[CHNOSZ-commits] r794 - in pkg/CHNOSZ: . vignettes

[noreply at r-forge.r-project.org]

Author: jedick
Date: 2023-06-24 03:16:21 +0200 (Sat, 24 Jun 2023)
New Revision: 794

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/vignettes/FAQ.Rmd
Log:
Adjust variable names in FAQ.Rmd


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2023-06-24 00:59:45 UTC (rev 793)
+++ pkg/CHNOSZ/DESCRIPTION	2023-06-24 01:16:21 UTC (rev 794)
@@ -1,6 +1,6 @@
 Date: 2023-06-24
 Package: CHNOSZ
-Version: 2.0.0-13
+Version: 2.0.0-14
 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/vignettes/FAQ.Rmd
===================================================================
--- pkg/CHNOSZ/vignettes/FAQ.Rmd	2023-06-24 00:59:45 UTC (rev 793)
+++ pkg/CHNOSZ/vignettes/FAQ.Rmd	2023-06-24 01:16:21 UTC (rev 794)
@@ -336,13 +336,13 @@
 ```{r pyrrhotite_S, message = FALSE}
 DS1 <- subcrt("pyrrhotite_new", "cr", P = 1, T = Ttr, use.polymorphs = FALSE)$out[[1]]$S
 DS2 <- subcrt("pyrrhotite_new", "cr2", P = 1, T = Ttr)$out[[1]]$S
-DS25 <- DS1 + DStr - DS2
+DS298 <- DS1 + DStr - DS2
 ```
 
 Put the values of *S*° at 298.15 into OBIGT, then calculate the changes of all thermodynamic properties of each polymorph between 298.15 K and `Ttr`.
 ```{r pyrrhotite_D1_D2, message = FALSE, results = "hide"}
 mod.OBIGT("pyrrhotite_new", state = "cr", S = S1)
-mod.OBIGT("pyrrhotite_new", state = "cr2", S = S1 + DS25)
+mod.OBIGT("pyrrhotite_new", state = "cr2", S = S1 + DS298)
 D1 <- subcrt("pyrrhotite_new", "cr", P = 1, T = Ttr, use.polymorphs = FALSE)$out[[1]]
 D2 <- subcrt("pyrrhotite_new", "cr2", P = 1, T = Ttr)$out[[1]]
 ```
@@ -354,11 +354,11 @@
 
 Now we're ready to add up the contributions to Δ*G*° and Δ*H*° from the left, top, and right sides of the cycle.
 This gives us the differences between the polymorphs at 298.15 K, which we use to make the final changes to the database.
-```{r pyrrhotite_DG25_DH25, results = "hide", message = FALSE}
-DG25 <- D1$G + DGtr - D2$G
-DH25 <- D1$H + DHtr - D2$H
+```{r pyrrhotite_DG298_DH298, results = "hide", message = FALSE}
+DG298 <- D1$G + DGtr - D2$G
+DH298 <- D1$H + DHtr - D2$H
 mod.OBIGT("pyrrhotite_new", state = "cr", G = G1, H = H1)
-mod.OBIGT("pyrrhotite_new", state = "cr2", G = G1 + DG25, H = H1 + DH25)
+mod.OBIGT("pyrrhotite_new", state = "cr2", G = G1 + DG298, H = H1 + DH298)
 ```
 
 It's a good idea to check that the values of `G`, `H`, and `S` at 25 °C for a given polymorph are consistent with each other.