

Con_ppbv_group is the time series of VOC volume concentration according to major groups.

head(voc_con[["Con_ppbv_group"]])

Con_ppbv_group_stat is the time series of VOC volume concentration classified by groups.

voc_con[["Con_ppbv_group_stat"]]

Calculate ozone formation potential

The ofp() allows you to statistics time series:

voc_ofp=ofp(voc)
summary(voc_ofp)

MIR_Result is the matched MIR value results.

voc_ofp[["MIR_Result"]]

OFP_Result is the OFP time series of VOC by species.

head(voc_ofp[["OFP_Result"]])

OFP_Result_stat is the statistics of OFP of VOC by species.

voc_ofp[["OFP_Result_stat"]]

OFP_Result_group is the time series of VOC classified by groups.

head(voc_ofp[["OFP_Result_group"]])

OFP_Result_group_stat is the statistics of OFP of VOC according to major groups.

voc_ofp[["OFP_Result_group_stat"]]

Calculate OH reactivity

The loh() allows you to statistics time series:

voc_loh=loh(voc)
summary(voc_loh)

KOH_Result is the matched KOH value results.

voc_loh[["KOH_Result"]]

LOH_Result is the LOH time series of VOC by species.

head(voc_loh[["LOH_Result"]])

LOH_Result_stat is the statistics of LOH of VOC by species.

voc_loh[["LOH_Result_stat"]]

LOH_Result_group is the LOH time series of VOC classified by groups.

head(voc_loh[["LOH_Result_group"]])

LOH_Result_group_stat is the statistics of LOH of VOC according to major groups.

voc_loh[["LOH_Result_group_stat"]]

Get K~OH~

The koh() allows you Searches K~OH~ value from 'chemspider.com'.

koh("propene")
#> [1] "propene 26.4360E-12 cm3/molecule-sec (25 deg C) [AopWin v1.92]"

foqat documentation built on Sept. 30, 2023, 9:07 a.m.