ppH: ppH

In seacarb: Calculates parameters of the seawater carbonate system

Description

Calculates the carbonate chemistry after pH manipulations through addition of acid or base

Usage

ppH(flag, sys, var1, var2, pCO2a, vol, N, S=35, T=20, P=0, Pt=0, Sit=0, pHscale="T", k1k2="l", kf="pf")

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
sys	0 if the manipulation is carried out in a system closed to the atmosphere or 1 if its is carried out in a system open to the atmosphere
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
pCO2a	CO2 partial pressure in the atmosphere pCO2 in μatm. It is only used in systems open to the atmosphere (i.e. when sys=1)
vol	Volume of acid or base added in liter. By convention, it is given a negative sign for acid additions and a positive sign for base additions
N	Normality of the acid or base in mol/kg
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
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
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"

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 [e-mail]

See Also

buffer.

Examples

ppH(flag=24, sys=0, var1=384, var2=2302e-6, pCO2a=384, vol=-12e-3, N=0.01, S=34.3, T=16, P=0, pHscale="T", kf="pf", k1k2="l")

ppH(flag=24, sys=1, var1=384, var2=2302e-6, pCO2a=384, vol=-12e-3, N=0.01, S=34.3, T=16, P=0, pHscale="T", kf="pf", k1k2="l")

Example output

Loading required package: oce
Loading required package: gsw
Loading required package: testthat
             comment flag    S  T Patm P       pH          CO2     fCO2
1 ppH-closed-initial   24 34.3 16    1 0 8.064030 1.396345e-05 382.6302
2   ppH-closed-final   15 34.3 16    1 0 7.791228 2.670278e-05 731.7165
      pCO2  fCO2pot  pCO2pot fCO2insitu pCO2insitu        HCO3          CO3
1 384.0000 382.6302 384.0000   382.6302   384.0000 0.001890783 1.664526e-04
2 734.3371 731.7165 734.3371   731.7165   734.3371 0.001929312 9.062504e-05
          DIC         ALK OmegaAragonite OmegaCalcite
1 0.002071199 0.002302000       2.564667     3.989249
2 0.002046639 0.002156126       1.396332     2.171945
           comment flag    S  T Patm P       pH          CO2     fCO2 pCO2
1 ppH-open-initial   24 34.3 16    1 0 8.064030 1.396345e-05 382.6302  384
2   ppH-open-final   24 34.3 16    1 0 8.038984 1.396345e-05 382.6302  384
   fCO2pot pCO2pot fCO2insitu pCO2insitu        HCO3          CO3         DIC
1 382.6302     384   382.6302        384 0.001890783 0.0001664526 0.002071199
2 382.6302     384   382.6302        384 0.001784822 0.0001483190 0.001947104
          ALK OmegaAragonite OmegaCalcite
1 0.002302000       2.564667     3.989249
2 0.002156126       2.285269     3.554655

seacarb documentation built on May 2, 2019, 5:34 p.m.