pHinsi: 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="l10")

Arguments

pH measured in the laboratory

ALK

ALK, total alkalinity (mol/kg)

Tinsi

In situ temperature in degrees Celsius

Tlab

Measurement temperature in degrees Celsius

Salinity

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) 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 o

"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

"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)

"l10" for computing boron total from the Lee et al. (2010) formulation or "u74" for using the Uppstrom (1974) formulation, default is "l10"

Value

pHpH at in situ temperature

encoding

latin1

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 0 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 Kh:

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 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).

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.

Examples

Run this code

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

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