pgas

Description

Calculates the carbonate chemistry after changes in pCO2 generated by gas bubbling

Usage

1
pgas(flag, var1, var2, pCO2g, S=35, T=20, P=0, Pt=0, Sit=0, k1k2="l", kf="pf", pHscale="T")

Arguments

flag

select the couple of variables available. The flags which can be used are:

flag = 1 pH and CO2 given

flag = 2 CO2 and HCO3 given

flag = 3 CO2 and CO3 given

flag = 4 CO2 and ALK given

flag = 5 CO2 and DIC given

flag = 6 pH and HCO3 given

flag = 7 pH and CO3 given

flag = 8 pH and ALK given

flag = 9 pH and DIC given

flag = 10 HCO3 and CO3 given

flag = 11 HCO3 and ALK given

flag = 12 HCO3 and DIC given

flag = 13 CO3 and ALK given

flag = 14 CO3 and DIC given

flag = 15 ALK and DIC given

flag = 21 pCO2 and pH given

flag = 22 pCO2 and HCO3 given

flag = 23 pCO2 and CO3 given

flag = 24 pCO2 and ALK given

flag = 25 pCO2 and DIC given

var1

Value of the first variable in mol/kg, except for pH and for pCO2 in μatm

var2

Value of the second variable in mol/kg, except for pH

pCO2g

CO2 partial pressure of the gas used for bubbling in μatm

S

Salinity

T

Temperature in degrees Celsius

P

Hydrostatic pressure in bar (surface = 0)

Pt

Concentration of total phosphate in mol/kg

Sit

Concentration of total silicate in mol/kg

k1k2

"l" for using K1 and K2 from Lueker et al. and "r" for using K1 and K2 from Roy and al. , default is "l"

kf

"pf" for using Kf from Perez and Fraga (1987) and "dg" for using Kf from Dickson and Goyet (1979), default is "pf"

pHscale

choice of pH scale: "T" for using the total scale, "F" for using the free scale and "SWS" for using the seawater scale, default is total scale

Value

The function returns a data frame containing the following columns:

comment

The initial or final state water

S

Salinity

T

Temperature in degrees Celsius

P

Pressure in bar

pH

pH

CO2

CO2 concentration (mol/kg)

pCO2

pCO2, CO2 partial pressure (μatm)

fCO2

fCO2, CO2 fugacity (μatm)

HCO3

HCO3 concentration (mol/kg)

CO3

CO3 concentration (mol/kg)

DIC

DIC concentration (mol/kg)

ALK

ALK, total alkalinity (mol/kg)

OmegaAragonite

Omega aragonite, aragonite saturation state

OmegaCalcite

Omega calcite, calcite saturation state

Author(s)

Jean-Pierre Gattuso gattuso@obs-vlfr.fr

Examples

1
pgas(flag=15, var1=2302e-6, var2=2050e-6, pCO2g=750, S=35, T=20, P=0, Pt=0, Sit=0, pHscale="T", kf="pf", k1k2="l") 

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