[CHNOSZ-commits] r406 - in pkg/CHNOSZ: . inst inst/extdata/OBIGT vignettes

noreply at r-forge.r-project.org noreply at r-forge.r-project.org
Fri Feb 22 07:13:09 CET 2019


Author: jedick
Date: 2019-02-22 07:12:52 +0100 (Fri, 22 Feb 2019)
New Revision: 406

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/inst/NEWS
   pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv
   pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz
   pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv
   pkg/CHNOSZ/vignettes/anintro.Rmd
   pkg/CHNOSZ/vignettes/obigt.Rmd
   pkg/CHNOSZ/vignettes/obigt.bib
Log:
OBIGT/inorganic_aq.csv: Update Pd and Pt species


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2019-02-22 03:45:29 UTC (rev 405)
+++ pkg/CHNOSZ/DESCRIPTION	2019-02-22 06:12:52 UTC (rev 406)
@@ -1,6 +1,6 @@
 Date: 2019-02-22
 Package: CHNOSZ
-Version: 1.2.0-13
+Version: 1.2.0-14
 Title: Thermodynamic Calculations and Diagrams for Geochemistry
 Authors at R: c(
     person("Jeffrey", "Dick", , "j3ffdick at gmail.com", role = c("aut", "cre"),

Modified: pkg/CHNOSZ/inst/NEWS
===================================================================
--- pkg/CHNOSZ/inst/NEWS	2019-02-22 03:45:29 UTC (rev 405)
+++ pkg/CHNOSZ/inst/NEWS	2019-02-22 06:12:52 UTC (rev 406)
@@ -1,4 +1,4 @@
-CHANGES IN CHNOSZ 1.2.0-12 (2019-02-22)
+CHANGES IN CHNOSZ 1.2.0-14 (2019-02-22)
 ---------------------------------------
 
 CRAN COMPLIANCE
@@ -43,6 +43,12 @@
 - Add/replace data for Ag+ and Cu+ and their complexes from Akinfiev
   and Zotov, 2001 and 2010.
 
+- Update HCl(aq) with data from Tagirov et al., 1997.
+
+- Update Pd+2 and complexes with data from Tagirov et al., 2013.
+
+- Update Pt+2 and complexes with data from Tagirov et al., 2015.
+
 DOCUMENTATION
 
 - In demo/NaCl.R, indicate region not considered by Shock et al., 1992

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv	2019-02-22 03:45:29 UTC (rev 405)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv	2019-02-22 06:12:52 UTC (rev 406)
@@ -5,6 +5,23 @@
 Cu(Ac)2-,NA,Cu(CH3COO)2-,aq,"SK93.1 [S98]",NA,10.Sep.92,-165000,-219740,37,190.3,94.6,15.0715,29.0205,-5.6592,-3.9786,127.5564,35.7339,1.0691,-1
 Au(Ac),NA,AuCH3COO,aq,"SK93.1 [S98]",NA,10.Sep.92,-49870,-68310,48,56.1,61.8,10.213,17.1576,-0.9969,-3.4882,38.7432,8.3843,-0.03,0
 Au(Ac)2-,NA,Au(CH3COO)2-,aq,"SK93.1 [S98]",NA,10.Sep.92,-138240,-186750,61.3,132.8,118.3,18.1917,36.6392,-8.6534,-4.2936,90.461,24.0193,0.701,-1
+Pd+2,Pd+2,Pd+2,aq,"SS98a.3 [S98]",NA,9.Apr.92,42200,42540,-21.1,-5.7,-19.4,-0.3631,-8.6602,9.1359,-2.4209,17.1907,-4.1915,1.5579,2
+Pt+2,Pt+2,Pt+2,aq,"SS98a.3 [S98]",NA,9.Apr.92,61600,60900,-23.6,-7,-21.7,-0.6648,-9.3985,9.4293,-2.3904,16.8028,-4.4624,1.6005,2
+PdSO4,Pd(SO4),Pd(SO4),aq,"SS98a.3 [S98]",NA,14.Apr.92,-139000,-173450,-0.9,-20.1,4,2.3022,-2.1585,6.5951,-2.6897,-5.8662,-7.1207,-0.03,0
+PdO,PdO,PdO,aq,"SS98a.3 [S98]",NA,14.Apr.92,-11500,-24320,-9.5,-4.7,-16.3,-0.4755,-8.9398,9.256,-2.4093,3.1356,-3.9919,-0.03,0
+Pd(SO4)2-2,Pd(SO4)2-2,Pd(SO4)2-2,aq,"SS98a.3 [S98]",NA,14.Apr.95,-319640,-388900,19.2,-34.4,27.4,6.502,8.0916,2.5759,-3.1134,12.9271,-10.0418,2.9221,-2
+PtCl+,PtCl+,PtCl+,aq,"SS98a.3 [S98]",NA,14.Apr.95,18380,10030,-7,21.7,1.1,2.3363,-2.0793,6.5718,-2.6929,22.821,0.6543,0.6557,1
+PtCl2,PtCl2,PtCl2,aq,"SS98a.3 [S98]",NA,14.Apr.95,-22290,-41110,0.1,39.2,27.3,5.8026,6.3859,3.2424,-3.0429,24.6982,3.5025,-0.03,0
+PtCl3-,PtCl3-,PtCl3-,aq,"SS98a.3 [S98]",NA,14.Apr.95,-57760,-90150,-3.1,45.6,57.4,10.4995,17.8547,-1.2658,-3.517,42.0877,4.0842,1.6759,-1
+PtCl4-2,PtCl4-2,PtCl4-2,aq,"SS98a.3 [S98]",NA,14.Apr.95,-91210,-141160,-19.8,40.9,91.8,15.7103,30.5792,-6.27,-4.043,54.1382,2.3994,3.51,-2
+PtSO4,Pt(SO4),Pt(SO4),aq,"SS98a.3 [S98]",NA,14.Apr.95,-120300,-155850,-3.6,-21.4,2,2.0253,-2.837,6.8659,-2.6616,-6.6457,-7.3916,-0.03,0
+Pt(SO4)2-2,Pt(SO4)2-2,Pt(SO4)2-2,aq,"SS98a.3 [S98]",NA,14.Apr.95,-300670,-371080,16.4,-35.8,25.7,6.277,7.5454,2.7833,-3.0908,12.5104,-10.3208,2.9641,-2
+Pt(SO4)3-4,Pt(SO4)3-4,Pt(SO4)3-4,aq,"SS98a.3 [S98]",NA,14.Apr.95,-480380,-588630,36.3,-50.2,49.3,10.5204,17.906,-1.2876,-3.5191,31.4399,-13.2501,5.9335,-4
+PtOH+,Pt(OH)+,Pt(OH)+,aq,"SS98a.3 [S98]",NA,14.Apr.92,1560,-10700,-6.7,16.6,-15,-0.0659,-7.935,8.8518,-2.4509,21.9365,0.3468,0.6557,1
+PtO,PtO,PtO,aq,"SS98a.3 [S98]",NA,14.Apr.92,-1130,-15300,-13,-0.7,-17.9,-0.6945,-9.4705,9.4567,-2.3874,5.4799,-3.1771,-0.03,0
+PdOH+,Pd(OH)+,Pd(OH)+,aq,"SS98a.3 [S98]",NA,13.Jul.95,-13130,-24120,-3.4,12.8,-13.5,0.1226,-7.4741,8.6697,-2.4699,19.2537,-0.4271,0.6063,1
+Pd(SO4)3-4,Pd(SO4)3-4,Pd(SO4)3-4,aq,"SS98a.3 [S98]",NA,28.Jul.94,-499900,-603950,39.4,-48.2,50.8,10.7074,18.3646,-1.4712,-3.5381,32.1909,-12.8528,5.891,-4
+HCl,HCl,HCl,aq,"MS97.2 [S98]",SLOP98.11,30.Jul.96,-30410,-42054,3.2,NA,NA,1.2547,-4.7177,7.6043,-2.584,16.7134,2.8727,-0.7,0
 AgCl,AgCl,AgCl,aq,"SSH97.1 [S98]",NA,16.Sep.97,-17450,-18270,34.1,6.7,25.24,5.2088,4.9399,3.8015,-2.9832,9.8168,-1.6698,-0.03,0
 AgCl2-,AgCl2-,AgCl2-,aq,"SSH97.1 [S98]",NA,16.Sep.97,-51560,-61130,47,7.8,54.37,9.5149,15.4544,-0.3312,-3.4178,19.185,-1.4457,0.9169,-1
 AgCl3-2,AgCl3-2,AgCl3-2,aq,"SSH97.1 [S98]",NA,2.Oct.97,-82710,-105613,44.5,10.69,86.82,14.504,27.6363,-5.1192,-3.9214,35.8339,-0.857,2.5402,-2
@@ -34,3 +51,7 @@
 Al(Ac)3,NA,Al(CH3COO)3,aq,"SK93.1 [S98]",NA,5.Apr.93,-391100,-498280,-57,NA,NA,16.0545,31.4184,-6.597,-4.0777,156.5453,49.3293,-0.03,0
 Al(Mal)+,NA,AlC3H2O4+,aq,"PSK99.1 [S07]",NA,24.Aug.06,-289589,-331497,-16,-17.9,0,0,0,0,0,2.2763,-6.6807,0.7895,1
 Al(Oxal)+,NA,AlC2O4+,aq,"PSK99.1 [S07]",NA,24.Aug.06,-286615,-321675,-25.6,-25.8,0,0,0,0,0,-1.0645,-8.29,0.9437,1
+PdCl+,PdCl+,PdCl+,aq,"SS98a.3 [S98]",NA,16.Aug.15,3310,-3820,-3.9,21,5.1,2.6729,-1.2577,6.2503,-2.7269,24.1532,1.2501,0.6143,1
+PdCl2,PdCl2,PdCl2,aq,"SS98a.3 [S98]",NA,16.Aug.15,-34080,-51390,4.2,37.8,32.4,6.1933,7.3404,2.8664,-3.0824,28.0429,4.665,-0.03,0
+PdCl3-,PdCl3-,PdCl3-,aq,"SS98a.3 [S98]",NA,16.Aug.15,-68390,-98890,2.5,44.6,62.9,10.9057,18.8497,-1.6645,-3.5581,46.9452,6.0491,1.5895,-1
+PdCl4-2,PdCl4-2,PdCl4-2,aq,"SS98a.3 [S98]",NA,16.Aug.15,-102130,-149470,-11.7,41.4,96.8,16.1552,31.6662,-6.698,-4.088,61.6845,5.4024,3.3914,-2

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz	2019-02-22 03:45:29 UTC (rev 405)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz	2019-02-22 06:12:52 UTC (rev 406)
@@ -1,4 +1,4 @@
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-ÏÃ )x¯úª5Ÿ0
[TRUNCATED]

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    svnlook diff /svnroot/chnosz -r 406


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