[CHNOSZ-commits] r605 - in pkg/CHNOSZ: . inst inst/extdata/OBIGT inst/extdata/adds inst/extdata/thermo vignettes
noreply at r-forge.r-project.org
noreply at r-forge.r-project.org
Thu Sep 10 03:48:19 CEST 2020
Author: jedick
Date: 2020-09-10 03:48:18 +0200 (Thu, 10 Sep 2020)
New Revision: 605
Modified:
pkg/CHNOSZ/DESCRIPTION
pkg/CHNOSZ/inst/NEWS.Rd
pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv
pkg/CHNOSZ/inst/extdata/adds/OBIGT_check.csv
pkg/CHNOSZ/inst/extdata/thermo/stoich.csv.xz
pkg/CHNOSZ/vignettes/OBIGT.bib
Log:
OBIGT/inorganic_cr.csv: Add huebnerite (MnWO4)
Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION 2020-08-26 03:02:04 UTC (rev 604)
+++ pkg/CHNOSZ/DESCRIPTION 2020-09-10 01:48:18 UTC (rev 605)
@@ -1,6 +1,6 @@
-Date: 2020-08-26
+Date: 2020-09-10
Package: CHNOSZ
-Version: 1.3.6-78
+Version: 1.3.6-79
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 2020-08-26 03:02:04 UTC (rev 604)
+++ pkg/CHNOSZ/inst/NEWS.Rd 2020-09-10 01:48:18 UTC (rev 605)
@@ -9,7 +9,7 @@
\newcommand{\s}{\ifelse{latex}{\eqn{_{#1}}}{\ifelse{html}{\out{<sub>#1</sub>}}{#1}}}
\newcommand{\S}{\ifelse{latex}{\eqn{^{#1}}}{\ifelse{html}{\out{<sup>#1</sup>}}{^#1}}}
-\section{Changes in CHNOSZ version 1.3.6-78 (2020-08-26)}{
+\section{Changes in CHNOSZ version 1.3.6-79 (2020-09-10)}{
\subsection{MAJOR CHANGES}{
\itemize{
@@ -101,6 +101,10 @@
(GHS) and \href{https://doi.org/10.1016/S0925-8388(98)00739-7}{Senoh et
al., 1998} (estimated Cp values).
+ \item Add huebnerite (MnWO\s{4}) from
+ \href{https://doi.org/10.1016/j.oregeorev.2019.103289}{Liu and Xiao,
+ 2020}.
+
\item Add GHS for almandine, dickite, fluorphlogopite, glaucophane,
grunerite, larnite, pyrope (\samp{SUPCRT92.csv}) and bromellite
(\samp{inorganic_cr.csv}) from
@@ -274,6 +278,7 @@
\item TODO: add empty diagram -> exceed.Ttr hint to anintro.Rmd.
+
}
}
Modified: pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv 2020-08-26 03:02:04 UTC (rev 604)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv 2020-09-10 01:48:18 UTC (rev 605)
@@ -142,3 +142,4 @@
hausmannite,NA,Mn3O4,cr,RH95,NA,2020-08-15,J,-1282500,-1384500,164.1,142.02,46.95,-7.432,94.87,-67.12,3396,0,0,0,1400
manganese,NA,Mn,cr,RH95,NA,2020-08-15,J,0,0,32.01,26.19,7.354,0,41.345,-2.7217,313.29,-1.3745,0,0,980
Mn(OH)2,NA,Mn(OH)2,cr,WEP+82.1,SUF+98,2020-08-15,J,-615000,-695400,99.2,114.7,NA,139.61,-85.25,0,0,0,0,0,700
+huebnerite,NA,MnWO4,cr,RH95,LX20,2020-09-10,J,-1235400,-1337600,132.5,NA,41.89,155.68,91.5,0.53,-1170,-5.31,0,0,1000
Modified: pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv 2020-08-26 03:02:04 UTC (rev 604)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv 2020-09-10 01:48:18 UTC (rev 605)
@@ -58,7 +58,7 @@
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","manganese, manganosite, pyrolusite, bixbyite, and hausmannite",https://pubs.er.usgs.gov/publication/b2131
+RH95,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","manganese, manganosite, pyrolusite, bixbyite, hausmannite, and heubnerite",https://pubs.er.usgs.gov/publication/b2131
RH95.1,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","hydrogen fluoride and hydrogen chloride",https://pubs.er.usgs.gov/publication/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 °C from @BPAH07, citing @FSR76",https://pubs.er.usgs.gov/publication/b2131
RH95.3,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","almandine, dickite, glaucophane, grunerite, pyrope (G and H not in SUPCRT92)",https://pubs.er.usgs.gov/publication/b2131
@@ -274,3 +274,4 @@
DEW19.6,"D. A. Sverjensky et al.",2019,"Deep Earth Water (DEW) spreadsheet","(Fe<sup>+2</sup>: HKF a<sub>1</sub>-a<sub>4</sub> parameters taken from @HS19, which are different from 2019 DEW spreadsheet)",http://www.dewcommunity.org
HS19,"F. Huang and D. A. Sverjensky",2019,"Geochim. Cosmochim. Acta 254, 192-230","ions and metal complexes",https://doi.org/10.1016/j.gca.2019.03.027
LA19,"D. E. LaRowe and J. P. Amend",2019,"Geomicrobiol. J. 36, 492-505","dimethylamine, trimethylamine, resorcinol, phloroglucinol, cyclohexane carboxylate, and cyclohexane carboxylic acid",https://doi.org/10.1080/01490451.2019.1573278
+LX20,"Liu and Xiao",2020,"Ore Geol. Rev. 117, 103289","huebnerite Cp",https://doi.org/10.1016/j.oregeorev.2019.103289
Modified: pkg/CHNOSZ/inst/extdata/adds/OBIGT_check.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/adds/OBIGT_check.csv 2020-08-26 03:02:04 UTC (rev 604)
+++ pkg/CHNOSZ/inst/extdata/adds/OBIGT_check.csv 2020-09-10 01:48:18 UTC (rev 605)
@@ -249,24 +249,24 @@
"OBIGT",1974,"orpiment","cr","J",,,-1036
"OBIGT",1982,"dawsonite","cr","J",,,19466
"OBIGT",1984,"ferberite","cr","J",1.21,,
-"OBIGT",2012,"octadecane","cr","cal",-2.63,,
-"OBIGT",2013,"nonadecane","cr","cal",-13.32,,
-"OBIGT",2014,"eicosane","cr","cal",-2.79,,
-"OBIGT",2015,"heneicosane","cr","cal",-8.61,,
-"OBIGT",2016,"docosane","cr","cal",-2.63,,
-"OBIGT",2017,"tricosane","cr","cal",-5.22,,
-"OBIGT",2018,"tetracosane","cr","cal",-2.02,,
-"OBIGT",2019,"pentacosane","cr","cal",-2.93,,
-"OBIGT",2020,"hexacosane","cr","cal",-1.29,,
-"OBIGT",2021,"heptacosane","cr","cal",-1.23,,
-"OBIGT",2073,"carbazole","cr","cal",-43.39,,
-"OBIGT",2114,"triphenylene","cr","cal",,,541
-"OBIGT",2427,"deoxyadenosine","cr","cal",,,-2977
-"OBIGT",2585,"ethylene","gas","cal",-4.59,,
-"OBIGT",2595,"3,5-dimethylphenol","gas","cal",,,628
-"OBIGT",2905,"nonacontane","liq","cal",,,635
-"OBIGT",2912,"2-methyloctane","liq","cal",10,,
-"OBIGT",3325,"5,6-dithiadecane","liq","cal",2,,
+"OBIGT",2013,"octadecane","cr","cal",-2.63,,
+"OBIGT",2014,"nonadecane","cr","cal",-13.32,,
+"OBIGT",2015,"eicosane","cr","cal",-2.79,,
+"OBIGT",2016,"heneicosane","cr","cal",-8.61,,
+"OBIGT",2017,"docosane","cr","cal",-2.63,,
+"OBIGT",2018,"tricosane","cr","cal",-5.22,,
+"OBIGT",2019,"tetracosane","cr","cal",-2.02,,
+"OBIGT",2020,"pentacosane","cr","cal",-2.93,,
+"OBIGT",2021,"hexacosane","cr","cal",-1.29,,
+"OBIGT",2022,"heptacosane","cr","cal",-1.23,,
+"OBIGT",2074,"carbazole","cr","cal",-43.39,,
+"OBIGT",2115,"triphenylene","cr","cal",,,541
+"OBIGT",2428,"deoxyadenosine","cr","cal",,,-2977
+"OBIGT",2586,"ethylene","gas","cal",-4.59,,
+"OBIGT",2596,"3,5-dimethylphenol","gas","cal",,,628
+"OBIGT",2906,"nonacontane","liq","cal",,,635
+"OBIGT",2913,"2-methyloctane","liq","cal",10,,
+"OBIGT",3326,"5,6-dithiadecane","liq","cal",2,,
"DEW",8,"AlO2(SiO2)-","aq","cal",,,-897
"DEW",17,"BO(OH)","aq","cal",,,-1111
"DEW",19,"Ca(HCO3)+","aq","cal",,,-2971
Modified: pkg/CHNOSZ/inst/extdata/thermo/stoich.csv.xz
===================================================================
(Binary files differ)
Modified: pkg/CHNOSZ/vignettes/OBIGT.bib
===================================================================
--- pkg/CHNOSZ/vignettes/OBIGT.bib 2020-08-26 03:02:04 UTC (rev 604)
+++ pkg/CHNOSZ/vignettes/OBIGT.bib 2020-09-10 01:48:18 UTC (rev 605)
@@ -1494,6 +1494,16 @@
doi = {10.1016/0021-9614(74)90141-4},
}
+ at Article{LX20,
+ author = {Xiangchong Liu and Changhao Xiao},
+ journal = {Ore Geology Reviews},
+ title = {{W}olframite solubility and precipitation in hydrothermal fluids: insight from thermodynamic modeling},
+ year = {2020},
+ pages = {103289},
+ volume = {117},
+ doi = {10.1016/j.oregeorev.2019.103289},
+}
+
@TechReport{electron,
author = {OBIGT},
institution = {OBIGT database in CHNOSZ},
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