R/Kspc.R

In seacarb: Seawater Carbonate Chemistry

# Copyright (C) 2003 Jean-Pierre Gattuso and Aurelien Proye
#
# 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
#
#
"Kspc" <-
function(S=35,T=25,P=0,warn="y"){
    
    nK <- max(length(S), length(T), length(P))
    
    ##-------- Creation de vecteur pour toutes les entrees (si vectorielles)
    
    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)}
    
    
    #---- issues de equic----
    tk = 273.15;           # [K] (for conversion [deg C] <-> [K])
    TC = T + tk;           # TC [C]; T[K]

    # --------------------- Kspc (calcite) ----------------------------
    #
    # apparent solubility product of calcite
    #
    #  Kspc = [Ca2+]T [CO32-]T
    #
    #  where $[]_T$ refers to the equilibrium total 
    # (free + complexed) ion concentration.
    #
    #  Mucci 1983 mol/kg-soln
    
    tmp1 = -171.9065-0.077993*TC+2839.319/TC+71.595*log10(TC);
    tmp2 = +(-0.77712+0.0028426*TC+178.34/TC)*sqrt(S);
    tmp3 = -0.07711*S+0.0041249*S^1.5;
    log10Kspc = tmp1 + tmp2 + tmp3;
    
    Kspc = 10^(log10Kspc);
    	
    # ----------------- Pressure Correction ------------------
    	
    Kspc <- Pcorrect(Kvalue=Kspc, Ktype="Kspc", T=T, S=S, P=P, warn=warn)

		
		##------------Warnings

    is_w <- warn == "y"

    if (any (is_w & (T>40 | S>44 | T<5 | S<5)) )
        warning("S and/or T is outside the range of validity of the formulation available for Kspc in seacarb.")

    
    attr(Kspc,"unit") = "mol/kg"
    return(Kspc)
}