[CHNOSZ-commits] r872 - in pkg/CHNOSZ: . inst inst/extdata/OBIGT inst/extdata/thermo vignettes
noreply at r-forge.r-project.org
noreply at r-forge.r-project.org
Sat Feb 15 08:43:40 CET 2025
Author: jedick
Date: 2025-02-15 08:43:39 +0100 (Sat, 15 Feb 2025)
New Revision: 872
Modified:
pkg/CHNOSZ/DESCRIPTION
pkg/CHNOSZ/inst/NEWS.Rd
pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv
pkg/CHNOSZ/inst/extdata/thermo/refs.csv
pkg/CHNOSZ/inst/extdata/thermo/stoich.csv.xz
pkg/CHNOSZ/vignettes/OBIGT.bib
Log:
OBIGT: Add Pd(HS)4-2 and Pt(HS)4-2 from Laskar et al. (2024)
Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION 2025-02-02 07:56:16 UTC (rev 871)
+++ pkg/CHNOSZ/DESCRIPTION 2025-02-15 07:43:39 UTC (rev 872)
@@ -1,6 +1,6 @@
-Date: 2025-02-02
+Date: 2025-02-15
Package: CHNOSZ
-Version: 2.1.0-43
+Version: 2.1.0-44
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.Rd
===================================================================
--- pkg/CHNOSZ/inst/NEWS.Rd 2025-02-02 07:56:16 UTC (rev 871)
+++ pkg/CHNOSZ/inst/NEWS.Rd 2025-02-15 07:43:39 UTC (rev 872)
@@ -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{Δ<I>G</I>°}}{ΔG°}}}
-\section{Changes in CHNOSZ version 2.1.0-42 (2025-01-22)}{
+\section{Changes in CHNOSZ version 2.1.0-44 (2025-02-15)}{
\subsection{OBIGT DEFAULT DATA}{
\itemize{
@@ -36,6 +36,9 @@
\item Add tantalum species from
\href{https://doi.org/10.1016/j.gca.2024.10.019}{Hu et al. (2024)}.
+ \item Add Pd(HS)\s{4}\S{-2} and Pt(HS)\s{4}\S{-2} from
+ \href{https://doi.org/10.1016/j.gca.2024.12.019}{Laskar et al. (2024)}.
+
\item Add Sn chloride complexes and updated parameters for Sn\S{+2},
Th\S{+4} from \href{https://doi.org/10.1016/j.gsf.2023.101624}{Liu et al.
(2023)}.
@@ -48,11 +51,11 @@
(FeCr\s{2}O\s{4}), and cassiterite (SnO\s{2}) from
\href{https://doi.org/10.3133/b2131}{Robie and Hemingway (1995)}.
- \item Restore steam (H\s{2}O,g) in \file{inorganic_gas.csv}.
-
\item Fix sign of \emph{c} parameter for nesquehonite. Thanks to
James Leong and Grayson Boyer.
+ \item Restore steam (H\s{2}O,g) in \file{inorganic_gas.csv}.
+
}
}
Modified: pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv 2025-02-02 07:56:16 UTC (rev 871)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv 2025-02-15 07:43:39 UTC (rev 872)
@@ -918,3 +918,5 @@
SnCl+,SnCl+,SnCl+,aq,LYX23,NA,2025-01-05,HKF,cal,-39962,-41670,17.5442,8.7913,9.2717,3.1277,-0.1446,5.8069,-2.773,13.8796,-1.2438,0.278,1
SnCl2,SnCl2,SnCl2,aq,LYX23,NA,2025-01-05,HKF,cal,-72232,-81852,33.2825,13.9082,37.0637,6.8239,8.8804,2.2598,-3.1461,13.9676,-0.2015,-0.038,0
SnCl3-,SnCl3-,SnCl3-,aq,LYX23,NA,2025-01-05,HKF,cal,-103547,-121668,47.0481,4.2091,68.0292,11.3814,20.0081,-2.1139,-3.6061,17.0106,-2.1772,0.9093,-1
+Pd(HS)4-2,Pd(HS)4-2,Pd(HS)4-2,aq,LBP24,NA,2025-02-15,HKF,cal,-11724,NA,52.919,-3.05,125.4,19.729,40.39,-10.1248,-4.4487,-6.481,12.5693,2.4,-2
+Pt(HS)4-2,Pt(HS)4-2,Pt(HS)4-2,aq,LBP24,NA,2025-02-15,HKF,cal,-14980,NA,45.303,48.502,126.9,19.9782,40.9985,-10.364,-4.4739,50.4082,10.5321,2.53,-2
Modified: pkg/CHNOSZ/inst/extdata/thermo/refs.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/thermo/refs.csv 2025-02-02 07:56:16 UTC (rev 871)
+++ pkg/CHNOSZ/inst/extdata/thermo/refs.csv 2025-02-15 07:43:39 UTC (rev 872)
@@ -314,5 +314,6 @@
RSS+24.1,"K. Robinson et al.",2024,"Geochim. Cosmochim. Acta 372, 62-80","corrected V for tripropylaminium",https://doi.org/10.1016/j.gca.2024.03.013
TAT+24,"B. R. Tagirov, N. N. Akinfiev et al.",2024,"Geochim. Cosmochim. Acta","Au-(hydro)sulfide species and SO<sub>4</sub><sup>-2</sup>-bearing species",https://doi.org/10.1016/j.gca.2024.08.022
TAZ24,"B. R. Tagirov, N. N. Akinfiev and A. V. Zotov",2024,"Geol. Ore Deposits 66, 581--597","Au hydroxide and chloride complexes",https://doi.org/10.1134/S1075701524600403
-HB24,"D. L. Huston and E. Bastrakov",2024,"Aust. J. Earth Sci.","Ga and In sulfate complexes [algorithms based on @SSH97]",https://doi.org/10.1080/08120099.2024.2423772
+HB24,"D. L. Huston and E. Bastrakov",2024,"Aust. J. Earth Sci. 71, 1125-1155","Ga and In sulfate complexes [algorithms based on @SSH97]",https://doi.org/10.1080/08120099.2024.2423772
HET+24,"B. Hu, B. Etschmann et al.",2024,"Geochim. Cosmochim. Acta","Ta(OH)<sub>3</sub>F<sub>3</sub><sup>-</sup> and TaF<sub>7</sub><sup>-2</sup>",https://doi.org/10.1016/j.gca.2024.10.019
+LBP24,"C. Laksar et al.",2024,"Geochim. Cosmochim. Acta","Pd(HS)<sub>4</sub><sup>-2</sup> and Pt(HS)<sub>4</sub><sup>-2</sup>",https://doi.org/10.1016/j.gca.2024.12.019
Modified: pkg/CHNOSZ/inst/extdata/thermo/stoich.csv.xz
===================================================================
(Binary files differ)
Modified: pkg/CHNOSZ/vignettes/OBIGT.bib
===================================================================
--- pkg/CHNOSZ/vignettes/OBIGT.bib 2025-02-02 07:56:16 UTC (rev 871)
+++ pkg/CHNOSZ/vignettes/OBIGT.bib 2025-02-15 07:43:39 UTC (rev 872)
@@ -1952,6 +1952,9 @@
journal = {Australian Journal of Earth Sciences},
title = {Germanium, indium, gallium and cadmium in zinc ores: a mineral system approach},
year = {2024},
+ number = {8},
+ pages = {1125--1155},
+ volume = {71},
doi = {10.1080/08120099.2024.2423772},
}
@@ -2011,3 +2014,11 @@
address = {Reston, VA},
url = {https://www.worldcat.org/oclc/8139446},
}
+
+ at Article{LBP24,
+ author = {C. Laskar and E. F. Bazarkina and G. S. Pokrovski},
+ journal = {Geochimica et Cosmochimica Acta},
+ title = {The role of sulfur in palladium transport and fractionation from platinum by hydrothermal fluids},
+ year = {2024},
+ doi = {10.1016/j.gca.2024.12.019},
+}
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