[Seacarb-commits] r13 - in pkg: seacarb seacarb/R seacarb/data seacarb/man seacarb3/R
noreply at r-forge.r-project.org
noreply at r-forge.r-project.org
Thu Apr 23 23:17:01 CEST 2009
Author: phgrosjean
Date: 2009-04-23 23:17:01 +0200 (Thu, 23 Apr 2009)
New Revision: 13
Added:
pkg/seacarb/R/psi.R
pkg/seacarb/man/psi.Rd
Modified:
pkg/seacarb/ChangeLog
pkg/seacarb/DESCRIPTION
pkg/seacarb/R/K1.R
pkg/seacarb/R/K1p.R
pkg/seacarb/R/K2.R
pkg/seacarb/R/K2p.R
pkg/seacarb/R/K3p.R
pkg/seacarb/R/Kb.R
pkg/seacarb/R/Kf.R
pkg/seacarb/R/Kh.R
pkg/seacarb/R/Khs.R
pkg/seacarb/R/Kn.R
pkg/seacarb/R/Ks.R
pkg/seacarb/R/Ksi.R
pkg/seacarb/R/Kspa.R
pkg/seacarb/R/Kspc.R
pkg/seacarb/R/Kw.R
pkg/seacarb/R/bjerrum.R
pkg/seacarb/R/bor.R
pkg/seacarb/R/buffer.R
pkg/seacarb/R/carb.R
pkg/seacarb/R/kconv.R
pkg/seacarb/R/pCa.R
pkg/seacarb/R/pHconv.R
pkg/seacarb/R/pTA.R
pkg/seacarb/R/pgas.R
pkg/seacarb/R/phinsi.R
pkg/seacarb/R/pmix.R
pkg/seacarb/R/ppH.R
pkg/seacarb/R/rho.R
pkg/seacarb/R/speciation.R
pkg/seacarb/data/seacarb_test.txt
pkg/seacarb/man/K1.Rd
pkg/seacarb/man/K1p.Rd
pkg/seacarb/man/K2.Rd
pkg/seacarb/man/K2p.Rd
pkg/seacarb/man/K3p.Rd
pkg/seacarb/man/Kb.Rd
pkg/seacarb/man/Kf.Rd
pkg/seacarb/man/Khs.Rd
pkg/seacarb/man/Kn.Rd
pkg/seacarb/man/Ks.Rd
pkg/seacarb/man/Ksi.Rd
pkg/seacarb/man/Kw.Rd
pkg/seacarb/man/buffer.Rd
pkg/seacarb/man/carb.Rd
pkg/seacarb/man/pCa.Rd
pkg/seacarb/man/pHconv.Rd
pkg/seacarb/man/pTA.Rd
pkg/seacarb/man/pgas.Rd
pkg/seacarb/man/phinsi.Rd
pkg/seacarb/man/pmix.Rd
pkg/seacarb/man/ppH.Rd
pkg/seacarb/man/seacarb_test.Rd
pkg/seacarb3/R/internals.R
Log:
Bugs corrections in carb() when P>0; added psi(); choice of pHscale and K1/K2 method
Modified: pkg/seacarb/ChangeLog
===================================================================
--- pkg/seacarb/ChangeLog 2009-04-22 14:42:29 UTC (rev 12)
+++ pkg/seacarb/ChangeLog 2009-04-23 21:17:01 UTC (rev 13)
@@ -1,3 +1,11 @@
+version 2.1.0, 2009-04-21
+
+- the pHscales were added in option to calculate the constants of acidity and in the functions : carb, buffer, pgas, pTA, pCa, ppH, pmix and psi.
+- the choice of the method of calculation for K1, K2 and Kf was added in option in the functions : carb, buffer, pgas, pTA, pCa, ppH, pmix and psi.
+- two bugs were fixed in the function carb: one about effect of pressure (P) and the other one in the computation of pCO2 and fCO2 when (P>0).
+- pHconv was changed in order to fix a bug and facilitate his using.
+
+--------------------------
version 2.0.9, 2009-04-20
- added function psi
Modified: pkg/seacarb/DESCRIPTION
===================================================================
--- pkg/seacarb/DESCRIPTION 2009-04-22 14:42:29 UTC (rev 12)
+++ pkg/seacarb/DESCRIPTION 2009-04-23 21:17:01 UTC (rev 13)
@@ -1,10 +1,10 @@
-Package: seacarb
-Title: Calculates parameters of the seawater carbonate system
-Version: 2.0.9
-Date: 2009-04-20
-Author: Heloise Lavigne and Aurelien Proye and Jean-Pierre Gattuso. Portions of code and/or corrections were contributed by Jean-Marie Epitalon, Andreas Hofmann, Bernard Gentili, Jim Orr and Karline Soetaert
-Description: Calculates parameters of the seawater carbonate system
-Maintainer: Jean-Pierre Gattuso <gattuso at obs-vlfr.fr>
-URL: http://www.obs-vlfr.fr/~gattuso/seacarb.php
-License: GPL version 2 or newer
-Packaged: Wed Oct 29 00:00:34 2008; gattuso
+Package: seacarb
+Title: Calculates parameters of the seawater carbonate system
+Version: 2.1
+Date: 2009-04-21
+Author: Heloise Lavigne and Aurelien Proye and Jean-Pierre Gattuso. Portions of code and/or corrections were contributed by Jean-Marie Epitalon, Andreas Hofmann, Bernard Gentili, Jim Orr and Karline Soetaert
+Description: Calculates parameters of the seawater carbonate system
+Maintainer: Jean-Pierre Gattuso <gattuso at obs-vlfr.fr>
+URL: http://www.obs-vlfr.fr/~gattuso/seacarb.php
+License: GPL version 2 or newer
+Packaged: Wed Apr 22 17:23:32 2009; gattuso
Modified: pkg/seacarb/R/K1.R
===================================================================
--- pkg/seacarb/R/K1.R 2009-04-22 14:42:29 UTC (rev 12)
+++ pkg/seacarb/R/K1.R 2009-04-23 21:17:01 UTC (rev 13)
@@ -1,129 +1,141 @@
-# Copyright (C) 2008 Jean-Pierre Gattuso and Héloïse Lavigne and Aurélien 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
-#
-"K1" <-
-function(S=35,T=25,P=0,k1k2='l')
-{
-
-nK <- max(length(S), length(T), length(P), length(k1k2))
-
-##-------- 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(k1k2)!=nK){k1k2 <- rep(k1k2[1], nK)}
-
-
-#-------Constantes----------------
-
-#---- issues de equic----
-tk = 273.15; # [K] (for conversion [deg C] <-> [K])
-TK = T + tk; # TC [C]; T[K]
-Cl = S / 1.80655; # Cl = chlorinity; S = salinity (per mil)
-cl3 = Cl^(1/3);
-ION = 0.00147 + 0.03592 * Cl + 0.000068 * Cl * Cl; # ionic strength
-iom0 = 19.924*S/(1000-1.005*S);
-ST = 0.14/96.062/1.80655*S; # (mol/kg soln) total sulfate
-
-
-bor = (416.*(S/35.))* 1e-6; # (mol/kg), DOE94
-
-# --------------------- K1 ---------------------------------------
-# first acidity constant:
-# [H^+] [HCO_3^-] / [CO2] = K_1
-#
-# Mehrbach et al (1973) refit by Lueker et al. (2000).
-#
-#(Lueker et al., 2000 in Guide to the Best Practices for Ocean CO2 Measurements
-# Dickson, Sabin and Christian , 2007, Chapter 5, p. 13)
-#
-# pH-scale: 'total'. mol/kg-soln
-
-logK1lue <- (-3633.86)/TK + 61.2172 - 9.67770*log(TK) + 0.011555*S - 0.0001152*S*S
-K1lue <- 10^logK1lue
-
-# --------------------- K1 ---------------------------------------
-# first acidity constant:
-# [H^+] [HCO_3^-] / [CO2] = K_1
-#
-# (Roy et al., 1993 in Dickson and Goyet, 1994, Chapter 5, p. 14)
-# pH-scale: 'total'. mol/kg-soln
-
-tmp1 = 2.83655 - 2307.1266 / TK - 1.5529413 * log(TK);
-tmp2 = - (0.20760841 + 4.0484 / TK) * sqrt(S);
-tmp3 = + 0.08468345 * S - 0.00654208 * S * sqrt(S);
-tmp4 = + log(1 - 0.001005 * S);
-
-lnK1roy = tmp1 + tmp2 + tmp3 + tmp4;
-
- K1roy = exp(lnK1roy);
-
-
-# ---------- Choice between methods (Lueker or Roy) ----------
-
-K1 <- K1lue
-
-for(i in (1:nK)){
-if(k1k2[i]=='l'){K1[i] <- K1lue[i] }
-if(k1k2[i]=='r'){K1[i] <- K1roy[i] }
-}
-
-# ------------------- Pression effect --------------------------------
-for(i in (1:nK)){
-if (P[i] > 0.0)
-{
-
- RGAS = 8.314510; # J mol-1 deg-1 (perfect Gas)
- R = 83.14472; # mol bar deg-1
- # conversion cm3 -> m3 *1.e-6
- # bar -> Pa = N m-2 *1.e+5
- # => *1.e-1 or *1/10
-
-
- # index: K1 1, K2 2, Kb 3, Kw 4, Ks 5, Kf 6, Kspc 7, Kspa 8,
- # K1P 9, K2P 10, K3P 11
-
- #----- note: there is an error in Table 9 of Millero, 1995.
- #----- The coefficients -b0 and b1
- #----- have to be multiplied by 1.e-3!
-
- #----- there are some more errors!
- #----- the signs (+,-) of coefficients in Millero 95 do not
- #----- agree with Millero 79
-
-
-
- a0 = c(-25.5, -15.82, -29.48, -25.60, -18.03, -9.78, -48.76, -46, -14.51, -23.12, -26.57);
- a1 = c(0.1271, -0.0219, 0.1622, 0.2324, 0.0466, -0.0090, 0.5304, 0.5304, 0.1211, 0.1758, 0.2020);
- a2 = c(0.0, 0.0, 2.608*1e-3, -3.6246*1e-3, 0.316*1e-3, -0.942*1e-3, 0.0, 0.0, -0.321*1e-3, -2.647*1e-3, -3.042*1e-3);
- b0 = c(-3.08*1e-3, 1.13*1e-3, -2.84*1e-3, -5.13*1e-3, -4.53*1e-3, -3.91*1e-3, -11.76*1e-3, -11.76*1e-3, -2.67*1e-3, -5.15*1e-3, -4.08*1e-3);
- b1 = c(0.0877*1e-3, -0.1475*1e-3, 0.0, 0.0794*1e-3, 0.09*1e-3, 0.054*1e-3, 0.3692*1e-3, 0.3692*1e-3, 0.0427*1e-3, 0.09*1e-3, 0.0714*1e-3);
- b2 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
-
- deltav = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
- deltak = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
- lnkpok0 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
-
- for (ipc in 1:length(a0))
- {
- deltav[ipc] = a0[ipc] + a1[ipc] *T[i] + a2[ipc] *T[i]*T[i];
- deltak[ipc] = (b0[ipc] + b1[ipc] *T[i] + b2[ipc] *T[i]*T[i]);
- lnkpok0[ipc] = -(deltav[ipc] /(R*TK[i]))*P[i] + (0.5*deltak[ipc] /(R*TK[i]))*P[i]*P[i];
- }
-
- K1[i] = K1[i]*exp(lnkpok0[1]);
-
-}
-}
-attr(K1,"unit") = "mol/kg-soln"
-attr(K1,"pH scale") = "total hydrogen ion concentration"
-return(K1)
-}
+# Copyright (C) 2008 Jean-Pierre Gattuso and Héloïse Lavigne and Aurélien 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
+#
+"K1" <-
+function(S=35,T=25,P=0,k1k2='l',pHscale="T")
+{
+
+nK <- max(length(S), length(T), length(P), length(k1k2), length(pHscale))
+
+##-------- 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(k1k2)!=nK){k1k2 <- rep(k1k2[1], nK)}
+if(length(pHscale)!=nK){pHscale <- rep(pHscale[1], nK)}
+
+
+#-------Constantes----------------
+
+#---- issues de equic----
+tk = 273.15; # [K] (for conversion [deg C] <-> [K])
+TK = T + tk; # TC [C]; T[K]
+Cl = S / 1.80655; # Cl = chlorinity; S = salinity (per mil)
+cl3 = Cl^(1/3);
+ION = 0.00147 + 0.03592 * Cl + 0.000068 * Cl * Cl; # ionic strength
+iom0 = 19.924*S/(1000-1.005*S);
+ST = 0.14/96.062/1.80655*S; # (mol/kg soln) total sulfate
+
+
+bor = (416.*(S/35.))* 1e-6; # (mol/kg), DOE94
+
+# --------------------- K1 ---------------------------------------
+# first acidity constant:
+# [H^+] [HCO_3^-] / [CO2] = K_1
+#
+# Mehrbach et al (1973) refit by Lueker et al. (2000).
+#
+#(Lueker et al., 2000 in Guide to the Best Practices for Ocean CO2 Measurements
+# Dickson, Sabin and Christian , 2007, Chapter 5, p. 13)
+#
+# pH-scale: 'total'. mol/kg-soln
+
+logK1lue <- (-3633.86)/TK + 61.2172 - 9.67770*log(TK) + 0.011555*S - 0.0001152*S*S
+K1lue <- 10^logK1lue
+
+# --------------------- K1 ---------------------------------------
+# first acidity constant:
+# [H^+] [HCO_3^-] / [CO2] = K_1
+#
+# (Roy et al., 1993 in Dickson and Goyet, 1994, Chapter 5, p. 14)
+# pH-scale: 'total'. mol/kg-soln
+
+tmp1 = 2.83655 - 2307.1266 / TK - 1.5529413 * log(TK);
+tmp2 = - (0.20760841 + 4.0484 / TK) * sqrt(S);
+tmp3 = + 0.08468345 * S - 0.00654208 * S * sqrt(S);
+tmp4 = + log(1 - 0.001005 * S);
+
+lnK1roy = tmp1 + tmp2 + tmp3 + tmp4;
+
+ K1roy = exp(lnK1roy);
+
+
+# ---------- Choice between methods (Lueker or Roy) ----------
+
+K1 <- K1lue
+
+for(i in (1:nK)){
+if(k1k2[i]=='l'){K1[i] <- K1lue[i] }
+if(k1k2[i]=='r'){K1[i] <- K1roy[i] }
+}
+
+# ------------------- Pression effect --------------------------------
+for(i in (1:nK)){
+if (P[i] > 0.0)
+{
+
+ RGAS = 8.314510; # J mol-1 deg-1 (perfect Gas)
+ R = 83.14472; # mol bar deg-1
+ # conversion cm3 -> m3 *1.e-6
+ # bar -> Pa = N m-2 *1.e+5
+ # => *1.e-1 or *1/10
+
+
+ # index: K1 1, K2 2, Kb 3, Kw 4, Ks 5, Kf 6, Kspc 7, Kspa 8,
+ # K1P 9, K2P 10, K3P 11
+
+ #----- note: there is an error in Table 9 of Millero, 1995.
+ #----- The coefficients -b0 and b1
+ #----- have to be multiplied by 1.e-3!
+
+ #----- there are some more errors!
+ #----- the signs (+,-) of coefficients in Millero 95 do not
+ #----- agree with Millero 79
+
+
+
+ a0 = c(-25.5, -15.82, -29.48, -25.60, -18.03, -9.78, -48.76, -46, -14.51, -23.12, -26.57);
+ a1 = c(0.1271, -0.0219, 0.1622, 0.2324, 0.0466, -0.0090, 0.5304, 0.5304, 0.1211, 0.1758, 0.2020);
+ a2 = c(0.0, 0.0, 2.608*1e-3, -3.6246*1e-3, 0.316*1e-3, -0.942*1e-3, 0.0, 0.0, -0.321*1e-3, -2.647*1e-3, -3.042*1e-3);
+ b0 = c(-3.08*1e-3, 1.13*1e-3, -2.84*1e-3, -5.13*1e-3, -4.53*1e-3, -3.91*1e-3, -11.76*1e-3, -11.76*1e-3, -2.67*1e-3, -5.15*1e-3, -4.08*1e-3);
+ b1 = c(0.0877*1e-3, -0.1475*1e-3, 0.0, 0.0794*1e-3, 0.09*1e-3, 0.054*1e-3, 0.3692*1e-3, 0.3692*1e-3, 0.0427*1e-3, 0.09*1e-3, 0.0714*1e-3);
+ b2 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+
+ deltav = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+ deltak = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+ lnkpok0 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+
+ for (ipc in 1:length(a0))
+ {
+ deltav[ipc] = a0[ipc] + a1[ipc] *T[i] + a2[ipc] *T[i]*T[i];
+ deltak[ipc] = (b0[ipc] + b1[ipc] *T[i] + b2[ipc] *T[i]*T[i]);
+ lnkpok0[ipc] = -(deltav[ipc] /(R*TK[i]))*P[i] + (0.5*deltak[ipc] /(R*TK[i]))*P[i]*P[i];
+ }
+
+ K1[i] = K1[i]*exp(lnkpok0[1]);
+
+}
+}
+
+###----------------pH scale corrections
+factor <- rep(NA,nK)
+pHsc <- rep(NA,nK)
+for(i in (1:nK)){
+ if(pHscale[i]=="T"){factor[i] <- 1 ; pHsc[i] <- "total scale"}
+ if(pHscale[i]=="F"){factor[i] <- kconv(S=S[i], T=T[i], P=P[i])$ktotal2free ; pHsc[i] <- "free scale"}
+ if(pHscale[i]=="SWS"){factor[i] <- kconv(S=S[i], T=T[i], P=P[i])$ktotal2SWS ; pHsc[i] <- "seawater scale"}
+K1[i] <- K1[i]*factor[i]
+}
+
+attr(K1,"unit") = "mol/kg-soln"
+attr(K1,"pH scale") = pHsc
+return(K1)
+}
Modified: pkg/seacarb/R/K1p.R
===================================================================
--- pkg/seacarb/R/K1p.R 2009-04-22 14:42:29 UTC (rev 12)
+++ pkg/seacarb/R/K1p.R 2009-04-23 21:17:01 UTC (rev 13)
@@ -1,99 +1,111 @@
-# 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
-#
-#
-"K1p" <-
-function(S=35,T=25,P=0){
-
-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)}
-
-
-#-------Constantes----------------
-
-#---- issues de equic----
-tk = 273.15; # [K] (for conversion [deg C] <-> [K])
-TC = T + tk; # TC [C]; T[K]
-Cl = S / 1.80655; # Cl = chlorinity; S = salinity (per mille)
-cl3 = Cl^(1/3);
-ION = 0.00147 + 0.03592 * Cl + 0.000068 * Cl * Cl; # ionic strength
-iom0 = 19.924*S/(1000-1.005*S);
-ST = 0.14/96.062/1.80655*S; # (mol/kg soln) total sulfate
-
-
-bor = (416.*(S/35.))* 1e-6; # (mol/kg), DOE94
-
- # --------------------- Phosphoric acid ---------------------
- #
- # (DOE, 1994) (Dickson and Goyet): pH_T, mol/(kg-soln)
- # Ch.5 p. 16
- #
-
- lnK1P = -4576.752 / TC + 115.525 - 18.453*log(TC) + (-106.736 / TC + 0.69171) * sqrt(S) + (-0.65643 / TC - 0.01844) * S;
-
- K1P = exp(lnK1P);
-
-for(i in (1:nK)){
- if (P[i] > 0.0)
- {
-
- RGAS = 8.314510; # J mol-1 deg-1 (perfect Gas)
- R = 83.14472; # mol bar deg-1
- # conversion cm3 -> m3 *1.e-6
- # bar -> Pa = N m-2 *1.e+5
- # => *1.e-1 or *1/10
-
-
- # index: K1 1, K2 2, Kb 3, Kw 4, Ks 5, Kf 6, Kspc 7, Kspa 8,
- # K1P 9, K2P 10, K3P 11
-
- #----- note: there is an error in Table 9 of Millero, 1995.
- #----- The coefficients -b0 and b1
- #----- have to be multiplied by 1.e-3!
-
- #----- there are some more errors!
- #----- the signs (+,-) of coefficients in Millero 95 do not
- #----- agree with Millero 79
-
-
-
- a0 = c(-25.5, -15.82, -29.48, -25.60, -18.03, -9.78, -48.76, -46, -14.51, -23.12, -26.57);
- a1 = c(0.1271, -0.0219, 0.1622, 0.2324, 0.0466, -0.0090, 0.5304, 0.5304, 0.1211, 0.1758, 0.2020);
- a2 = c(0.0, 0.0, 2.608*1e-3, -3.6246*1e-3, 0.316*1e-3, -0.942*1e-3, 0.0, 0.0, -0.321*1e-3, -2.647*1e-3, -3.042*1e-3);
- b0 = c(-3.08*1e-3, 1.13*1e-3, -2.84*1e-3, -5.13*1e-3, -4.53*1e-3, -3.91*1e-3, -11.76*1e-3, -11.76*1e-3, -2.67*1e-3, -5.15*1e-3, -4.08*1e-3);
- b1 = c(0.0877*1e-3, -0.1475*1e-3, 0.0, 0.0794*1e-3, 0.09*1e-3, 0.054*1e-3, 0.3692*1e-3, 0.3692*1e-3, 0.0427*1e-3, 0.09*1e-3, 0.0714*1e-3);
- b2 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
-
- deltav = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
- deltak = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
- lnkpok0 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
-
- for (ipc in 1:length(a0))
- {
- deltav[ipc] = a0[ipc] + a1[ipc] *T[i] + a2[ipc] *T[i]*T[i];
- deltak[ipc] = (b0[ipc] + b1[ipc] *T[i] + b2[ipc] *T[i]*T[i]);
- lnkpok0[ipc] = -(deltav[ipc] /(R*TC[i]))*P[i] + (0.5*deltak[ipc] /(R*TC[i]))*P[i]*P[i];
- }
-
- K1P[i] = K1P[i]*exp(lnkpok0[9]);
-
-
- }
-}
-
- attr(K1P,"unit") = "mol/kg-soln"
- attr(K1P,"pH scale") = "total hydrogen ion concentration"
- return(K1P)
-}
+# 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
+#
+#
+"K1p" <-
+function(S=35,T=25,P=0,pHscale="T"){
+
+nK <- max(length(S), length(T), length(P), length(pHscale))
+
+##-------- 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(pHscale)!=nK){pHscale <- rep(pHscale[1], nK)}
+
+
+#-------Constantes----------------
+
+#---- issues de equic----
+tk = 273.15; # [K] (for conversion [deg C] <-> [K])
+TC = T + tk; # TC [C]; T[K]
+Cl = S / 1.80655; # Cl = chlorinity; S = salinity (per mille)
+cl3 = Cl^(1/3);
+ION = 0.00147 + 0.03592 * Cl + 0.000068 * Cl * Cl; # ionic strength
+iom0 = 19.924*S/(1000-1.005*S);
+ST = 0.14/96.062/1.80655*S; # (mol/kg soln) total sulfate
+
+
+bor = (416.*(S/35.))* 1e-6; # (mol/kg), DOE94
+
+ # --------------------- Phosphoric acid ---------------------
+ #
+ # (DOE, 1994) (Dickson and Goyet): pH_T, mol/(kg-soln)
+ # Ch.5 p. 16
+ #
+
+ lnK1P = -4576.752 / TC + 115.525 - 18.453*log(TC) + (-106.736 / TC + 0.69171) * sqrt(S) + (-0.65643 / TC - 0.01844) * S;
+
+ K1P = exp(lnK1P);
+
+for(i in (1:nK)){
+ if (P[i] > 0.0)
+ {
+
+ RGAS = 8.314510; # J mol-1 deg-1 (perfect Gas)
+ R = 83.14472; # mol bar deg-1
+ # conversion cm3 -> m3 *1.e-6
+ # bar -> Pa = N m-2 *1.e+5
+ # => *1.e-1 or *1/10
+
+
+ # index: K1 1, K2 2, Kb 3, Kw 4, Ks 5, Kf 6, Kspc 7, Kspa 8,
+ # K1P 9, K2P 10, K3P 11
+
+ #----- note: there is an error in Table 9 of Millero, 1995.
+ #----- The coefficients -b0 and b1
+ #----- have to be multiplied by 1.e-3!
+
+ #----- there are some more errors!
+ #----- the signs (+,-) of coefficients in Millero 95 do not
+ #----- agree with Millero 79
+
+
+
+ a0 = c(-25.5, -15.82, -29.48, -25.60, -18.03, -9.78, -48.76, -46, -14.51, -23.12, -26.57);
+ a1 = c(0.1271, -0.0219, 0.1622, 0.2324, 0.0466, -0.0090, 0.5304, 0.5304, 0.1211, 0.1758, 0.2020);
+ a2 = c(0.0, 0.0, 2.608*1e-3, -3.6246*1e-3, 0.316*1e-3, -0.942*1e-3, 0.0, 0.0, -0.321*1e-3, -2.647*1e-3, -3.042*1e-3);
+ b0 = c(-3.08*1e-3, 1.13*1e-3, -2.84*1e-3, -5.13*1e-3, -4.53*1e-3, -3.91*1e-3, -11.76*1e-3, -11.76*1e-3, -2.67*1e-3, -5.15*1e-3, -4.08*1e-3);
+ b1 = c(0.0877*1e-3, -0.1475*1e-3, 0.0, 0.0794*1e-3, 0.09*1e-3, 0.054*1e-3, 0.3692*1e-3, 0.3692*1e-3, 0.0427*1e-3, 0.09*1e-3, 0.0714*1e-3);
+ b2 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+
+ deltav = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+ deltak = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+ lnkpok0 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+
+ for (ipc in 1:length(a0))
+ {
+ deltav[ipc] = a0[ipc] + a1[ipc] *T[i] + a2[ipc] *T[i]*T[i];
+ deltak[ipc] = (b0[ipc] + b1[ipc] *T[i] + b2[ipc] *T[i]*T[i]);
+ lnkpok0[ipc] = -(deltav[ipc] /(R*TC[i]))*P[i] + (0.5*deltak[ipc] /(R*TC[i]))*P[i]*P[i];
+ }
+
+ K1P[i] = K1P[i]*exp(lnkpok0[9]);
+
+
+ }
+}
+
+###----------------pH scale corrections
+factor <- rep(NA,nK)
+pHsc <- rep(NA,nK)
+for(i in (1:nK)){
+ if(pHscale[i]=="T"){factor[i] <- 1 ; pHsc[i] <- "total scale"}
+ if(pHscale[i]=="F"){factor[i] <- kconv(S=S[i], T=T[i], P=P[i])$ktotal2free ; pHsc[i] <- "free scale"}
+ if(pHscale[i]=="SWS"){factor[i] <- kconv(S=S[i], T=T[i], P=P[i])$ktotal2SWS ; pHsc[i] <- "seawater scale"}
+K1P[i] <- K1P[i]*factor[i]
+}
+
+
+ attr(K1P,"unit") = "mol/kg-soln"
+ attr(K1P,"pH scale") = pHsc
+ return(K1P)
+}
Modified: pkg/seacarb/R/K2.R
===================================================================
--- pkg/seacarb/R/K2.R 2009-04-22 14:42:29 UTC (rev 12)
+++ pkg/seacarb/R/K2.R 2009-04-23 21:17:01 UTC (rev 13)
@@ -1,137 +1,148 @@
-# Copyright (C) 2008 Jean-Pierre Gattuso and Héloïse Lavigne and Aurélien 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
-#
-#
-"K2" <-
-function(S=35,T=25,P=0,k1k2='l'){
-
-nK <- max(length(S), length(T), length(P), length(k1k2))
-
-##-------- 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(k1k2)!=nK){k1k2 <- rep(k1k2[1], nK)}
-
-
-#-------Constantes----------------
-
-#---- issues de equic----
-tk = 273.15; # [K] (for conversion [deg C] <-> [K])
-TK = T + tk; # TC [C]; T[K]
-Cl = S / 1.80655; # Cl = chlorinity; S = salinity (per mille)
-cl3 = Cl^(1/3);
-ION = 0.00147 + 0.03592 * Cl + 0.000068 * Cl * Cl; # ionic strength
-iom0 = 19.924*S/(1000-1.005*S);
-ST = 0.14/96.062/1.80655*S; # (mol/kg soln) total sulfate
-
-bor = (416.*(S/35.))* 1e-6; # (mol/kg), DOE94
-
-
-
-# --------------------- K2 lueker et al. 2000 ------------------------------
-#
-# second acidity constant:
-# [H^+] [CO_3^--] / [HCO_3^-] = K_2
-#
-# Mehrbach et al. (1973) refit by Lueker et al. (2000).
-#
-# (Lueker et al., 2000 in Guide to the Best Practices for Ocean CO2 Measurements
-# Dickson, Sabin and Christian , 2007, Chapter 5, p. 14)
-#
-# pH-scale: 'total'. mol/kg-soln
-
-logK2lue <- -471.78/TK - 25.9290 + 3.16967*log(TK) + 0.01781*S - 0.0001122*S*S
-
-K2lue <- 10^(logK2lue)
-
-
-
-# --------------------- K2 Roy et al. 1993----------------------------------------
-#
-# second acidity constant:
-# [H^+] [CO_3^--] / [HCO_3^-] = K_2
-#
-# (Roy et al., 1993 in Dickson and Goyet, 1994, Chapter 5, p. 15)
-# pH-scale: 'total'. mol/kg-soln
-
-tmp1 = -9.226508 - 3351.6106 / TK - 0.2005743 * log(TK);
-tmp2 = (-0.106901773 - 23.9722 / TK) * sqrt(S);
-tmp3 = 0.1130822 * S - 0.00846934 * S^1.5 + log(1 - 0.001005 * S);
-
-lnK2roy = tmp1 + tmp2 + tmp3;
-
-K2roy <- exp(lnK2roy)
-
-# ---------- Choice between methods (Lueker or Roy) ----------
-
-K2 <- K2lue
-
-for(i in (1:nK)){
-if(k1k2[i]=='l'){K2[i] <- K2lue[i] }
-if(k1k2[i]=='r'){K2[i] <- K2roy[i] }
-}
-
-# ------------------- Pression effect --------------------------------
-for(i in (1:nK)){
-if (P[i] > 0.0)
-{
-
- RGAS = 8.314510; # J mol-1 deg-1 (perfect Gas)
- R = 83.14472; # mol bar deg-1
- # conversion cm3 -> m3 *1.e-6
- # bar -> Pa = N m-2 *1.e+5
- # => *1.e-1 or *1/10
-
-
- # index: K1 1, K2 2, Kb 3, Kw 4, Ks 5, Kf 6, Kspc 7, Kspa 8,
- # K1P 9, K2P 10, K3P 11
-
- #----- note: there is an error in Table 9 of Millero, 1995.
- #----- The coefficients -b0 and b1
- #----- have to be multiplied by 1.e-3!
-
- #----- there are some more errors!
- #----- the signs (+,-) of coefficients in Millero 95 do not
- #----- agree with Millero 79
-
-
-
- a0 = c(-25.5, -15.82, -29.48, -25.60, -18.03, -9.78, -48.76, -46, -14.51, -23.12, -26.57);
- a1 = c(0.1271, -0.0219, 0.1622, 0.2324, 0.0466, -0.0090, 0.5304, 0.5304, 0.1211, 0.1758, 0.2020);
- a2 = c(0.0, 0.0, 2.608*1e-3, -3.6246*1e-3, 0.316*1e-3, -0.942*1e-3, 0.0, 0.0, -0.321*1e-3, -2.647*1e-3, -3.042*1e-3);
- b0 = c(-3.08*1e-3, 1.13*1e-3, -2.84*1e-3, -5.13*1e-3, -4.53*1e-3, -3.91*1e-3, -11.76*1e-3, -11.76*1e-3, -2.67*1e-3, -5.15*1e-3, -4.08*1e-3);
- b1 = c(0.0877*1e-3, -0.1475*1e-3, 0.0, 0.0794*1e-3, 0.09*1e-3, 0.054*1e-3, 0.3692*1e-3, 0.3692*1e-3, 0.0427*1e-3, 0.09*1e-3, 0.0714*1e-3);
- b2 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
-
- deltav = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
- deltak = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
- lnkpok0 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
-
- for (ipc in 1:length(a0))
- {
- deltav[ipc] = a0[ipc] + a1[ipc] *T[i] + a2[ipc] *T[i]*T[i];
- deltak[ipc] = (b0[ipc] + b1[ipc] *T[i] + b2[ipc] *T[i]*T[i]);
- lnkpok0[ipc] = -(deltav[ipc] /(R*TK[i]))*P[i] + (0.5*deltak[ipc] /(R*TK[i]))*P[i]*P[i];
- }
-
- K2[i] <- K2[i]*exp(lnkpok0[2])
-}
-}
-
-attr(K2,"unit") = "mol/kg-soln"
-attr(K2,"pH scale") = "total hydrogen ion concentration"
-return(K2)
-}
-
-
-
-
+# Copyright (C) 2008 Jean-Pierre Gattuso and Héloïse Lavigne and Aurélien 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
+#
+#
+"K2" <-
+function(S=35,T=25,P=0,k1k2='l',pHscale="T"){
+
+nK <- max(length(S), length(T), length(P), length(k1k2), length(pHscale))
+
+##-------- 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(k1k2)!=nK){k1k2 <- rep(k1k2[1], nK)}
+if(length(pHscale)!=nK){pHscale <- rep(pHscale[1], nK)}
+
+
+#-------Constantes----------------
+
+#---- issues de equic----
+tk = 273.15; # [K] (for conversion [deg C] <-> [K])
+TK = T + tk; # TC [C]; T[K]
+Cl = S / 1.80655; # Cl = chlorinity; S = salinity (per mille)
+cl3 = Cl^(1/3);
+ION = 0.00147 + 0.03592 * Cl + 0.000068 * Cl * Cl; # ionic strength
+iom0 = 19.924*S/(1000-1.005*S);
+ST = 0.14/96.062/1.80655*S; # (mol/kg soln) total sulfate
+
+bor = (416.*(S/35.))* 1e-6; # (mol/kg), DOE94
+
+
+
+# --------------------- K2 lueker et al. 2000 ------------------------------
+#
+# second acidity constant:
+# [H^+] [CO_3^--] / [HCO_3^-] = K_2
+#
+# Mehrbach et al. (1973) refit by Lueker et al. (2000).
+#
+# (Lueker et al., 2000 in Guide to the Best Practices for Ocean CO2 Measurements
+# Dickson, Sabin and Christian , 2007, Chapter 5, p. 14)
+#
+# pH-scale: 'total'. mol/kg-soln
+
+logK2lue <- -471.78/TK - 25.9290 + 3.16967*log(TK) + 0.01781*S - 0.0001122*S*S
+
+K2lue <- 10^(logK2lue)
+
+
+
+# --------------------- K2 Roy et al. 1993----------------------------------------
+#
+# second acidity constant:
+# [H^+] [CO_3^--] / [HCO_3^-] = K_2
+#
+# (Roy et al., 1993 in Dickson and Goyet, 1994, Chapter 5, p. 15)
+# pH-scale: 'total'. mol/kg-soln
+
+tmp1 = -9.226508 - 3351.6106 / TK - 0.2005743 * log(TK);
+tmp2 = (-0.106901773 - 23.9722 / TK) * sqrt(S);
+tmp3 = 0.1130822 * S - 0.00846934 * S^1.5 + log(1 - 0.001005 * S);
+
+lnK2roy = tmp1 + tmp2 + tmp3;
+
+K2roy <- exp(lnK2roy)
+
+# ---------- Choice between methods (Lueker or Roy) ----------
+
+K2 <- K2lue
+
+for(i in (1:nK)){
+if(k1k2[i]=='l'){K2[i] <- K2lue[i] }
+if(k1k2[i]=='r'){K2[i] <- K2roy[i] }
+}
+
+# ------------------- Pression effect --------------------------------
+for(i in (1:nK)){
+if (P[i] > 0.0)
+{
+
+ RGAS = 8.314510; # J mol-1 deg-1 (perfect Gas)
+ R = 83.14472; # mol bar deg-1
+ # conversion cm3 -> m3 *1.e-6
+ # bar -> Pa = N m-2 *1.e+5
+ # => *1.e-1 or *1/10
+
+
+ # index: K1 1, K2 2, Kb 3, Kw 4, Ks 5, Kf 6, Kspc 7, Kspa 8,
+ # K1P 9, K2P 10, K3P 11
+
+ #----- note: there is an error in Table 9 of Millero, 1995.
+ #----- The coefficients -b0 and b1
+ #----- have to be multiplied by 1.e-3!
+
+ #----- there are some more errors!
+ #----- the signs (+,-) of coefficients in Millero 95 do not
+ #----- agree with Millero 79
+
+
+
+ a0 = c(-25.5, -15.82, -29.48, -25.60, -18.03, -9.78, -48.76, -46, -14.51, -23.12, -26.57);
+ a1 = c(0.1271, -0.0219, 0.1622, 0.2324, 0.0466, -0.0090, 0.5304, 0.5304, 0.1211, 0.1758, 0.2020);
+ a2 = c(0.0, 0.0, 2.608*1e-3, -3.6246*1e-3, 0.316*1e-3, -0.942*1e-3, 0.0, 0.0, -0.321*1e-3, -2.647*1e-3, -3.042*1e-3);
+ b0 = c(-3.08*1e-3, 1.13*1e-3, -2.84*1e-3, -5.13*1e-3, -4.53*1e-3, -3.91*1e-3, -11.76*1e-3, -11.76*1e-3, -2.67*1e-3, -5.15*1e-3, -4.08*1e-3);
+ b1 = c(0.0877*1e-3, -0.1475*1e-3, 0.0, 0.0794*1e-3, 0.09*1e-3, 0.054*1e-3, 0.3692*1e-3, 0.3692*1e-3, 0.0427*1e-3, 0.09*1e-3, 0.0714*1e-3);
+ b2 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+
+ deltav = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+ deltak = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+ lnkpok0 = c(0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0);
+
+ for (ipc in 1:length(a0))
+ {
+ deltav[ipc] = a0[ipc] + a1[ipc] *T[i] + a2[ipc] *T[i]*T[i];
+ deltak[ipc] = (b0[ipc] + b1[ipc] *T[i] + b2[ipc] *T[i]*T[i]);
+ lnkpok0[ipc] = -(deltav[ipc] /(R*TK[i]))*P[i] + (0.5*deltak[ipc] /(R*TK[i]))*P[i]*P[i];
+ }
+
+ K2[i] <- K2[i]*exp(lnkpok0[2])
+}
+}
+
+###----------------pH scale corrections
+factor <- rep(NA,nK)
+pHsc <- rep(NA,nK)
+for(i in (1:nK)){
+ if(pHscale[i]=="T"){factor[i] <- 1 ; pHsc[i] <- "total scale"}
+ if(pHscale[i]=="F"){factor[i] <- kconv(S=S[i], T=T[i], P=P[i])$ktotal2free ; pHsc[i] <- "free scale"}
+ if(pHscale[i]=="SWS"){factor[i] <- kconv(S=S[i], T=T[i], P=P[i])$ktotal2SWS ; pHsc[i] <- "seawater scale"}
+K2[i] <- K2[i]*factor[i]
+}
+
+attr(K2,"unit") = "mol/kg-soln"
+attr(K2,"pH scale") = pHsc
+return(K2)
+}
+
+
+
+
Modified: pkg/seacarb/R/K2p.R
===================================================================
--- pkg/seacarb/R/K2p.R 2009-04-22 14:42:29 UTC (rev 12)
+++ pkg/seacarb/R/K2p.R 2009-04-23 21:17:01 UTC (rev 13)
@@ -1,103 +1,114 @@
-# Copyright (C) 2008 Jean-Pierre Gattuso and Héloïse Lavigne and Aurélien 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
-#
-#
-"K2p" <-
-function(S=35,T=25,P=0){
-
-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)}
-
-
-#-------Constantes----------------
-
-#---- issues de equic----
-tk = 273.15; # [K] (for conversion [deg C] <-> [K])
-TK = T + tk; # T [C]; TK[K]
-Cl = S / 1.80655; # Cl = chlorinity; S = salinity (per mille)
-cl3 = Cl^(1/3);
-ION = 0.00147 + 0.03592 * Cl + 0.000068 * Cl * Cl; # ionic strength
-iom0 = 19.924*S/(1000-1.005*S);
-ST = 0.14/96.062/1.80655*S; # (mol/kg soln) total sulfate
-
-
-bor = (416.*(S/35.))* 1e-6; # (mol/kg), DOE94
-
[TRUNCATED]
To get the complete diff run:
svnlook diff /svnroot/seacarb -r 13
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