buffer: Buffer parameters of the seawater carbonate system

In seacarb: Calculates parameters of the seawater carbonate system

Description

Returns buffer parameters of the seawater carbonate system.

Usage

buffer(flag, var1, var2, S=35, T=25, 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	enter value of the first variable in mol/kg, except for pH and for pCO2 in μatm
var2	enter value of the second variable in mol/kg, except for pH
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. (2000) and "r" for using K1 and K2 from Roy et al. (1993), 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 the total scale, "F" for the free scale and "SWS" for using the seawater scale, default is "T" (total scale)

Details

Note that the arguments can be given as a unique number or as vectors. If the lengths of the vectors are different, the longer vector is retained and only the first value of the other vectors is used. It can therefore be critical to use vectors of the same length. For instance, to compute parameters from one couple of variable for a range of temperatures, a vector with temperatures required can be given in enter and other arguments can be completed be one variable this variable will be used for each temperatures.

Value

The function returns a data frame containing the following columns:

PhiD	PhiD, chemical buffer factor (dpH/d[DIC]); input/output of dissolved CO2 (unit pH per mol/kg)
BetaD	BetaD, homogeneous or Revelle buffer factor (dln(pCO2)/dln[DIC]); input/output of dissolved CO2
PiD	PiD, chemical buffer factor (dpCO2/d[DIC]); input/output of dissolved CO2 (μ atm per mol/kg)
PhiB	PhiB, chemical buffer factor (dpH/d[DIC]); from input/output of bicarbonate (unit pH per mol/kg)
BetaB	BetaB, homogeneous buffer factor (dln(pCO2)/dln[DIC]); input/output of bicarbonate
PiB	PiB, chemical buffer factor (dpCO2/d[DIC]); input/output of dissolved CO2 (μ atm per mol/kg)
PhiC	PhiC, chemical buffer factor (dpH/d[DIC]); input/output of carbonate (unit pH per mol/kg)
BetaC	BetaC, homogeneous buffer factor (dln(pCO2)/dln[DIC]); input/output of carbonate
PiC	PiC, chemical buffer factor (dpCO2/d[DIC]); input/output of carbonate (μ atm per mol/kg)
PhiH	PhiH, chemical buffer factor (dpH/d[ALK]); input/output of strong acid (unit pH per mol/kg)
PiH	PiH, chemical buffer factor (dpCO2/d[ALK]); input/output of strong acid (μ atm per mol/kg)

Author(s)

Héloïse Lavigne, Aurélien Proye and Jean-Pierre Gattuso [e-mail]

References

Frankignoulle, M. 1994 A complete set of buffer factors for acid/base CO2 system in seawater. Journal of Marine Systems 5, 111-118.

Lueker, T. J. Dickson, A. G. and Keeling, C. D. 2000 Ocean pCO2 calculated from dissolved inorganic carbon, alkalinity, and equations for K1 and K2: validation based on laboratory measurements of CO2 in gas and seawater at equilibrium. Marine Chemistry 70 105-119.

Perez, F. F. and Fraga, F. 1987 Association constant of fluoride and hydrogen ions in seawater. Marine Chemistry 21, 161-168.

Roy, R. N. Roy, L. N. Vogel, K. M. Porter-Moore, C. Pearson, T. Good C. E., Millero F. J. and Campbell D. M., 1993. The dissociation constants of carbonic acid in seawater at salinities 5 to 45 and temperatures 0 to 45°C. Marine Chemistry 44, 249-267.

Examples

## Calcul with a couple of variables
buffer(flag=8, var1=8.2, var2=0.00234, S=35, T=25, P=0, Pt=0, Sit=0, pHscale="T", kf="pf", k1k2="l")

## Using vectors as arguments
flag <- c(8, 2, 8)
var1 <- c(8.2, 7.477544e-06, 8.2)
var2 <- c(0.002343955, 0.001649802, 2400e-6)
S <- c(35, 35, 30)
T <- c(25, 25, 30)
P <- c(0, 0, 0)
Pt <- c(0, 0, 0)
Sit <- c(0, 0, 0)
kf <- c("pf", "pf", "pf")
k1k2 <- c("l", "l", "l")
pHscale <- c("T", "T", "T")
buffer(flag=flag, var1=var1, var2=var2, S=S, T=T, P=P, Pt=Pt, Sit=Sit, kf=kf, k1k2=k1k2, pHscale=pHscale)


## Test for all flags 

flag <- c(1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 21, 22, 23, 24, 25)

var1 <- c(8.200000, 7.477544e-06, 7.477544e-06, 7.477544e-06, 7.477544e-06, 8.2, 8.2, 8.2, 8.2, 0.001685024, 0.001685024, 0.001685024,  0.0002888382, 0.0002888382, 0.002391252, 264.2008, 264.2008, 264.2008, 264.2008, 264.2008)

var2 <- c(7.477544e-06, 0.001685024, 0.0002888382, 0.002391252, 0.001981340, 0.001685024, 0.0002888382, 0.002391252, 0.001981340, 0.0002888382, 0.002391252, 0.001981340,  0.002391252, 0.001981340, 0.001981340, 8.2, 0.001685024, 0.0002888382, 0.002391252, 0.001981340)

buffer(flag=flag, var1=var1, var2=var2)

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