From 2f81f71ce0785db3fb056b74544b7f8c2288081c Mon Sep 17 00:00:00 2001 From: David L Parkhurst Date: Tue, 27 Nov 2012 22:16:29 +0000 Subject: [PATCH] Through example 10. 21 also updated. git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7118 1feff8c3-07ed-0310-ac33-dd36852eb9cd --- ex10 | 5 +++-- ex11 | 2 +- ex2 | 2 +- ex21 | 2 +- ex2b | 7 ++++--- ex4 | 2 +- ex5 | 3 ++- ex6 | 26 +++++++++++++------------- ex7 | 12 ++++++------ ex8 | 8 ++++---- ex9 | 2 +- 11 files changed, 37 insertions(+), 34 deletions(-) diff --git a/ex10 b/ex10 index de337b96..e75079c2 100644 --- a/ex10 +++ b/ex10 @@ -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 diff --git a/ex11 b/ex11 index fb900760..8072a0be 100644 --- a/ex11 +++ b/ex11 @@ -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 diff --git a/ex2 b/ex2 index 9c8e7585..b4d44925 100644 --- a/ex2 +++ b/ex2 @@ -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 diff --git a/ex21 b/ex21 index d245e4db..c55817b4 100644 --- a/ex21 +++ b/ex21 @@ -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 diff --git a/ex2b b/ex2b index 7fa5a4d3..53a318bc 100644 --- a/ex2b +++ b/ex2b @@ -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 diff --git a/ex4 b/ex4 index 5cb78369..d7b0b889 100644 --- a/ex4 +++ b/ex4 @@ -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 diff --git a/ex5 b/ex5 index ff3df1ef..0cde7915 100644 --- a/ex5 +++ b/ex5 @@ -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 diff --git a/ex6 b/ex6 index 9ffb08d9..9375a465 100644 --- a/ex6 +++ b/ex6 @@ -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 diff --git a/ex7 b/ex7 index edfd9bfb..0b31a1d0 100644 --- a/ex7 +++ b/ex7 @@ -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 diff --git a/ex8 b/ex8 index 5d04573d..a37630d0 100644 --- a/ex8 +++ b/ex8 @@ -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 diff --git a/ex9 b/ex9 index 5474486f..831344c2 100644 --- a/ex9 +++ b/ex9 @@ -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