R: pH at in situ temperature

pHinsi {seacarb} | R Documentation

## pH at in situ temperature

### Description

pH at in situ temperature

### Usage

    pHinsi(pH=8.2, ALK=2.4e-3, Tinsi=20, Tlab=25, S=35, Pt=0, Sit=0, k1k2 = "x",
    	kf = "x", ks="d", pHscale = "T", b="u74")

### Arguments

`pH` | pH measured in the laboratory
`ALK` | ALK, total alkalinity (mol/kg)
`Tinsi` | In situ temperature in degrees Celsius
`Tlab` | Measurement temperature in degrees Celsius
`S` | Salinity
`Pt` | value of the concentration of total phosphate in mol/kg
`Sit` | the value of the total silicate in mol/kg
`k1k2` | "l" for using K1 and K2 from Lueker et al. (2000), "m06" from Millero et al. (2006), "m10" from Millero (2010), "w14" from Waters et al. (2014), and "r" from Roy et al. (1993). "x" is the default flag; the default value is then "l", except if T is outside the range 2 to 35oC and/or S is outside the range 19 to 43. In these cases, the default value is "w14".
`kf` | "pf" for using Kf from Perez and Fraga (1987) and "dg" for using Kf from Dickson and Riley (1979 in Dickson and Goyet, 1994). "x" is the default flag; the default value is then "pf", except if T is outside the range 9 to 33oC and/or S is outside the range 10 to 40. In these cases, the default is "dg".
`ks` | "d" for using Ks from Dickon (1990), "k" for using Ks from Khoo et al. (1977), default is "d"
`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)
`b` | "l10" for computing boron total from the Lee et al. (2010) formulation or "u74" for using the Uppstrom (1974) formulation, default is "u74"

### Details

The Lueker et al. (2000) constants for K1 and K2, the Perez and Fraga (1987) constant for Kf and the Dickson (1990) constant for Ks are recommended by Dickson et al. (2007). It is, however, critical to consider that each formulation is only valid for specific ranges of temperature and salinity:

For K1 and K2:

- Roy et al. (1993): S ranging between 5 and 45 and T ranging between 0 and 45oC.

- Lueker et al. (2000): S ranging between 19 and 43 and T ranging between 2 and 35oC.

- Millero et al. (2006): S ranging between 0.1 and 50 and T ranging between 1 and 50oC.

- Millero (2010): S ranging between 1 and 50 and T ranging between 0 and 50oC. Millero (2010) provides a K1 and K2 formulation for the seawater, total and free pH scales. Therefore, when this method is used and if P=0, K1 and K2 are computed with the formulation corresponding to the pH scale given in the flag "pHscale".

For Kf:

- Perez and Fraga (1987): S ranging between 10 and 40 and T ranging between 9 and 33oC.

- Dickson and Riley (1979 in Dickson and Goyet, 1994): S ranging between 0 and 45 and T ranging between 0 and 45oC.

For Ks:

- Dickson (1990): S ranging between 5 and 45 and T ranging between 0 and 45oC.

- Khoo et al. (1977): S ranging between 20 and 45 and T ranging between 5 and 40oC.

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 is recommended to use either vectors with the same dimension or one vector for one argument and numbers for the other arguments.

Pressure corrections and pH scale:

- For K0, the pressure correction term of Weiss (1974) is used.

- For K1, K2, pK1, pK2, pK3, Kw, Kb, Khs and Ksi, the pressure correction was applied on the seawater scale. Hence, if needed, values were first transformed from the total scale to the seawater scale, the pressure correction applied as described by Millero (1995), and the value was transformed back to the required scale (T, F or SWS).

- For Kf, the pressure correction was applied on the free scale. The formulation of Dickson and Riley (1979 in Dickson and Goyet, 1994) provides Kf on the free scale but that of Perez and Fraga (1987) provides it on the total scale. Hence, in that case, Kf was first transformed from the total scale to the free scale. With both formulations, the pressure correction was applied as described by Millero (1995), and the value was transformed back to the required scale (T, F or SWS).

- For Ks, the pressure correction was applied on the free scale. The pressure correction was applied as described by Millero (1995), and the value was transformed back to the required scale (T, F or SWS).

- For Kn, The pressure correction was applied on the seawater scale. The pressure correction was applied as described by Millero (1995), and the value was transformed back to the required scale (T, F or SWS).

### Value

`pH` | pH at in situ temperature

### Author(s)

Jean-Pierre Gattuso, gattuso@obs-vlfr.fr

### References

Hunter K. A., 1998. The temperature dependence of pH in surface seawater. Deep-Sea Research (Part I, Oceanographic Research Papers) 45(11):1919-1930.

Lee K., Tae-Wook K., Byrne R.H., Millero F.J., Feely R.A. and Liu Y-M, 2010 The universal ratio of the boron to chlorinity for the North Pacific and North Atlantoc oceans. Geochimica et Cosmochimica Acta 74 1801-1811.

Millero F. J., 2010 Carbonate constant for estuarine waters. Marine and Freshwater Research 61: 139-142.

Millero F. J., Graham T. B., Huang F., Bustos-Serrano H. and Pierrot D., 2006. Dissociation constants of carbonic acid in seawater as a function of salinity and temperature. Marine Chemistry 100, 80-84.

Uppstrom L.R., 1974 The boron/chlorinity ratio of the deep-sea water from the Pacific Ocean. Deep-Sea Research I 21 161-162.

Waters, J., Millero, F. J., and Woosley, R. J., 2014. Corrigendum to “The free proton concentration scale for seawater pH”, [MARCHE: 149 (2013) 8-22], Marine Chemistry 165, 66-67.

### Examples

      pHinsi(pH=8.2,ALK=2.4e-3,Tinsi=25,Tlab=25,S=35,Pt=0,Sit=0)

[Package seacarb version 3.1.1 Index]