R/K0.R

In seacarb: Seawater Carbonate Chemistry

# Copyright (C) 2008 Jean-Pierre Gattuso and Jean-Marie Epitalon and Heloise Lavigne 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
#
#
"K0" <-
function(S=35,T=25,P=0,Patm=1,warn="y"){

    nK <- max(length(S), length(T), length(P), length(Patm))

    ##-------- 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)}
    if(length(Patm)!=nK){Patm <- rep(Patm[1], nK)}

    #-------Constantes----------------

    #---- issues de equic----
    tk = 273.15;           # [K] (for conversion [deg C] <-> [K])
    TK = T + tk;           # T[K] (absolute temperature)

    #---------------------------------------------------------------------
    #---------------------- K0 (K Henry) ---------------------------------
    #
    #               CO2(g) <-> CO2(aq.)
    #               K0      = [CO2]/ p CO2
    #
    #   Weiss (1974)   [mol/kg/atm]
    #
    #                             

    tmp = 9345.17 / TK - 60.2409 + 23.3585 * log(TK/100);
    nK0we74 = tmp + S*(0.023517-0.00023656*TK+0.0047036e-4*TK*TK);

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

    is_w <- warn == "y"

    if (any (is_w & (T>45 | S>45 | T<(-1))) ) {warning("S and/or T is outside the range of validity of the formulation available for K0 in seacarb.")}

    K0= exp(nK0we74);

    #---------------------------------------------------------------------
    #---------------------- Pressure correction ----------------------------
    Phydro_atm = P / 1.01325  # convert hydrostatic pressure from bar to atm (1.01325 bar / atm)
    Ptot = Patm + Phydro_atm  # total pressure (in atm) = atmospheric pressure + hydrostatic pressure
    R = 82.05736              # (cm3 * atm) / (mol * K)  CODATA (2006)
    vbarCO2 = 32.3            # partial molal volume (cm3 / mol) from Weiss (1974, Appendix, paragraph 3)
    K0 = K0 * exp( ((1-Ptot)*vbarCO2)/(R*TK) )   # Weiss (1974, equation 5), TK is absolute temperature (K)

    attr(K0,"unit") = "mol/kg"	
    return(K0)
}