[CHNOSZ-commits] r266 - in pkg/CHNOSZ: . demo

[noreply at r-forge.r-project.org]

Author: jedick
Date: 2017-10-24 15:29:31 +0200 (Tue, 24 Oct 2017)
New Revision: 266

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/demo/go-IU.R
Log:
demo/go-IU.R: add points calculated using SUPCRTBL


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2017-10-23 15:12:50 UTC (rev 265)
+++ pkg/CHNOSZ/DESCRIPTION	2017-10-24 13:29:31 UTC (rev 266)
@@ -1,6 +1,6 @@
-Date: 2017-10-23
+Date: 2017-10-24
 Package: CHNOSZ
-Version: 1.1.0-64
+Version: 1.1.0-65
 Title: Thermodynamic Calculations for Geobiochemistry
 Author: Jeffrey Dick
 Maintainer: Jeffrey Dick <j3ffdick at gmail.com>

Modified: pkg/CHNOSZ/demo/go-IU.R
===================================================================
--- pkg/CHNOSZ/demo/go-IU.R	2017-10-23 15:12:50 UTC (rev 265)
+++ pkg/CHNOSZ/demo/go-IU.R	2017-10-24 13:29:31 UTC (rev 266)
@@ -38,11 +38,15 @@
 lines(T, -r2$out$logK, lty=2)
 lines(T, -r3$out$logK, lty=2, col="red")
 lines(T, -r4$out$logK, col="red")
+## add points calculated using the SUPCRTBL package
+points(seq(125, 350, 25), -c(3.489, 3.217, 2.967, 2.734, 2.517, 2.314, 2.124, 1.946, 1.781, 1.628), pch=4, col="red")
 ## add labels, legend, and title
 text(182.5, -3.17, "SUPCRT92\n(CHNOSZ default)", srt=48, cex=0.7, font=2)
 text(154, -3.04, "circa SUPCRTBL", srt=45, cex=0.7, font=2, col="red")
-legend("topleft", lty=c(1, 2, 2, 1), col=c("black", "black", "red", "red"), bty="n", cex=0.9,
-       legend=c("Kln,Bhm:HDNB78; SiO2(aq):SHS89", "Kln:Ber88 (SUPCRTBL uses HP11)", "+ Bhm:HRA91", "+ SiO2(aq):AS04"))
+legend("topleft", lty=c(1, 2, 2, 1, 0), pch=c(NA, NA, NA, NA, 4),
+       col=c("black", "black", "red", "red", "red"), bty="n", cex=0.9,
+       legend=c("Kln,Bhm:HDNB78; SiO2(aq):SHS89", "Kln:Ber88 (SUPCRTBL uses HP11)",
+                "+ Bhm:HRA91", "+ SiO2(aq):AS04", "SUPCRTBL"))
 legend("bottomright", pch=1, legend="Hemley et al., 1980", bty="n", cex=0.9)
 mtitle(c("Kaolinite - Boehmite", "After Zhu and Lu, 2009 Fig. A1"), cex=0.95)
 # Zhu and Lu, 2009: doi:10.1016/j.gca.2009.03.015
@@ -75,11 +79,13 @@
 ## plot the calculated logKs
 lines(T, Daw1$out$logK, col="red")
 lines(T, Daw2$out$logK, col="red", lty=2)
+## add points calculated using the SUPCRTBL package
+points(seq(25, 250, 25), c(-17.829, -16.523, -15.402, -14.425, -13.568, -12.815, -12.154, -11.581, -11.094, -10.699), pch=4, col="red")
 ## add labels, legend, and title
 text(182.5, -3.17, "SUPCRT92\n(CHNOSZ default)", srt=43, cex=0.7, font=2)
 text(145, -3.1, "SUPCRTBL", srt=41.5, cex=0.7, font=2, col="red")
-legend("topleft", lty=1:2, col="red", bty="n", cex=0.9,
-       legend=c("Daw Cp != 0", "Daw Cp = 0"))
+legend("topleft", lty=c(1, 2, 0), pch=c(NA, NA, 4), col="red", bty="n", cex=0.9,
+       legend=c("Daw Cp != 0", "Daw Cp = 0", "SUPCRTBL"))
 legend("bottomright", pch=1, legend="Ben\u00e9z\u00e9th et al., 2007", bty="n", cex=0.9)
 mtitle(c("Dawsonite - aqueous species", "After Zimmer et al., 2016 Fig. 2"), cex=0.95)
 # doi:10.1016/j.cageo.2016.02.013