[CHNOSZ-commits] r526 - in pkg/CHNOSZ: . inst inst/extdata/OBIGT

Thu Jun 11 02:07:11 CEST 2020

Author: jedick
Date: 2020-06-11 02:07:11 +0200 (Thu, 11 Jun 2020)
New Revision: 526

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/inst/NEWS
   pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv
Log:
use uppercase "A" for interlayer spacing suffixes in mineral names


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================

--- pkg/CHNOSZ/DESCRIPTION	2020-05-28 13:37:15 UTC (rev 525)
+++ pkg/CHNOSZ/DESCRIPTION	2020-06-11 00:07:11 UTC (rev 526)
@@ -1,6 +1,6 @@
-Date: 2020-05-28
+Date: 2020-06-10
 Package: CHNOSZ
-Version: 1.3.6-3
+Version: 1.3.6-4
 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
===================================================================
--- pkg/CHNOSZ/inst/NEWS	2020-05-28 13:37:15 UTC (rev 525)
+++ pkg/CHNOSZ/inst/NEWS	2020-06-11 00:07:11 UTC (rev 526)
@@ -1,11 +1,15 @@
-CHANGES IN CHNOSZ 1.3.6-3 (2020-05-28)
+CHANGES IN CHNOSZ 1.3.6-4 (2020-06-10)
 --------------------------------------
 
-- Remove "methane" as the name of CH4(aq). Consequently, info("methane")
-  refers to the gas rather than aqueous species. This is consistent
-  with the behavior for the names of inorganic species, e.g. carbon
-  dioxide and oxygen.
+- OBIGT/organic_aq.csv, AkDi.csv, DEW_aq.csv: Remove "methane" as the
+  name of CH4(aq). Consequently, info("methane") refers to the gas
+  rather than aqueous species. This is consistent with the behavior for
+  the names of inorganic species, e.g. carbon dioxide and oxygen.
 
+- OBIGT/SUPCRT92.csv: Change lowercase to uppercase "A" (Angstrom) in
+  names of minerals with suffixes indicating interlayer spacing
+  (amesite, clinochlore, cronstedtite, daphnite).
+
 - Add demo/comproportionation.R: Gibbs energy of sulfur
   comproportionation, after Amend et al., 2020.
 

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv	2020-05-28 13:37:15 UTC (rev 525)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv	2020-06-11 00:07:11 UTC (rev 526)
@@ -11,9 +11,9 @@
 almandine,Alm,Fe3Al2Si3O12,cr,"HDNB78 [S92]",NA,5.May.78,cal,NA,NA,75.6,NA,115.28,97.52,33.64,-18.73,0,0,0,0,848
 almandine,Alm,Fe3Al2Si3O12,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,-11.741,NA,71.93,NA,115.28,107.09,14.86,-10.63,0,0,0,0,1600
 alunite,Alu,KAl3(OH)6(SO4)2,cr,"HDNB78 [S92]",NA,5.May.78,cal,-1113600,-1235600,78.4,NA,293.6,153.45,0,-54.95,0,0,0,0,650
-"amesite,14a",14A-Am,Mg4Al2(Al2Si2)O10(OH)8,cr,"HDNB78 [S92]",NA,5.May.78,cal,NA,NA,108.9,NA,205.4,172.59,34.98,-41.67,0,0,0,0,848
-"amesite,14a",14A-Am,Mg4Al2(Al2Si2)O10(OH)8,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,3.895,NA,110.1233,NA,205.4,169.4,41.24,-44.37,0,0,0,0,1000
-"amesite,7a",Ams-7A,Mg2Al(AlSi)O5(OH)4,cr,"HDNB78 [S92]",NA,5.May.78,cal,NA,NA,52,NA,103,81.03,24.738,-20.23,0,0,0,0,1000
+"amesite,14A",14A-Am,Mg4Al2(Al2Si2)O10(OH)8,cr,"HDNB78 [S92]",NA,5.May.78,cal,NA,NA,108.9,NA,205.4,172.59,34.98,-41.67,0,0,0,0,848
+"amesite,14A",14A-Am,Mg4Al2(Al2Si2)O10(OH)8,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,3.895,NA,110.1233,NA,205.4,169.4,41.24,-44.37,0,0,0,0,1000
+"amesite,7A",Ams-7A,Mg2Al(AlSi)O5(OH)4,cr,"HDNB78 [S92]",NA,5.May.78,cal,NA,NA,52,NA,103,81.03,24.738,-20.23,0,0,0,0,1000
 "amorphous silica",Amor-Sl,SiO2,cr,"HDNB78 [S92]",NA,5.May.78,cal,-202892,-214568,14.34,NA,29,5.93,47.2,-22.78,0,0,0,0,622
 analcime,Anl,NaAlSi2O6*H2O,cr,"HDNB78 [S92]",NA,5.May.78,cal,-738098,-790193,56,NA,97.1,53.49,24.14,-8.88,0,0,0,0,1000
 "analcime,dehydrated",Dhyd-Anl,NaAlSi2O6,cr,"HDNB78 [S92]",NA,5.May.78,cal,-674989,-714678,41.9,NA,89.1,42.09,24.14,-8.88,0,0,0,0,1000
@@ -38,9 +38,9 @@
 chalcedony,Cha,SiO2,cr,"HDNB78 [S92]",NA,5.May.78,cal,-204276,-217282,9.88,NA,22.688,11.22,8.2,-2.7,0,0,0,0,848
 chloritoid,Cld,FeAl2SiO5(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,cal,NA,NA,42.1,NA,69.8,60.63,17.13,-13.63,0,0,0,0,1000
 chrysotile,Ctl,Mg3Si2O5(OH)4,cr,"HDNB78 [S92]",NA,5.May.78,cal,-964871,-1043123,52.9,NA,108.5,75.82,31.6,-17.58,0,0,0,0,1000
-"clinochlore,14a",14A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr,"HDNB78 [S92]",NA,5.May.78,cal,-1961703,-2116964,111.2,NA,207.11,166.5,42.1,-37.47,0,0,0,0,900
-"clinochlore,7a",7A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr,"HDNB78 [S92]",NA,5.May.78,cal,-1957101,-2113197,106.5,NA,211.5,162.82,50.62,-40.88,0,0,0,0,848
-"clinochlore,7a",7A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,-1957104.895,NA,105.2767,NA,211.5,166.01,44.36,-38.18,0,0,0,0,900
+"clinochlore,14A",14A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr,"HDNB78 [S92]",NA,5.May.78,cal,-1961703,-2116964,111.2,NA,207.11,166.5,42.1,-37.47,0,0,0,0,900
+"clinochlore,7A",7A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr,"HDNB78 [S92]",NA,5.May.78,cal,-1957101,-2113197,106.5,NA,211.5,162.82,50.62,-40.88,0,0,0,0,848
+"clinochlore,7A",7A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,-1957104.895,NA,105.2767,NA,211.5,166.01,44.36,-38.18,0,0,0,0,900
 clinozoisite,Czo,Ca2Al3Si3O12(OH),cr,"HDNB78 [S92]",SPRONS92.2,15.Mar.90,cal,-1549240,-1643781,70.64,NA,136.2,106.118,25.214,-27.145,0,0,0,0,700
 coesite,Cos,SiO2,cr,"HDNB78 [S92]",NA,5.May.78,cal,-203541,-216614,9.65,NA,20.641,11,8.2,-2.7,0,0,0,0,848
 coesite,Cos,SiO2,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,-203544.895,NA,8.4267,NA,20.641,14.19,1.94,0,0,0,0,0,2000
@@ -51,13 +51,13 @@
 cristobalite,Crs,SiO2,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,-203677.53,-216037.379,12.0495,NA,25.74,17.39,0.31,-9.89,0,0,0,0,2000
 "cristobalite,alpha",A-Crs,SiO2,cr,"HDNB78 [S92]",NA,5.May.78,cal,-203895,-216755,10.372,NA,25.74,13.98,3.34,-3.81,0,0,0,0,1000
 "cristobalite,beta",B-Crs,SiO2,cr,"HDNB78 [S92]",NA,5.May.78,cal,-203290,-215675,11.963,NA,27.38,17.39,0.31,-9.89,0,0,0,0,2000
-"cronstedtite,7a",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr,"HDNB78 [S92]",NA,5.May.78,cal,NA,NA,73.5,NA,110.9,84.79,41.84,-12.476,0,0,0,0,950
-"cronstedtite,7a",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,-160.595,NA,69.3289,NA,110.9,97.3,23.24,-8.93,0,0,0,0,1050
-"cronstedtite,7a",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,957.096,NA,73.4065,NA,110.9,93.01,25,-8.93,0,0,0,0,1500
+"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr,"HDNB78 [S92]",NA,5.May.78,cal,NA,NA,73.5,NA,110.9,84.79,41.84,-12.476,0,0,0,0,950
+"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,-160.595,NA,69.3289,NA,110.9,97.3,23.24,-8.93,0,0,0,0,1050
+"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,957.096,NA,73.4065,NA,110.9,93.01,25,-8.93,0,0,0,0,1500
 cummingtonite,Cum,Mg7Si8O22(OH)2,cr,"HDNB78 [S92]",NA,16.Aug.15,cal,NA,NA,127.5,NA,271.9,185.24,58.61,-41.66,0,0,0,0,800
-"daphnite,14a",Dph-14A,Fe5Al(AlSi3)O10(OH)8,cr,"HDNB78 [S92]",SLOP98.2,5.May.78,cal,-1550482,-1695426,142.5,NA,213.42,176.21,43.76,-33.82,0,0,0,0,1000
-"daphnite,7a",7A-Dph,Fe5Al(AlSi3)O10(OH)8,cr,"HDNB78 [S92]",NA,5.May.78,cal,NA,NA,138.9,NA,221.2,172.53,52.28,-37.23,0,0,0,0,848
-"daphnite,7a",7A-Dph,Fe5Al(AlSi3)O10(OH)8,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,3.159,NA,137.726,NA,221.2,175.72,46.02,-34.63,0,0,0,0,1000
+"daphnite,14A",Dph-14A,Fe5Al(AlSi3)O10(OH)8,cr,"HDNB78 [S92]",SLOP98.2,5.May.78,cal,-1550482,-1695426,142.5,NA,213.42,176.21,43.76,-33.82,0,0,0,0,1000
+"daphnite,7A",7A-Dph,Fe5Al(AlSi3)O10(OH)8,cr,"HDNB78 [S92]",NA,5.May.78,cal,NA,NA,138.9,NA,221.2,172.53,52.28,-37.23,0,0,0,0,848
+"daphnite,7A",7A-Dph,Fe5Al(AlSi3)O10(OH)8,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,3.159,NA,137.726,NA,221.2,175.72,46.02,-34.63,0,0,0,0,1000
 diaspore,Dsp,AlO(OH),cr,"HDNB78 [S92]",NA,5.May.78,cal,-218402,-237170,8.43,NA,17.76,14.435,4.2,0,0,0,0,0,500
 dickite,Dck,Al2Si2O5(OH)4,cr,"HDNB78 [S92]","RHF78.1 [S92]",5.May.78,cal,NA,NA,47.1,NA,99.3,72.77,29.2,-21.52,0,0,0,0,1000
 diopside,Di,CaMg(SiO3)2,cr,"HDNB78 [S92]",SPRONS92.2,15.Mar.90,cal,-723780,-765378,34.2,NA,66.09,52.87,7.84,-15.74,0,0,0,0,1600

