Through example 10.

21 also updated. git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7118 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2025-12-15 16:18:22 +01:00 · 2012-11-27 22:16:29 +00:00 · 2012-11-27 22:16:29 +00:00 · 2f81f71ce0
commit 2f81f71ce0
parent a062c70704
11 changed files with 37 additions and 34 deletions
--- a/5
+++ b/5
@ -57,7 +57,8 @@ SELECTED_OUTPUT
        -reset false
        -reaction true
 USER_PUNCH
-head   lg_SigmaPi X_Arag X_Stront X_Ca_aq X_Sr_aq mol_Misc1 mol_Misc2 mol_Arag mol_Stront
+-head   lg_SigmaPi X_Arag X_Stront X_Ca_aq X_Sr_aq mol_Misc1 mol_Misc2 \
+     mol_Arag mol_Stront
 -start
  10 sum = (S_S("Strontianite") + S_S("Aragonite"))
  20 if sum = 0 THEN GOTO 60
@ -90,7 +91,7 @@ USER_PUNCH
 USER_GRAPH Example 10
        -headings x_Aragonite  x_Srontianite
        -chart_title "Aragonite-Strontianite Solid Solution"
-        -axis_titles "Log(SrCO3 ADDED, IN MOLES)" "Log(MOLE FRACTION OF COMPONENT)"
+        -axis_titles "Log(SrCO3 added, in moles)" "Log(Mole fraction of component)"
        -axis_scale x_axis -5 1 1 1
        -axis_scale y_axis -5 0.1 1 1
        -connect_simulations true
--- a/2
+++ b/2
@ -1,4 +1,4 @@
-TITLE Example 11.--Transport and ion exchange.
+TITLE Example 11.--Transport and cation exchange.
 SOLUTION 0  CaCl2
        units            mmol/kgw
        temp             25.0
--- a/2
+++ b/2
@ -17,7 +17,7 @@ USER_GRAPH 1 Example 2
        -chart_title "Gypsum-Anhydrite Stability"
        -axis_scale x_axis 25 75 5 0
        -axis_scale y_axis auto 0.05 0.1
-        -axis_titles "TEMPERATURE, IN DEGREES CELSIUS" "SATURATION INDEX"
+        -axis_titles "Temperature, in degrees celsius" "Saturation index"
        -initial_solutions false
  -start
  10 graph_x TC
--- a/2
+++ b/2
@ -1,4 +1,4 @@
-TITLE Diffusion through Opalinus Clay in a radial diffusion cell, Appelo, Van Loon and Wersin, 2010, GCA 74, 1201
+TITLE Diffusion through Opalinus Clay in a radial diffusion cell, Appelo and others, 2010, GCA 74, 1201
 SOLUTION_MASTER_SPECIES
 # element   species   alk gfw_formula element_gfw
  Hto       Hto       0.0   20        20
--- a/7
+++ b/7
@ -8,12 +8,13 @@ REACTION_TEMPERATURE
 30 90 in 10
 USER_GRAPH 1 Example 2B, (P, T)-dependent solubilities of Gypsum and Anhydrite
 -plot_tsv_file ex2b.tsv
- -axis_titles "TEMPERATURE, IN DEGREES CELSIUS" "SOLUBILITY, IN MOLES PER KG WATER"
+ -axis_titles "Temperature, in degrees celsius" "Solubility, in moles per \
+kilogram water"
 -axis_scale x_axis 30 170
 -axis_scale y_axis 1e-3 0.05 auto auto log
 10 plot_xy tc, tot("Ca"), color = Red, symbol = None
 -end
-END
+END # 1st simulation

 USE solution 1 
 USE equilibrium_phases 1
@ -31,7 +32,7 @@ REACTION_PRESSURE 3
 987
 USER_GRAPH
 20 plot_xy tc, tot("Ca"), color = Red, symbol = None
-END
+END # 2nd simulation

 USE solution 1 
 EQUILIBRIUM_PHASES 4
--- a/2
+++ b/2
@ -1,4 +1,4 @@
-TITLE Example 4a.--Rain water evaporation
+TITLE Example 4a.--Rainwater evaporation
 SOLUTION 1  Precipitation from Central Oklahoma
        units           mg/L
        pH              4.5   # estimated
--- a/3
+++ b/3
@ -20,7 +20,8 @@ SELECTED_OUTPUT
 USER_GRAPH Example 5
        -headings Pyrite Goethite Calcite CO2(g) Gypsum SI_Gypsum
        -chart_title "Pyrite Oxidation"
-        -axis_titles "O2 ADDED, IN MILLIMOLES" "MILLIMOLES DISSOLVED" "SATURATION INDEX"
+        -axis_titles "O2 added, in millimoles" "Millimoles dissolved" \
+             "Saturation index"
  10 x = RXN * 1e3
  20 PLOT_XY x, 1e3 * (10 - EQUI("Pyrite")), symbol = Plus
  30 PLOT_XY x, 1e3 * (10 - EQUI("Goethite")), symbol = Plus
--- a/26
+++ b/26
@ -1,4 +1,4 @@
-TITLE Example 6A.--React to phase boundaries.
+TITLE Simulation 6A.--React to phase boundaries.
 SOLUTION 1  PURE WATER
            pH    7.0 charge
          temp   25.0
@ -25,7 +25,7 @@ SELECTED_OUTPUT
        -si             Gibbsite Kaolinite K-mica K-feldspar
        -equilibrium    Gibbsite Kaolinite K-mica K-feldspar
 END
-TITLE Example 6A1.--Find amount of K-feldspar dissolved to
+TITLE Simulation 6A1.--Find amount of K-feldspar dissolved to
                    reach gibbsite saturation.
 USE solution 1
 EQUILIBRIUM_PHASES 1
@ -33,7 +33,7 @@ EQUILIBRIUM_PHASES 1
        Kaolinite       0.0     0.0
        K-mica          0.0     0.0
        K-feldspar      0.0     0.0
-USER_GRAPH 1 Example 6
+USER_GRAPH 1 Simulation 6
        -headings 6A--Intersections
        -chart_title "K-Feldspar Reaction Path"
        -axis_titles "Log[H4SiO4]" "Log([K+] / [H+])"
@ -42,7 +42,7 @@ USER_GRAPH 1 Example 6
  10 PLOT_XY LA("H4SiO4"),(LA("K+")-LA("H+")), color = Red, line_w = 0, \
  	symbol = Circle, symbol_size = 10
 END
-TITLE Example 6A2.--Find amount of K-feldspar dissolved to
+TITLE Simulation 6A2.--Find amount of K-feldspar dissolved to
                    reach kaolinite saturation.
 USE solution 1
 EQUILIBRIUM_PHASES 1
@ -51,7 +51,7 @@ EQUILIBRIUM_PHASES 1
        K-mica          0.0     0.0
        K-feldspar      0.0     0.0
 END
-TITLE Example 6A3.--Find amount of K-feldspar dissolved to
+TITLE Simulation 6A3.--Find amount of K-feldspar dissolved to
                    reach K-mica saturation.
 USE solution 1
 EQUILIBRIUM_PHASES 1
@ -60,7 +60,7 @@ EQUILIBRIUM_PHASES 1
        K-mica          0.0     KAlSi3O8        10.0
        K-feldspar      0.0     0.0
 END
-TITLE Example 6A4.--Find amount of K-feldspar dissolved to
+TITLE Simulation 6A4.--Find amount of K-feldspar dissolved to
                    reach K-feldspar saturation.
 USE solution 1
 EQUILIBRIUM_PHASES 1
@ -69,21 +69,21 @@ EQUILIBRIUM_PHASES 1
        K-mica          0.0     0.0
        K-feldspar      0.0     KAlSi3O8        10.0
 END
-TITLE Example 6A5.--Find point with kaolinite present,
+TITLE Simulation 6A5.--Find point with kaolinite present,
                    but no gibbsite.
 USE solution 1
 EQUILIBRIUM_PHASES 1
        Gibbsite        0.0     KAlSi3O8        10.0
        Kaolinite       0.0     1.0
 END
-TITLE Example 6A6.--Find point with K-mica present,
+TITLE Simulation 6A6.--Find point with K-mica present,
                    but no kaolinite
 USE solution 1
 EQUILIBRIUM_PHASES 1
        Kaolinite       0.0     KAlSi3O8        10.0
        K-mica          0.0     1.0
 END
-TITLE Example 6B.--Path between phase boundaries.
+TITLE Simulation 6B.--Path between phase boundaries.
 USE solution 1
 EQUILIBRIUM_PHASES 1
        Kaolinite       0.0     0.0
@ -99,7 +99,7 @@ USER_GRAPH
  10 PLOT_XY LA("H4SiO4"),(LA("K+")-LA("H+")), color = Blue, line_w = 0, \
  		symbol = XCross, symbol_size = 7
 END
-TITLE Example 6C.--kinetic calculation
+TITLE Simulation 6C.--kinetic calculation
 SOLUTION 1
        -units mol/kgw
        Al         1.e-13
@ -168,11 +168,11 @@ USER_PRINT
          "E: Kaolinite -> K-mica    ", "F: K-mica    -> K-feldspar"
  20 PRINT \
  "        Transition                 Time   K-feldspar      LA(K/H)   LA(H4SiO4)"
-  30 PRINT "                                             reacted"
-  40 PRINT "                                             (moles)"
+  30 PRINT "                                            transfer"
+  40 PRINT "                                            (umoles)"
  50 FOR i = 2 TO 7
  60   READ s$
-  70   IF EXISTS(i) THEN PRINT s$, GET(i,1), GET(1) - GET(i), GET(i,2), GET(i,3)
+  70   IF EXISTS(i) THEN PRINT s$, GET(i,1), (GET(1) - GET(i))*1e6, GET(i,2), GET(i,3)
  80 NEXT i
 SELECTED_OUTPUT
        -file ex6C.sel
--- a/12
+++ b/12
@ -46,9 +46,9 @@ REACTION 1
        1. 2. 3. 4. 8. 16. 32 64. 125. 250. 500. 1000. mmol
 USER_GRAPH 1 Example 7
        -headings Fixed_Pressure: CH4 CO2 N2 H2O #Volume
-        -chart_title "Gas Composition as a Result of Organic Decomposition"
-        -axis_titles "ORGANIC MATTER REACTED, IN MILLIMOLES" \
-        	     "Log(PARTIAL PRESSURE, IN ATMOSPHERES)" "VOLUME, IN LITERS"
+        -chart_title "Gas Composition"
+        -axis_titles "Organic matter reacted, in millimoles" \
+        	     "Log(Partial pressure, in atmospheres)" "Volume, in liters"
        -axis_scale x_axis 1 1e3 auto auto log
        -axis_scale y_axis -5.0 1.0 1 1
        -connect_simulations false
@ -65,9 +65,9 @@ USER_GRAPH 1 Example 7
 USER_GRAPH 2 Example 7
        -headings  Fixed_P:...Pressure Fixed_P:...Volume
        -chart_title \
-            "Total Gas Pressure and Volume as a Result of Organic Decomposition"
-        -axis_titles "ORGANIC MATTER REACTED, IN MILLIMOLES" \
-                     "Log(PRESSURE, IN ATMOSPHERES)" "VOLUME, IN LITERS"
+            "Total Gas Pressure and Volume"
+        -axis_titles "Organic matter reacted, in millimoles" \
+                     "Log(Pressure, in atmospheres)" "Volume, in liters"
        -axis_scale x_axis 1 1e3 auto auto log
        -axis_scale y_axis -5.0 1.0 1 1
        -axis_scale y2_axis 1e-3 1e5 auto auto log
--- a/8
+++ b/8
@ -70,9 +70,9 @@ SELECTED_OUTPUT
 USER_PUNCH
 10
 USER_GRAPH 1 Example 8
-     -headings pH Zn_solute Zn_weak_sites Zn_strong_sites Charge_Balance
+     -headings pH Zn_solute Zn_weak_sites Zn_strong_sites Charge_balance
     -chart_title "Total Zn = 1e-7 molal"
-     -axis_titles pH "MOLES PER KILOGRAM WATER" "CHARGE BALANCE, IN MILLIEQUIVALENTS"
+     -axis_titles pH "Moles per kilogram water" "Charge balance, in milliequivalents"
     -axis_scale x_axis 5.0 8.0 1 0.25
     -axis_scale y_axis 1e-11 1e-6 1 1 log
     -axis_scale sy_axis -0.15 0 0.03
@ -90,8 +90,8 @@ END
 #   Zn = 1e-4
 USER_GRAPH 2 Example 8
     -chart_title "Total Zn = 1e-4 molal"
-     -headings pH Zn_solute Zn_weak_sites Zn_strong_sites Charge_Balance
-     -axis_titles pH "MOLES PER KILOGRAM WATER" "CHARGE BALANCE, IN MILLIEQUIVALENTS"
+     -headings pH Zn_solute Zn_weak_sites Zn_strong_sites Charge_balance
+     -axis_titles pH "Moles per kilogram water" "Charge balance, in milliequivalents"
     -axis_scale x_axis 5.0 8.0 1 0.25
     -axis_scale y_axis 1e-8 1e-3 1 1 log
     -axis_scale sy_axis -0.15 0 0.03
--- a/2
+++ b/2
@ -129,7 +129,7 @@ USER_PUNCH
 USER_GRAPH Example 9
        -headings _time_ Fe(2) Fe(3) pH
        -chart_title "Oxidation of Ferrous Iron"
-        -axis_titles "TIME, IN DAYS" "MICROMOLE PER KILOGRAM WATER" "pH"
+        -axis_titles "Time, in days" "Micromole per kilogram water" "pH"
        -axis_scale secondary_y_axis 4.0 7.0 1.0 0.5
  -start
  10 GRAPH_X TOTAL_TIME / 3600 / 24