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# Copyright (C) 2016 Mathilde Hagens (M.Hagens@uu.nl)
#
# This file is part of seacarb.
#
# Seacarb is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or any later version.
#
# Seacarb is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License along with seacarb; if not, write to the Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
#
K2si <- function (S=35, T=25, P=0, pHscale="T",
kSWS2scale="x", ktotal2SWS_P0="x")
{
nK <- max(length(S), length(T), length(P), length(pHscale),
length(kSWS2scale), length(ktotal2SWS_P0))
##-------- Creation of vector for all entries
if (length(S) != nK) {S <- rep(S[1], nK)}
if (length(T) != nK) {T <- rep(T[1], nK)}
if (length(P) != nK) {P <- rep(P[1], nK)}
if (length(pHscale) != nK) {pHscale <- rep(pHscale[1], nK)}
#-------Constants----------------
tk = 273.15 # [K] (for conversion [deg C] <-> [K])
TC = T + tk # TC [C]; T[K]
#--------------------------------------------------------------
# Dissociation constant of SiO(OH)3 on total scale
# Source: Wischmeyer et al. (2003), including corrections by
# D. Wolf-Gladrow and M. Hagens
#--------------------------------------------------------------
logK <- 8.9613 + (-4465.18) / TC + (-0.021952) * TC
K2si <- 10^(logK)
## ---- Conversion from Total scale to seawater scale before pressure corrections
# if correction factor (from Total scale to seawater at P=0) not given
if (missing(ktotal2SWS_P0) || ktotal2SWS_P0[1] == "x")
{
# Compute it
ktotal2SWS_P0 <- kconv(S=S, T=T, P=0)$ktotal2SWS
}
else
# Check its length
if(length(ktotal2SWS_P0)!=nK) ktotal2SWS_P0 <- rep(ktotal2SWS_P0[1], nK)
K2si <- K2si * ktotal2SWS_P0
# If needed, pressure correction. Conversion factors for pressure
# correction are calculated within Pcorrect
if (any(P != 0)) {
K2si <- Pcorrect(Kvalue = K2si, Ktype = "K2si", T = T, S = S,
P = P, pHscale = "SWS") }
###----------------pH scale corrections
# Which pH scales are required ?
is_total <- pHscale=="T"
is_free <- pHscale=="F"
# if any pH scale correction required (from total scale)
if (any(is_total) || any(is_free))
{
# if pH scale correction factor not given
if (missing(kSWS2scale) || kSWS2scale[1] == "x")
{
# Compute it
kSWS2scale <- rep(1.0,nK)
if (any(is_total))
{kSWS2scale[is_total] <- kconv(S=S[is_total], T=T[is_total], P=P[is_total])$kSWS2total}
if (any(is_free))
{kSWS2scale[is_free] <- kconv(S=S[is_free], T=T[is_free], P=P[is_free])$kSWS2free}
}
else
# Check its length
if(length(kSWS2scale)!=nK){kSWS2scale <- rep(kSWS2scale[1], nK)}
# Apply pH scale correction
K2si <- K2si*kSWS2scale
}
# Return full name of pH scale
pHsc <- rep(NA,nK)
pHsc[is_total] <- "total scale"
pHsc[is_free] <- "free scale"
pHsc[!is_total & !is_free] <- "seawater scale"
##------------Warnings
## No warning is given; range of validity for this equation not clear from Wischmeyer et al (2003)
attr(K2si, "unit") = "mol/kg-soln"
attr(K2si, "pH scale") = pHsc
return(K2si)
}
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