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OBIGT: Add uranyl complexes from Migdisov et al. (2024)
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git-svn-id: svn://scm.r-forge.r-project.org/svnroot/chnosz/pkg/CHNOSZ@838 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
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jedick committed May 15, 2024
1 parent bf62199 commit f657117
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4 changes: 2 additions & 2 deletions DESCRIPTION
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@@ -1,6 +1,6 @@
Date: 2024-04-17
Date: 2024-05-15
Package: CHNOSZ
Version: 2.1.0-10
Version: 2.1.0-11
Title: Thermodynamic Calculations and Diagrams for Geochemistry
Authors@R: c(
person("Jeffrey", "Dick", , "[email protected]", role = c("aut", "cre"),
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2 changes: 1 addition & 1 deletion R/util.data.R
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Expand Up @@ -297,7 +297,7 @@ check.OBIGT <- function() {
DG[!isHKF] <- DG.cgl
}
# Put it all together
out <- data.frame(table = what, ispecies = 1:ntot, name = tdata$name, state = tdata$state, E_units = tdata$E_units, DCp = DCp, DV = DV, DG = DG)
out <- data.frame(table = what, name = tdata$name, state = tdata$state, E_units = tdata$E_units, DCp = DCp, DV = DV, DG = DG)
return(out)
}
# Check default database (OBIGT)
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8 changes: 7 additions & 1 deletion inst/NEWS.Rd
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Expand Up @@ -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 2.1.0-10 (2024-04-17)}{
\section{Changes in CHNOSZ version 2.1.0-11 (2024-05-15)}{

\itemize{

Expand All @@ -30,6 +30,12 @@

\item \code{check.EOS()} now uses values of Born coefficients \emph{X} and \emph{Q} that are consistent with either SUPCRT92 or DEW, depending on the \code{model} defined in OBIGT (HKF or DEW, respectively).

\item Add aqueous uranyl complexes from \href{https://doi.org/10.1016/j.gca.2024.04.023}{Migdisov et al. (2024)} and related U-bearing minerals from \href{https://doi.org/10.1787/bf86a907-en}{Grenthe et al. (2020)}.

\item Except for HUO\s{4}\S{-}, aqueous uranium species from \href{https://doi.org/10.1016/S0016-7037(97)00240-8}{Shock et al. (1997)} have been moved to \file{SLOP98.csv}.

\item Remove \code{ispecies} from output of \code{check.OBIGT()} to avoid superfluous diffs.

}

}
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23 changes: 19 additions & 4 deletions inst/extdata/OBIGT/SLOP98.csv
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Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,9 @@ Pd+2,Pd+2,Pd+2,aq,SS98a.3,NA,1992-04-09,HKF,cal,42200,42540,-21.1,-5.7,-19.4,-0.
Pt+2,Pt+2,Pt+2,aq,SS98a.3,NA,1992-04-09,HKF,cal,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,NA,1992-04-14,HKF,cal,-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,NA,1992-04-14,HKF,cal,-11500,-24320,-9.5,-4.7,-16.3,-0.4755,-8.9398,9.256,-2.4093,3.1356,-3.9919,-0.03,0
PdOH+,Pd(OH)+,Pd(OH)+,aq,SS98a.3,NA,1995-07-13,HKF,cal,-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)2-2,Pd(SO4)2-2,Pd(SO4)2-2,aq,SS98a.3,NA,1995-04-14,HKF,cal,-319640,-388900,19.2,-34.4,27.4,6.502,8.0916,2.5759,-3.1134,12.9271,-10.0418,2.9221,-2
Pd(SO4)3-4,Pd(SO4)3-4,Pd(SO4)3-4,aq,SS98a.3,NA,1994-07-28,HKF,cal,-499900,-603950,39.4,-48.2,50.8,10.7074,18.3646,-1.4712,-3.5381,32.1909,-12.8528,5.891,-4
PtCl+,PtCl+,PtCl+,aq,SS98a.3,NA,1995-04-14,HKF,cal,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,NA,1995-04-14,HKF,cal,-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,NA,1995-04-14,HKF,cal,-57760,-90150,-3.1,45.6,57.4,10.4995,17.8547,-1.2658,-3.517,42.0877,4.0842,1.6759,-1
Expand All @@ -20,8 +22,23 @@ Pt(SO4)2-2,Pt(SO4)2-2,Pt(SO4)2-2,aq,SS98a.3,NA,1995-04-14,HKF,cal,-300670,-37108
Pt(SO4)3-4,Pt(SO4)3-4,Pt(SO4)3-4,aq,SS98a.3,NA,1995-04-14,HKF,cal,-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,NA,1992-04-14,HKF,cal,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,NA,1992-04-14,HKF,cal,-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,NA,1995-07-13,HKF,cal,-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,NA,1994-07-28,HKF,cal,-499900,-603950,39.4,-48.2,50.8,10.7074,18.3646,-1.4712,-3.5381,32.1909,-12.8528,5.891,-4
UOH+2,U(OH)+2,U(OH)+2,aq,SSB97,NA,1994-05-18,HKF,cal,-161800,-167700,1.2,-38.6,5.1,2.8136,-0.9087,6.1004,-2.7413,-6.8963,-10.8973,1.0376,2
UO+,UO+,UO+,aq,SSB97,NA,1994-05-18,HKF,cal,-152900,-153900,17.5,-80.8,7.7,2.9158,-0.6648,6.0168,-2.7514,-38.0715,-19.3305,0.2873,1
HUO2,HUO2,HUO2,aq,SSB97,NA,1994-05-18,HKF,cal,-198000,-205100,52.9,-144.6,24.9,5.1622,4.8252,3.8489,-2.9784,-78.8543,-32.4895,-0.03,0
UO2-,NA,UO2-,aq,SSB97,NA,2007-10-11,HKF,cal,-183700,-193600,43.3,-123.7,22.5,5.1728,4.8473,3.8491,-2.9793,-57.3622,-28.2322,0.9733,-1
U(OH)+3,U(OH)+3,U(OH)+3,aq,SSB97,NA,1994-05-18,HKF,cal,-182600,-198400,-47.8,17.3,-2.8,2.1611,-2.5064,6.739,-2.6753,37.5484,0.4894,2.3058,3
UO+2,UO+2,UO+2,aq,SSB97,NA,2007-10-16,HKF,cal,-180600,-192100,-33.4,-22.7,-0.4,2.2403,-2.3083,6.6513,-2.6835,7.3127,-7.6585,1.5684,2
HUO2+,HUO2+,HUO2+,aq,SSB97,NA,1994-05-18,HKF,cal,-233200,-254800,-11.4,2,8.9,3.2291,0.1055,5.7039,-2.7833,14.0517,-2.6271,0.7287,1
UO2,UO2,UO2,aq,SSB97,NA,1994-03-28,HKF,cal,-233800,-259700,-26,19.1,5.2,2.4664,-1.7587,6.4404,-2.7062,17.084,0.8561,-0.03,0
HUO3-,HUO3-,HUO3-,aq,SSB97,NA,1994-05-18,HKF,cal,-274100,-321200,-41.3,70.2,4.8,3.1824,-0.0092,5.7491,-2.7785,68.04,11.2651,2.2503,-1
UO2OH,UO2OH,UO2OH,aq,SSB97,NA,1994-05-18,HKF,cal,-261600,-295900,-13.9,24.8,14.5,3.739,1.3467,5.2242,-2.8346,20.4246,2.0172,-0.03,0
UO3-,UO3-,UO3-,aq,SSB97,NA,1994-05-18,HKF,cal,-236600,-272600,-19.5,6.7,12.6,4.1388,2.3272,4.8294,-2.8751,27.8024,-1.6697,1.9223,-1
UO2OH+,UO2OH+,UO2OH+,aq,SSB97,NA,1994-05-18,HKF,cal,-277250,-301550,4.1,4.3,20.7,4.764,3.8529,4.2318,-2.9382,13.224,-2.1586,0.4925,1
UO3,UO3(AQ),UO3,aq,SSB97,NA,1994-05-18,HKF,cal,-270300,-299600,-12.9,-0.8,14.8,3.7801,1.4512,5.1736,-2.8389,5.4213,-3.1975,-0.03,0
HUO4-,HUO4-,HUO4-,aq,SSB97,NA,1994-05-18,HKF,cal,-314800,-362900,-20.2,22.1,18.4,4.9364,4.2748,4.0637,-2.9556,36.9351,1.4672,1.9339,-1
UO4-2,UO4-2,UO4-2,aq,SSB97,NA,1994-05-18,HKF,cal,-296000,-346200,-27.1,-44.4,15.4,5.0964,4.6606,3.9223,-2.9716,13.513,-12.0788,3.6219,-2
HNbO3,HNbO3,HNbO3,aq,SSWS97,NA,1995-03-15,HKF,cal,-236800,-257950,31.1,31.4,30,5.711,6.1642,3.3252,-3.0337,20.2299,3.3616,-0.471,0
NbO3-,NbO3-,NbO3-,aq,SSWS97,NA,1997-11-13,HKF,cal,-227100,-255300,3.2,-41.1,20.4,5.0915,4.6485,3.9273,-2.9711,-3.3376,-11.4066,1.5829,-1
HCl,HCl,HCl,aq,MS97.2,SLOP98.11,1996-07-30,HKF,cal,-30410,-42054,3.2,NA,NA,1.2547,-4.7177,7.6043,-2.584,16.7134,2.8727,-0.7,0
ZnCl+,ZnCl+,ZnCl+,aq,SSH97.3,NA,1997-09-16,HKF,cal,-66850,-66240,23,19.9,-1.28,1.6583,-3.7293,7.2088,-2.6248,19.6947,1.0191,0.2025,1
ZnCl2,ZnCl2,ZnCl2,aq,SSH97.3,NA,1997-09-16,HKF,cal,-98300,-109080,27.03,34.7,24.82,5.1486,4.7929,3.8592,-2.9771,26.1528,4.0338,-0.038,0
Expand Down Expand Up @@ -169,5 +186,3 @@ PdCl2,PdCl2,PdCl2,aq,SS98a.3,NA,2015-08-16,HKF,cal,-34080,-51390,4.2,37.8,32.4,6
PdCl3-,PdCl3-,PdCl3-,aq,SS98a.3,NA,2015-08-16,HKF,cal,-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,NA,2015-08-16,HKF,cal,-102130,-149470,-11.7,41.4,96.8,16.1552,31.6662,-6.698,-4.088,61.6845,5.4024,3.3914,-2
CoCl+,CoCl+,CoCl+,aq,SSH97,NA,2007-10-16,HKF,cal,-45157,-53965,-11.27,17.02,-1.5,1.8028,-3.3766,7.0702,-2.6394,22.7656,0.4323,0.7191,1
HNbO3,HNbO3,HNbO3,aq,SSWS97,NA,1995-03-15,HKF,cal,-236800,-257950,31.1,31.4,30,5.711,6.1642,3.3252,-3.0337,20.2299,3.3616,-0.471,0
NbO3-,NbO3-,NbO3-,aq,SSWS97,NA,1997-11-13,HKF,cal,-227100,-255300,3.2,-41.1,20.4,5.0915,4.6485,3.9273,-2.9711,-3.3376,-11.4066,1.5829,-1
25 changes: 10 additions & 15 deletions inst/extdata/OBIGT/inorganic_aq.csv
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Expand Up @@ -321,21 +321,6 @@ LuCO3+,NA,LuCO3+,aq,HSS95,SLOP98.10,1998-06-02,HKF,cal,-296900,-335420,-57.7,-58
LuSO4+,NA,LuSO4+,aq,HSS95,NA,2007-10-11,HKF,cal,-342200,-380630,-26.6,-53.7,-6.2,1.2811,-4.6503,7.5708,-2.5867,-16.5465,-13.9936,0.957,1
MgSO4,MgSO4,MgSO4,aq,MS97,SLOP98.11,1994-11-28,HKF,cal,-289477,-327367,-13.5,NA,NA,1.9369,-3.0547,6.9554,-2.6526,-6.839,-7.4589,-0.03,0
NaSO4-,NaSO4-,NaSO4-,aq,MS97,SLOP98.11,1994-11-28,HKF,cal,-241476,-273733,25.46,NA,NA,6.4638,8.0045,2.597,-3.1098,14.4928,-4.1182,1.2422,-1
UOH+2,U(OH)+2,U(OH)+2,aq,SSB97,NA,1994-05-18,HKF,cal,-161800,-167700,1.2,-38.6,5.1,2.8136,-0.9087,6.1004,-2.7413,-6.8963,-10.8973,1.0376,2
UO+,UO+,UO+,aq,SSB97,NA,1994-05-18,HKF,cal,-152900,-153900,17.5,-80.8,7.7,2.9158,-0.6648,6.0168,-2.7514,-38.0715,-19.3305,0.2873,1
HUO2,HUO2,HUO2,aq,SSB97,NA,1994-05-18,HKF,cal,-198000,-205100,52.9,-144.6,24.9,5.1622,4.8252,3.8489,-2.9784,-78.8543,-32.4895,-0.03,0
UO2-,NA,UO2-,aq,SSB97,NA,2007-10-11,HKF,cal,-183700,-193600,43.3,-123.7,22.5,5.1728,4.8473,3.8491,-2.9793,-57.3622,-28.2322,0.9733,-1
U(OH)+3,U(OH)+3,U(OH)+3,aq,SSB97,NA,1994-05-18,HKF,cal,-182600,-198400,-47.8,17.3,-2.8,2.1611,-2.5064,6.739,-2.6753,37.5484,0.4894,2.3058,3
UO+2,UO+2,UO+2,aq,SSB97,NA,2007-10-16,HKF,cal,-180600,-192100,-33.4,-22.7,-0.4,2.2403,-2.3083,6.6513,-2.6835,7.3127,-7.6585,1.5684,2
HUO2+,HUO2+,HUO2+,aq,SSB97,NA,1994-05-18,HKF,cal,-233200,-254800,-11.4,2,8.9,3.2291,0.1055,5.7039,-2.7833,14.0517,-2.6271,0.7287,1
UO2,UO2,UO2,aq,SSB97,NA,1994-03-28,HKF,cal,-233800,-259700,-26,19.1,5.2,2.4664,-1.7587,6.4404,-2.7062,17.084,0.8561,-0.03,0
HUO3-,HUO3-,HUO3-,aq,SSB97,NA,1994-05-18,HKF,cal,-274100,-321200,-41.3,70.2,4.8,3.1824,-0.0092,5.7491,-2.7785,68.04,11.2651,2.2503,-1
UO2OH,UO2OH,UO2OH,aq,SSB97,NA,1994-05-18,HKF,cal,-261600,-295900,-13.9,24.8,14.5,3.739,1.3467,5.2242,-2.8346,20.4246,2.0172,-0.03,0
UO3-,UO3-,UO3-,aq,SSB97,NA,1994-05-18,HKF,cal,-236600,-272600,-19.5,6.7,12.6,4.1388,2.3272,4.8294,-2.8751,27.8024,-1.6697,1.9223,-1
UO2OH+,UO2OH+,UO2OH+,aq,SSB97,NA,1994-05-18,HKF,cal,-277250,-301550,4.1,4.3,20.7,4.764,3.8529,4.2318,-2.9382,13.224,-2.1586,0.4925,1
UO3,UO3(AQ),UO3,aq,SSB97,NA,1994-05-18,HKF,cal,-270300,-299600,-12.9,-0.8,14.8,3.7801,1.4512,5.1736,-2.8389,5.4213,-3.1975,-0.03,0
HUO4-,HUO4-,HUO4-,aq,SSB97,NA,1994-05-18,HKF,cal,-314800,-362900,-20.2,22.1,18.4,4.9364,4.2748,4.0637,-2.9556,36.9351,1.4672,1.9339,-1
UO4-2,UO4-2,UO4-2,aq,SSB97,NA,1994-05-18,HKF,cal,-296000,-346200,-27.1,-44.4,15.4,5.0964,4.6606,3.9223,-2.9716,13.513,-12.0788,3.6219,-2
NaCl,NaCl,NaCl,aq,SSH97,NA,1997-09-16,HKF,cal,-92910,-96160,28,8.5,24,5.0364,4.5189,3.9669,-2.9658,10.798,-1.3031,-0.038,0
PbCl+,PbCl+,PbCl+,aq,SSH97,NA,1997-09-16,HKF,cal,-39050,-38630,28,4.9,8.53,2.9756,-0.513,5.9446,-2.7577,10.2182,-2.0364,0.1281,1
PbCl2,PbCl2,PbCl2,aq,SSH97,NA,1997-09-16,HKF,cal,-71200,-77700,47,2,35.74,6.6429,8.4416,2.4251,-3.1279,6.9886,-2.6272,-0.038,0
Expand Down Expand Up @@ -879,3 +864,13 @@ TaOF3,NA,TaOF3,aq,AKK+20,NA,2021-03-20,HKF,cal,-353531,-365642,66.51,-11.173,-11
HNbO3F-,NA,HNbO3F-,aq,AKK+20,NA,2021-03-20,HKF,cal,-297901,-318676,68.03,-104.73,75.003,12.2344,22.0907,-2.9325,-3.6922,-50.4591,-24.311,0.5913,-1
HTaO3F-,NA,HTaO3F-,aq,AKK+20,NA,2021-03-20,HKF,cal,-296835,-300079,128.05,-148.17,86.4,14.0434,25.5077,-4.6685,-3.8748,-69.9033,-33.2161,1.3079,-1
H2WO4,NA,H2WO4,aq,LXW21,NA,2021-09-27,HKF,cal,-232653,-276736.39,-10.757,125.839,-114.547,-13.9096,-41.7437,22.1569,-1.0533,79.916,22.5989,0,0
UO2OH+,UO2OH+,UO2OH+,aq,MBA+24,NA,2024-04-23,HKF,cal,-277188,-300762,6.48,77.91,20.7,4.7507,3.8183,4.2494,-2.9369,56.0019,12.8361,0.4531,1
UO3,UO3,UO3,aq,MBA+24,NEA20.1,2024-04-23,HKF,cal,-267659,-292369,2.67,-0.8,14.8,3.7774,1.4418,5.1834,-2.8386,5.3475,-3.1975,-0.038,0
HUO4-,HUO4-,HUO4-,aq,SSB97,NA,1994-05-18,HKF,cal,-314800,-362900,-20.2,22.1,18.4,4.9364,4.2748,4.0637,-2.9556,36.9351,1.4672,1.9339,-1
UO2Cl+,UO2Cl+,UO2Cl+,aq,MBA+24,NA,2024-04-23,HKF,cal,-259342,-283192,-7.92,53.65,33.12,6.5237,8.1473,2.5479,-3.1158,43.792,7.8937,0.6712,1
UO2Cl2,UO2Cl2,UO2Cl2,aq,MBA+24,NA,2024-04-23,HKF,cal,-289862,-317554,21.47,6.28,63.63,10.4596,17.7573,-1.2292,-3.5131,9.4946,-1.7562,-0.038,0
UO2SO4,UO2SO4,UO2SO4,aq,MBA+24,NA,2024-04-23,HKF,cal,-410182,-460211,-1.04,109.16,21.21,4.6545,3.5834,4.3417,-2.9271,69.7926,19.2018,-0.038,0
UO2(SO4)2-2,UO2(SO4)2-2,UO2(SO4)2-2,aq,MBA+24,NA,2024-04-23,HKF,cal,-589461,-673514,21.8,67.87,36.69,7.7597,11.165,1.3618,-3.2406,72.4911,10.7898,2.8819,-2
UO2CO3,UO2CO3,UO2CO3,aq,MBA+24,NA,2024-04-23,HKF,cal,-367270,-403994,12.78,-59.3,2.31,2.0683,-2.7313,6.8236,-2.6661,-0.8475,-28.9369,-0.038,0
UO2(CO3)2-2,UO2(CO3)2-2,UO2(CO3)2-2,aq,MBA+24,NA,2024-04-23,HKF,cal,-502825,-564657,34.72,-28.8,-1.11,2.521,-1.626,6.3892,-2.7118,-42.4375,18.8896,2.6863,-2
UO2(CO3)3-4,UO2(CO3)3-4,UO2(CO3)3-4,aq,MBA+24,NA,2024-04-23,HKF,cal,-635898,-741562,-6.14,-48.3,-4.53,3.3318,0.3538,5.6111,-2.7936,-59.7866,34.9856,6.4701,-4
3 changes: 3 additions & 0 deletions inst/extdata/OBIGT/inorganic_cr.csv
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Expand Up @@ -155,3 +155,6 @@ linnaeite,"tricobalt tetrasulfide",Co3S4,cr,PMW87,WV22,2024-02-05,CGL,J,-346347,
cattierite,"cobalt disulfide",CoS2,cr,PMW87,WV22,2024-02-05,CGL,J,-147365,-153140,74.793,68.26,25.52,65.82,0.0303,-587000,0,0,0,0,-1223
carrollite,NA,Cu0.92Co2.07S4,cr,HDR+24,NA,2024-02-05,CGL,J,-331140,-344460,176.33,158.48,63.91,197.951,-0.0298,-2687000,0,0,0,0,377
carrollite,NA,Cu0.92Co2.07S4,cr2,HDR+24,NA,2024-02-05,CGL,J,-331157,-345026,174.49,NA,63.91,234.11,-0.18038,0,0,0,0,0,650
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
3 changes: 3 additions & 0 deletions inst/extdata/OBIGT/refs.csv
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Expand Up @@ -288,3 +288,6 @@ LXW21,"X. Liu, C. Xiao and Y. Wang",2021,"Chem. Geol. 584, 120488","H<sub>2</sub
LXW21.1,"X. Liu, C. Xiao and Y. Wang",2021,"Chem. Geol. 584, 120488","scheelite Cp",https://doi.org/10.1016/j.chemgeo.2021.120488
WV22,"A. E. Williams-Jones and O. V. Vasyukova",2022,"Econ. Geol. 117, 513-528","parameters listed here",https://doi.org/10.5382/econgeo.4895
HDR+24,"B. P. von der Heyden et al.",2024,"Can. J. Mineral. Petrol. 62, 77-93","carrollite",https://doi.org/10.3749/2300028
NEA20,"Grenthe et al.",2020,"Second Update on the Chemical Thermodynamics of Uranium, Neptunium, Plutonium, Americium and Technetium","rutherfordine, beta-UO<sub>2</sub>(OH)<sub>2</sub>, and Na<sub>2</sub>U<sub>2</sub>O<sub>7</sub>",https://doi.org/10.1787/bf86a907-en
NEA20.1,"Grenthe et al.",2020,"Second Update on the Chemical Thermodynamics of Uranium, Neptunium, Plutonium, Americium and Technetium","UO<sub>3</sub>",https://doi.org/10.1787/bf86a907-en
MBA+24,"A. Migdisov, E. Bastrakov et al.",2024,"Geochim. Cosmochim. Acta 62","uranyl-carbonate, -chloride, -sulfate, and -hydroxide complexes",https://doi.org/10.1016/j.gca.2024.04.023
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