[CHNOSZ-commits] r354 - in pkg/CHNOSZ: . data inst inst/extdata/OBIGT vignettes

noreply at r-forge.r-project.org noreply at r-forge.r-project.org
Tue Jan 15 05:03:20 CET 2019 

Author: jedick
Date: 2019-01-15 05:03:19 +0100 (Tue, 15 Jan 2019)
New Revision: 354

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/data/refs.csv
   pkg/CHNOSZ/inst/NEWS
   pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv.xz
   pkg/CHNOSZ/vignettes/obigt.bib
Log:
update GHS for celestite


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2019-01-08 04:44:05 UTC (rev 353)
+++ pkg/CHNOSZ/DESCRIPTION	2019-01-15 04:03:19 UTC (rev 354)
@@ -1,6 +1,6 @@
-Date: 2019-01-08
+Date: 2019-01-15
 Package: CHNOSZ
-Version: 1.1.3-61
+Version: 1.1.3-62
 Title: Thermodynamic Calculations and Diagrams for Geo(bio)chemistry
 Authors at R: c(
     person("Jeffrey", "Dick", , "j3ffdick at gmail.com", role = c("aut", "cre"),

Modified: pkg/CHNOSZ/data/refs.csv
===================================================================
--- pkg/CHNOSZ/data/refs.csv	2019-01-08 04:44:05 UTC (rev 353)
+++ pkg/CHNOSZ/data/refs.csv	2019-01-15 04:03:19 UTC (rev 354)
@@ -8,6 +8,7 @@
 FSR76,"M. J. Ferrante et al.",1976,"U. S. Bureau of Mines Report of Investigations 8129","dawsonite Cp (value at 25 °C as listed by @BPAH07; not present in spronsbl.dat)",http://www.worldcat.org/oclc/932914138
 HDNB78,"H. C. Helgeson, J. M. Delany et al.",1978,"Am. J. Sci. 278A, 1-229","data for minerals and phase transitions",http://www.worldcat.org/oclc/13594862
 HDNB78.1,"H. C. Helgeson, J. M. Delany et al.",1978,"Am. J. Sci. 278A, 1-229","litharge S, V, and Cp parameters",http://www.worldcat.org/oclc/13594862
+HDNB78.2,"H. C. Helgeson, J. M. Delany et al.",1978,"Am. J. Sci. 278A, 1-229","celestite V and Cp parameters",http://www.worldcat.org/oclc/13594862
 RHF78,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1978,"U. S. Geological Survey Bull. 1452","chlorargyrite",http://pubs.er.usgs.gov/publication/b1452
 RHF78.1,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1978,"U. S. Geological Survey Bull. 1452","dickite, fluorphlogopite, halloysite, and pyrope",http://pubs.er.usgs.gov/publication/b1452
 RHF78.2,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1978,"U. S. Geological Survey Bull. 1452",iron,http://pubs.er.usgs.gov/publication/b1452
@@ -20,6 +21,7 @@
 BH83,"T. S. Bowers and H. C. Helgeson",1983,"Geochim. Cosmochim. Acta 47, 1247-1275",rutile,https://doi.org/10.1016/0016-7037(83)90066-2
 Hel85,"H. C. Helgeson",1985,"Am. J. Sci. 285, 845-855","ferrosilite and siderite",https://doi.org/10.2475/ajs.285.9.845
 JH85,"K. J. Jackson and H. C. Helgeson",1985,"Econ. Geol. 80, 1365-1378","Sn minerals",https://doi.org/10.2113/gsecongeo.80.5.1365
+RA87,"E. J. Reardon and D. K. Armstrong",1987,"Geochim. Cosmochim. Acta 51, 63-72","celestite GHS",https://doi.org/10.1016/0016-7037(87)90007-X
 Ber88,"R. G. Berman",1988,"J. Petrol. 29, 445-522",minerals,https://doi.org/10.1093/petrology/29.2.445
 SH88,"E. L. Shock and H. C. Helgeson",1988,"Geochim. Cosmochim. Acta 52, 2009-2036","ionic species",https://doi.org/10.1016/0016-7037(88)90181-0
 SHS89,"E. L. Shock, H. C. Helgeson and D. A. Sverjensky",1989,"Geochim. Cosmochim. Acta 53, 2157-2183","inorganic neutral species",https://doi.org/10.1016/0016-7037(89)90341-4

Modified: pkg/CHNOSZ/inst/NEWS
===================================================================
--- pkg/CHNOSZ/inst/NEWS	2019-01-08 04:44:05 UTC (rev 353)
+++ pkg/CHNOSZ/inst/NEWS	2019-01-15 04:03:19 UTC (rev 354)
@@ -1,4 +1,4 @@
-CHANGES IN CHNOSZ 1.1.3-61 (2019-01-08)
+CHANGES IN CHNOSZ 1.1.3-62 (2019-01-15)
 ---------------------------------------
 
 NEW FEATURES
@@ -92,6 +92,9 @@
   H-succinate and succinate-2 for the -1 and -2 charged ions. Remove
   duplicated entries for H-succinate and succinate-2 from biotic_aq.csv.
 
+- Update G, H, and S of celestite using properties of the dissolution
+  reaction given by Reardon and Armstrong, 1987.
+
 DIAGRAMS
 
 - Lines in 1-D diagram()s can optionally be drawn as splines using the

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv.xz
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv.xz	2019-01-08 04:44:05 UTC (rev 353)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv.xz	2019-01-15 04:03:19 UTC (rev 354)
@@ -1,34 +1,36 @@
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Modified: pkg/CHNOSZ/vignettes/obigt.bib
===================================================================
--- pkg/CHNOSZ/vignettes/obigt.bib	2019-01-08 04:44:05 UTC (rev 353)
+++ pkg/CHNOSZ/vignettes/obigt.bib	2019-01-15 04:03:19 UTC (rev 354)
@@ -120,14 +120,14 @@
 }
 
 @Article{DLH06,
-  author        = {Dick, Jeffrey M. and LaRowe, Douglas E. and Helgeson, Harold C.},
-  journal       = {Biogeosciences},
-  title         = {{T}emperature, pressure, and electrochemical constraints on protein speciation: {G}roup additivity calculation of the standard molal thermodynamic properties of ionized unfolded proteins},
-  year          = {2006},
-  volume        = {3},
-  number        = {3},
-  pages         = {311--336},
-  doi           = {10.5194/bg-3-311-2006},
+  author    = {Dick, Jeffrey M. and LaRowe, Douglas E. and Helgeson, Harold C.},
+  journal   = {Biogeosciences},
+  title     = {{T}emperature, pressure, and electrochemical constraints on protein speciation: {G}roup additivity calculation of the standard molal thermodynamic properties of ionized unfolded proteins},
+  year      = {2006},
+  volume    = {3},
+  number    = {3},
+  pages     = {311--336},
+  doi       = {10.5194/bg-3-311-2006},
 }
 
 @Book{HGK84,
@@ -477,16 +477,16 @@
 }
 
 @Article{RG11,
-  author        = {Richard, Laurent and Gaona, Xavier},
-  journal       = {Geochimica et Cosmochimica Acta},
-  title         = {{T}hermodynamic properties of organic iodine compounds},
-  year          = {2011},
-  volume        = {75},
-  number        = {22},
-  pages         = {7304--7350},
-  doi           = {10.1016/j.gca.2011.07.030},
-  sn            = {0016-7037},
-  z9            = {0},
+  author    = {Richard, Laurent and Gaona, Xavier},
+  journal   = {Geochimica et Cosmochimica Acta},
+  title     = {{T}hermodynamic properties of organic iodine compounds},
+  year      = {2011},
+  volume    = {75},
+  number    = {22},
+  pages     = {7304--7350},
+  doi       = {10.1016/j.gca.2011.07.030},
+  sn        = {0016-7037},
+  z9        = {0},
 }
 
 @Article{RH98,
@@ -506,6 +506,7 @@
   title     = {{T}hermodynamic {P}roperties of {M}inerals and {R}elated {S}ubstances at 298.15 {K} and 1 {B}ar ($10^5$ {P}ascals) {P}ressure and at {H}igher {T}emperatures},
   year      = {1995},
   series    = {Bulletin 2131},
+  address   = {Washington, D. C.},
   pages     = {461},
   url       = {https://pubs.er.usgs.gov/publication/b2131},
 }
@@ -599,15 +600,15 @@
 }
 
 @Article{Sho95,
-  author        = {Shock, Everett L.},
-  journal       = {American Journal of Science},
-  title         = {{O}rganic acids in hydrothermal solutions: {S}tandard molal thermodynamic properties of carboxylic acids and estimates of dissociation constants at high temperatures and pressures},
-  year          = {1995},
-  volume        = {295},
-  number        = {5},
-  pages         = {496--580},
-  doi           = {10.2475/ajs.295.5.496},
-  size          = {85 p.},
+  author     = {Shock, Everett L.},
+  journal    = {American Journal of Science},
+  title      = {{O}rganic acids in hydrothermal solutions: {S}tandard molal thermodynamic properties of carboxylic acids and estimates of dissociation constants at high temperatures and pressures},
+  year       = {1995},
+  volume     = {295},
+  number     = {5},
+  pages      = {496--580},
+  doi        = {10.2475/ajs.295.5.496},
+  size       = {85 p.},
 }
 
 @Article{Sho09,
@@ -1129,6 +1130,7 @@
   editor    = {Welch, Alan H. and Stollenwerk, Kenneth G.},
   pages     = {1--25},
   address   = {New York},
+  doi       = {10.1007/0-306-47956-7_1},
 }
 
 @TechReport{BN91,
@@ -1143,15 +1145,15 @@
 }
 
 @Article{LMR06,
-  author        = {Langmuir, Donald and Mahoney, John and Rowson, John},
-  journal       = {Geochimica et Cosmochimica Acta},
-  title         = {{S}olubility products of amorphous ferric arsenate and crystalline scorodite ({F}e{A}s{O}<sub>4</sub>·2{H}<sub>2</sub>{O}) and their application to arsenic behavior in buried mine tailings},
-  year          = {2006},
-  volume        = {70},
-  number        = {12},
-  pages         = {2942--2956},
-  doi           = {10.1016/j.gca.2006.03.006},
-  issn          = {0016-7037},
+  author    = {Langmuir, Donald and Mahoney, John and Rowson, John},
+  journal   = {Geochimica et Cosmochimica Acta},
+  title     = {{S}olubility products of amorphous ferric arsenate and crystalline scorodite ({F}e{A}s{O}$_4$·2{H}$_2${O}) and their application to arsenic behavior in buried mine tailings},
+  year      = {2006},
+  volume    = {70},
+  number    = {12},
+  pages     = {2942--2956},
+  doi       = {10.1016/j.gca.2006.03.006},
+  issn      = {0016-7037},
 }
 
 @Article{ZZX+05,
@@ -1225,3 +1227,15 @@
   url       = {http://www.ingentaconnect.com/content/10.1127/0935-1221/2010/0022-2021},
 }
 
+ at Article{RA87,
+  author        = {Reardon, E. J. and Armstrong, D. K.},
+  journal       = {Geochimica et Cosmochimica Acta},
+  title         = {{C}elestite ({S}r{SO}$_{4(s)}$) solubility in water, seawater and {N}a{C}l solution},
+  year          = {1987},
+  volume        = {51},
+  number        = {1},
+  pages         = {63--72},
+  doi           = {10.1016/0016-7037(87)90007-X},
+  issn          = {0016-7037},
+}
+

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