From 6565c8dc3a5b64b453dd8f23369224f902995bf3 Mon Sep 17 00:00:00 2001
From: Jeffrey Dick <j3ffdick@gmail.com>
Date: Thu, 23 May 2024 08:35:40 +0000
Subject: [PATCH] Add cerianite (CeO2) and chromite (FeCr2O4) from Robie and
 Hemingway (1995)

git-svn-id: svn://scm.r-forge.r-project.org/svnroot/chnosz/pkg/CHNOSZ@842 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
---
 DESCRIPTION                         |   4 ++--
 inst/NEWS.Rd                        |   6 +++++-
 inst/extdata/OBIGT/inorganic_cr.csv |   2 ++
 inst/extdata/OBIGT/refs.csv         |   2 +-
 inst/extdata/adds/OBIGT_check.csv   |   2 +-
 inst/extdata/thermo/stoich.csv.xz   | Bin 19904 -> 19932 bytes
 6 files changed, 11 insertions(+), 5 deletions(-)

diff --git a/DESCRIPTION b/DESCRIPTION
index f7b215b..5bd12b7 100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -1,6 +1,6 @@
-Date: 2024-05-19
+Date: 2024-05-22
 Package: CHNOSZ
-Version: 2.1.0-14
+Version: 2.1.0-15
 Title: Thermodynamic Calculations and Diagrams for Geochemistry
 Authors@R: c(
     person("Jeffrey", "Dick", , "j3ffdick@gmail.com", role = c("aut", "cre"),
diff --git a/inst/NEWS.Rd b/inst/NEWS.Rd
index 345ebad..b3c49fc 100644
--- a/inst/NEWS.Rd
+++ b/inst/NEWS.Rd
@@ -15,7 +15,7 @@
 \newcommand{\Cp}{\ifelse{latex}{\eqn{C_P}}{\ifelse{html}{\out{<I>C<sub>P</sub></I>}}{Cp}}}
 \newcommand{\DG0}{\ifelse{latex}{\eqn{{\Delta}G^{\circ}}}{\ifelse{html}{\out{&Delta;<I>G</I>&deg;}}{ΔG°}}}
 
-\section{Changes in CHNOSZ version 2.1.0-13 (2024-05-17)}{
+\section{Changes in CHNOSZ version 2.1.0-15 (2024-05-22)}{
 
     \itemize{
 
@@ -40,6 +40,10 @@
 
       \item Add alkylamines, benzylamines, and aminiums from \href{https://doi.org/10.1016/j.gca.2024.03.013}{Robinson et al. (2024)}.
 
+      \item \samp{OBIGT/inorganic_cr.csv}: Add cerianite (CeO\s{2}) and
+      chromite (FeCr\s{2}O\s{4}) from
+      \href{https://doi.org/10.3133/b2131}{Robie and Hemingway (1995)}.
+
     }
 
 }
diff --git a/inst/extdata/OBIGT/inorganic_cr.csv b/inst/extdata/OBIGT/inorganic_cr.csv
index a6bc4e5..a29dd51 100644
--- a/inst/extdata/OBIGT/inorganic_cr.csv
+++ b/inst/extdata/OBIGT/inorganic_cr.csv
@@ -158,3 +158,5 @@ carrollite,NA,Cu0.92Co2.07S4,cr2,HDR+24,NA,2024-02-05,CGL,J,-331157,-345026,174.
 rutherfordine,Rfd,UO2CO3,cr,NEA20,NA,2023-08-07,CGL,J,-1564701,-1691302,144.2,120.1,0,122.8563,0.04468312,-2706665,0,0,0,0,1273
 beta-UO2(OH)2,Sho,UO2(OH)2,cr,NEA20,NA,2023-08-07,CGL,J,-1398683,-1533800,138,141,0,41.8,0.2,3530000,0,0,0,0,1273
 Na2U2O7,Na2U2O7,Na2U2O7,cr,NEA20,NA,2023-08-07,CGL,J,-3011454,-3203800,275.9,227.3,0,262.83,0.014653,-3549000,0,0,0,0,1273
+chromite,Chr,FeCr2O4,cr,RH95,NA,2024-05-23,CGL,J,-1344500,-1445500,146,133.58,44.01,301.8,-0.04157,487700,-2803,1.147E-05,0,0,-1800
+cerianite,Cei,CeO2,cr,RH95,NA,2024-05-23,CGL,J,-1024600,-1088700,62.3,61.63,23.85,80.29,0.005699,-729400,-209.9,0,0,0,-1800
diff --git a/inst/extdata/OBIGT/refs.csv b/inst/extdata/OBIGT/refs.csv
index 6e6137d..6013825 100644
--- a/inst/extdata/OBIGT/refs.csv
+++ b/inst/extdata/OBIGT/refs.csv
@@ -57,7 +57,7 @@ HDM+94,"A. W. Hakin et al.",1994,"J. Chem. Soc., Faraday Trans. 90, 2027-2035","
 HSS95,"J. R. Haas, E. L. Shock and D. C. Sassani",1995,"Geochim. Cosmochim. Acta 59, 4329-4350","complexes of rare earth elements",https://doi.org/10.1016/0016-7037(95)00314-P
 PH95,"V. A. Pokrovskii and H. C. Helgeson",1995,"Am. J. Sci. 295, 1255-1342","aluminum species",https://doi.org/10.2475/ajs.295.10.1255
 PK95,"V. B. Parker and I. L. Khodakovskii",1995,"J. Phys. Chem. Ref. Data 24, 1699-1745",melanterite,https://doi.org/10.1063/1.555964
-RH95,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","gypsum, manganese, manganosite, pyrolusite, bixbyite, hausmannite, huebneritecobalt, cobalt monoxide, guite, cattierite, linnaeite, wustite, willemite, and zinc",https://doi.org/10.3133/b2131
+RH95,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","bixbyite, cattierite, cerianite, chromite, cobalt, cobalt monoxide, guite, gypsum, hausmannite, huebnerite, linnaeite, manganese, manganosite, pyrolusite, willemite, wustite, zinc",https://doi.org/10.3133/b2131
 RH95.1,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","hydrogen fluoride and hydrogen chloride",https://doi.org/10.3133/b2131
 RH95.2,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","dawsonite: Cp coefficients corrected in @TKSS14; Cp value at 25 &deg;C from @BPAH07, citing @FSR76",https://doi.org/10.3133/b2131
 RH95.3,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","almandine, dickite, glaucophane, grunerite, halloysite, pyrope: GHS and Cp at 25 &deg;C",https://doi.org/10.3133/b2131
diff --git a/inst/extdata/adds/OBIGT_check.csv b/inst/extdata/adds/OBIGT_check.csv
index 34073c7..9d81cc6 100644
--- a/inst/extdata/adds/OBIGT_check.csv
+++ b/inst/extdata/adds/OBIGT_check.csv
@@ -280,7 +280,7 @@
 "OBIGT","triethylaminium","aq","J",,3.11,
 "OBIGT","propylaminium","aq","J",,3.04,
 "OBIGT","dipropylaminium","aq","J",,3.06,
-"OBIGT","tripropylaminium","aq","J",,3.77,
+"OBIGT","tripropylaminium","aq","J",,3.35,
 "OBIGT","butylaminium","aq","J",,3.12,
 "OBIGT","dibutylamine","aq","J",,-1.3,
 "OBIGT","dibutylaminium","aq","J",,3.16,
diff --git a/inst/extdata/thermo/stoich.csv.xz b/inst/extdata/thermo/stoich.csv.xz
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