Merge pull request #83 from dlparkhurst/mix_error

Mix error

HTMLversion/HTML/gas_binary_parameters_files/colorschememapping.xml

@@ -0,0 +1,2 @@
+<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
+<a:clrMap xmlns:a="http://schemas.openxmlformats.org/drawingml/2006/main" bg1="lt1" tx1="dk1" bg2="lt2" tx2="dk2" accent1="accent1" accent2="accent2" accent3="accent3" accent4="accent4" accent5="accent5" accent6="accent6" hlink="hlink" folHlink="folHlink"/>

HTMLversion/HTML/gas_binary_parameters_files/filelist.xml

@@ -0,0 +1,6 @@
+<xml xmlns:o="urn:schemas-microsoft-com:office:office">
+ <o:MainFile HRef="../gas_binary_parameters.htm"/>
+ <o:File HRef="themedata.thmx"/>
+ <o:File HRef="colorschememapping.xml"/>
+ <o:File HRef="filelist.xml"/>
+</xml>

HTMLversion/HTML/phreeqc3-16_files/colorschememapping.xml

@@ -0,0 +1,2 @@
+<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
+<a:clrMap xmlns:a="http://schemas.openxmlformats.org/drawingml/2006/main" bg1="lt1" tx1="dk1" bg2="lt2" tx2="dk2" accent1="accent1" accent2="accent2" accent3="accent3" accent4="accent4" accent5="accent5" accent6="accent6" hlink="hlink" folHlink="folHlink"/>

HTMLversion/HTML/phreeqc3-16_files/filelist.xml

@@ -0,0 +1,6 @@
+<xml xmlns:o="urn:schemas-microsoft-com:office:office">
+ <o:MainFile HRef="../phreeqc3-16.htm"/>
+ <o:File HRef="themedata.thmx"/>
+ <o:File HRef="colorschememapping.xml"/>
+ <o:File HRef="filelist.xml"/>
+</xml>

HTMLversion/HTML/phreeqc3-17_files/colorschememapping.xml

@@ -0,0 +1,2 @@
+<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
+<a:clrMap xmlns:a="http://schemas.openxmlformats.org/drawingml/2006/main" bg1="lt1" tx1="dk1" bg2="lt2" tx2="dk2" accent1="accent1" accent2="accent2" accent3="accent3" accent4="accent4" accent5="accent5" accent6="accent6" hlink="hlink" folHlink="folHlink"/>

HTMLversion/HTML/phreeqc3-17_files/filelist.xml

@@ -0,0 +1,6 @@
+<xml xmlns:o="urn:schemas-microsoft-com:office:office">
+ <o:MainFile HRef="../phreeqc3-17.htm"/>
+ <o:File HRef="themedata.thmx"/>
+ <o:File HRef="colorschememapping.xml"/>
+ <o:File HRef="filelist.xml"/>
+</xml>

HTMLversion/HTML/phreeqc3.htm

@@ -24,16 +24,16 @@
  <o:DocumentProperties>
   <o:Author>David Parkhurst</o:Author>
   <o:LastAuthor>David Parkhurst</o:LastAuthor>
-  <o:Revision>4</o:Revision>
-  <o:TotalTime>2768</o:TotalTime>
+  <o:Revision>5</o:Revision>
+  <o:TotalTime>2771</o:TotalTime>
   <o:Created>2024-04-27T22:14:00Z</o:Created>
-  <o:LastSaved>2024-05-07T23:37:00Z</o:LastSaved>
+  <o:LastSaved>2024-11-11T17:18:00Z</o:LastSaved>
   <o:Pages>4</o:Pages>
-  <o:Words>1662</o:Words>
-  <o:Characters>9474</o:Characters>
-  <o:Lines>78</o:Lines>
+  <o:Words>1671</o:Words>
+  <o:Characters>9528</o:Characters>
+  <o:Lines>79</o:Lines>
   <o:Paragraphs>22</o:Paragraphs>
-  <o:CharactersWithSpaces>11114</o:CharactersWithSpaces>
+  <o:CharactersWithSpaces>11177</o:CharactersWithSpaces>
   <o:Version>16.00</o:Version>
  </o:DocumentProperties>
  <o:OfficeDocumentSettings>
@@ -45,7 +45,7 @@
 <!--[if gte mso 9]><xml>
  <w:WordDocument>
   <w:View>Print</w:View>
-  <w:Zoom>137</w:Zoom>
+  <w:Zoom>152</w:Zoom>
   <w:SpellingState>Clean</w:SpellingState>
   <w:GrammarState>Clean</w:GrammarState>
   <w:TrackMoves>false</w:TrackMoves>
@@ -2621,7 +2621,7 @@
 
 <div class=WordSection1>
 
-<div class=MsoNormal align=center style='text-align:center;line-height:106%'>
+<div class=MsoNormal align=center style='text-align:center;line-height:105%'>
 
 <hr size=2 width="100%" align=center>
 
@@ -2688,8 +2688,8 @@
 <p class=fm2toc-heading style='vertical-align:baseline'><a
 name="50593799_pgfId-1175913"></a><span style='font-family:"Arial",sans-serif;
 mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast;
-color:black'><a href="phreeqc3-3.htm#50593799_32477">PHREEQC Modules for Use
-with Scripting and Programming Languages</a><o:p></o:p></span></p>
+color:black'><a href="phreeqc3-3.htm#50593799_32477">PHREEQC Modules for Use with
+Scripting and Programming Languages</a><o:p></o:p></span></p>
 
 <p class=fm1toc-heading style='vertical-align:baseline'><a
 name="50593799_pgfId-1175972"></a><span style='font-family:"Arial",sans-serif;
@@ -2857,7 +2857,14 @@
 <p class=fm1toc-heading style='vertical-align:baseline'><a
 name="50593799_pgfId-1103639"></a><span style='font-family:"Arial",sans-serif;
 mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast;
-color:black'><a href="phreeqc3-16.htm#50593793_65476">EXCHANGE_SPECIES</a><o:p></o:p></span></p>
+color:black'><a href="phreeqc3-16.htm#50593793_65476">EXCHANGE_SPECIES</a></span><span
+style='font-family:"Arial",sans-serif;mso-fareast-font-family:"Times New Roman";
+mso-fareast-theme-font:minor-fareast;color:#00B050'><o:p></o:p></span></p>
+
+<p class=fm1toc-heading style='vertical-align:baseline'><span style='font-family:
+"Arial",sans-serif;mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:
+minor-fareast;color:#00B050'><a href="gas_binary_parameters.htm"><span
+style='color:#00B050'>GAS_BINARY_PARAMETERS</span></a><o:p></o:p></span></p>
 
 <p class=fm1toc-heading style='vertical-align:baseline'><a
 name="50593799_pgfId-1103646"></a><span style='font-family:"Arial",sans-serif;

database/Amm.dat

@@ -1,7 +1,3 @@
-# File 1 = C:\GitPrograms\phreeqc3-1\database\Amm.dat, 22/05/2024  19:38, 1948 lines, 55817 bytes, md5=78b3659799b73ddca128328b6ee7533b
-# Created 22 May 2024 19:55:37
-# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts Amm.dat
-
 # PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on:
 #   diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
 # Details are given at the end of this file.
@@ -67,13 +63,13 @@ SOLUTION_SPECIES
 H+ = H+
 	-gamma 9 0
 	-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4
-	-dw 9.31e-9  838   16.315  0   2.376  24.01  0
-#	    Dw(25 C) dw_T  a       a2  visc   a3     a_v_dif
+	-dw 9.31e-9 838 6.96 -2.285 0.206 24.01 0
+#	   Dw(25 C) dw_T a    a2    visc  a3    a_v_dif
 # Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc
-# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif
+# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif for tracer diffusion.
 
-# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 2.376 for H+)
-# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn. (a2 = Vm = 0 for H+, the reference for Vm)
+# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 0.206 for H+)
+# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Onsager-Falkenhagen eqn. (For H+, the reference ion, vm = v0 = 0, a *= (1 + mu)^a2.)
 # a3 = -10 ? ka = DH_B * a * mu^a2  (Define a3 = -10, not used in this database.) (a3 = 24.01 for H+, a flag.)
 # -3 < a3 < 4 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka)) (Sr+2 in this database)
 
@@ -176,7 +172,7 @@ F- = F-
 Br- = Br-
 	-gamma 3 0
 	-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
-	-viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82
+	-viscosity -6.98e-2 -0.141 1.78e-2 0.159 7.76e-3 6.25e-2 0.859
 	-dw 2.09e-9 208 3.5 0 0.5737
 Zn+2 = Zn+2
 	-gamma 5 0
@@ -1327,7 +1323,17 @@ Pb(OH)2 389
 	Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
 	-log_k 8.15
 	-delta_h -13.99 kcal
-
+GAS_BINARY_PARAMETERS
+H2O(g)  CO2(g)           0.19
+H2O(g)  H2S(g)           0.19
+H2O(g)  H2Sg(g)          0.19
+H2O(g)  CH4(g)           0.49
+H2O(g)  Mtg(g)           0.49
+H2O(g)  Methane(g)       0.49
+H2O(g)  N2(g)            0.49
+H2O(g)  Ntg(g)           0.49
+H2O(g)  Ethane(g)        0.49
+H2O(g)  Propane(g)       0.55
 EXCHANGE_MASTER_SPECIES
 	X X-
 EXCHANGE_SPECIES
@@ -1908,10 +1914,11 @@ END
 # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
 #   Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin.
 # Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS.
-#   Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
+#   These binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
 #    hard-coded in calc_PR():
 #    kij    CH4    CO2    H2S    N2
 #    H2O    0.49   0.19   0.19   0.49
+#    but are overwritten by the data block GAS_BINARY_PARAMETERS of this file.
 # =============================================================================================
 # The molar volumes of solids are entered with
 #			 -Vm vm cm3/mol

database/phreeqc.dat

@@ -67,13 +67,13 @@ SOLUTION_SPECIES
 H+ = H+
 	-gamma 9 0
 	-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4
-	-dw 9.31e-9  838   16.315  0   2.376  24.01  0
-#	    Dw(25 C) dw_T  a       a2  visc   a3     a_v_dif
+	-dw 9.31e-9 838 6.96 -2.285 0.206 24.01 0
+#	   Dw(25 C) dw_T a    a2    visc  a3    a_v_dif
 # Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc
-# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif
+# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif for tracer diffusion.
 
-# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 2.376 for H+)
-# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn. (a2 = Vm = 0 for H+, the reference for Vm)
+# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 0.206 for H+)
+# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Onsager-Falkenhagen eqn. (For H+, the reference ion, vm = v0 = 0, a *= (1 + mu)^a2.)
 # a3 = -10 ? ka = DH_B * a * mu^a2  (Define a3 = -10, not used in this database.) (a3 = 24.01 for H+, a flag.)
 # -3 < a3 < 4 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka)) (Sr+2 in this database)
 
@@ -176,7 +176,7 @@ F- = F-
 Br- = Br-
 	-gamma 3 0
 	-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
-	-viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82
+	-viscosity -6.98e-2 -0.141 1.78e-2 0.159 7.76e-3 6.25e-2 0.859
 	-dw 2.09e-9 208 3.5 0 0.5737
 Zn+2 = Zn+2
 	-gamma 5 0
@@ -1327,7 +1327,17 @@ Pb(OH)2 389
 	Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
 	-log_k 8.15
 	-delta_h -13.99 kcal
-
+GAS_BINARY_PARAMETERS
+H2O(g)  CO2(g)           0.19
+H2O(g)  H2S(g)           0.19
+H2O(g)  H2Sg(g)          0.19
+H2O(g)  CH4(g)           0.49
+H2O(g)  Mtg(g)           0.49
+H2O(g)  Methane(g)       0.49
+H2O(g)  N2(g)            0.49
+H2O(g)  Ntg(g)           0.49
+H2O(g)  Ethane(g)        0.49
+H2O(g)  Propane(g)       0.55
 EXCHANGE_MASTER_SPECIES
 	X X-
 EXCHANGE_SPECIES
@@ -1908,10 +1918,11 @@ END
 # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
 #   Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin.
 # Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS.
-#   Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
+#   These binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
 #    hard-coded in calc_PR():
 #    kij    CH4    CO2    H2S    N2
 #    H2O    0.49   0.19   0.19   0.49
+#    but are overwritten by the data block GAS_BINARY_PARAMETERS of this file.
 # =============================================================================================
 # The molar volumes of solids are entered with
 #			 -Vm vm cm3/mol

database/phreeqc_rates.dat

@@ -1,7 +1,3 @@
-# File 1 = C:\GitPrograms\phreeqc3-1\database\phreeqc_rates.dat, 24/05/2024  01:41, 3147 lines, 110328 bytes, md5=7fc916311a573d0ad7ce880f996a9bbf
-# Created 24 May 2024 01:58:45
-# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts phreeqc_rates.dat
-
 # PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Augmented with kinetic rates for minerals from compilations. Based on:
 #   diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
 # Details are given at the end of this file.
@@ -67,13 +63,13 @@ SOLUTION_SPECIES
 H+ = H+
 	-gamma 9 0
 	-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4
-	-dw 9.31e-9  838   16.315  0   2.376  24.01  0
-#	    Dw(25 C) dw_T  a       a2  visc   a3     a_v_dif
+	-dw 9.31e-9 838 6.96 -2.285 0.206 24.01 0
+#	   Dw(25 C) dw_T a    a2    visc  a3    a_v_dif
 # Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc
-# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif
+# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif for tracer diffusion.
 
-# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 2.376 for H+)
-# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn. (a2 = Vm = 0 for H+, the reference for Vm)
+# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 0.206 for H+)
+# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Onsager-Falkenhagen eqn. (For H+, the reference ion, vm = v0 = 0, a *= (1 + mu)^a2.)
 # a3 = -10 ? ka = DH_B * a * mu^a2  (Define a3 = -10, not used in this database.) (a3 = 24.01 for H+, a flag.)
 # -3 < a3 < 4 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka)) (Sr+2 in this database)
 
@@ -176,7 +172,7 @@ F- = F-
 Br- = Br-
 	-gamma 3 0
 	-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
-	-viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82
+	-viscosity -6.98e-2 -0.141 1.78e-2 0.159 7.76e-3 6.25e-2 0.859
 	-dw 2.09e-9 208 3.5 0 0.5737
 Zn+2 = Zn+2
 	-gamma 5 0
@@ -1327,7 +1323,17 @@ Pb(OH)2 389
 	Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
 	-log_k 8.15
 	-delta_h -13.99 kcal
-
+GAS_BINARY_PARAMETERS
+H2O(g)  CO2(g)           0.19
+H2O(g)  H2S(g)           0.19
+H2O(g)  H2Sg(g)          0.19
+H2O(g)  CH4(g)           0.49
+H2O(g)  Mtg(g)           0.49
+H2O(g)  Methane(g)       0.49
+H2O(g)  N2(g)            0.49
+H2O(g)  Ntg(g)           0.49
+H2O(g)  Ethane(g)        0.49
+H2O(g)  Propane(g)       0.55
 EXCHANGE_MASTER_SPECIES
 	X X-
 EXCHANGE_SPECIES
@@ -3098,10 +3104,11 @@ Wollastonite    -6.97   700             56      0.4     0       0
 # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
 #   Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin.
 # Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS.
-#   Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
+#   These binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
 #    hard-coded in calc_PR():
 #    kij    CH4    CO2    H2S    N2
 #    H2O    0.49   0.19   0.19   0.49
+#    but are overwritten by the data block GAS_BINARY_PARAMETERS of this file.
 # =============================================================================================
 # The molar volumes of solids are entered with
 #			 -Vm vm cm3/mol

database/pitzer.dat

@@ -1,7 +1,3 @@
-# File 1 = C:\GitPrograms\phreeqc3-1\database\pitzer.dat, 22/05/2024  19:46, 1033 lines, 38088 bytes, md5=d70476773ed110a269ebbcaf334f1133
-# Created 22 May 2024 19:49:25
-# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts pitzer.dat
-
 # Pitzer.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution, using
 #   diffusion coefficients of species, molal volumina of aqueous species and minerals, and critical temperatures and pressures of gases used in Peng-Robinson's EOS.
 # Details are given at the end of this file.
@@ -40,13 +36,13 @@ Ntg         Ntg     0   Ntg             28.0134 # N2 gas
 SOLUTION_SPECIES
 H+ = H+
 	-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4
-	-dw 9.31e-9  823   5.55  0  3.07  24.01  0
-#	    Dw(25 C) dw_T  a     a2 visc  a3     a_v_dif
+	-dw 9.31e-9 838 4.02 -1.836 0.415 24.01 0
+#	   Dw(25 C) dw_T  a     a2   visc  a3   a_v_dif
 # Dw(TK) = 9.31e-9 * exp(823 / TK - 823 / 298.15) * viscos_0_25 / viscos_0_tc
-# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif
+# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif for tracer diffusion.
 
-# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 3.07 for H+)
-# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn. (a2 = Vm = 0 for H+, the reference for Vm)
+# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 0.415 for H+)
+# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Onsager-Falkenhagen eqn. (For H+, the reference ion, vm = v0 = 0, a *= (1 + mu)^a2.)
 # a3 = -10 ? ka = DH_B * a * mu^a2 in DHO.  (Define a3 = -10.)
 # -5 < a3 < 5 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka))
 
@@ -107,7 +103,7 @@ B(OH)3 = B(OH)3
 	-dw 1.1e-9
 Br- = Br-
 	-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
-	-viscosity -1.16e-2 -5.23e-2 5.54e-2 1.22e-2 0.119 0.9969 0.818
+	-viscosity -6.98e-2 -0.141 1.78e-2 0.159 7.76e-3 6.25e-2 0.859
 	-dw 2.09e-9 208 3.5 0 0.5737
 H4SiO4 = H4SiO4
 	-Vm 10.5 1.7 20 -2.7 0.1291 # supcrt  2*H2O in a1
@@ -787,6 +783,17 @@ PITZER
   K+        OH-       SO4-2     -0.05
   Mg+2      Na+       SO4-2     -0.015
   Na+       OH-       SO4-2     -0.009
+GAS_BINARY_PARAMETERS
+H2O(g)  CO2(g)           0.19
+H2O(g)  H2S(g)           0.19
+H2O(g)  H2Sg(g)          0.19
+H2O(g)  CH4(g)           0.49
+H2O(g)  Mtg(g)           0.49
+H2O(g)  Methane(g)       0.49
+H2O(g)  N2(g)            0.49
+H2O(g)  Ntg(g)           0.49
+H2O(g)  Ethane(g)        0.49
+H2O(g)  Propane(g)       0.55
 EXCHANGE_MASTER_SPECIES
 	X X-
 EXCHANGE_SPECIES
@@ -980,10 +987,11 @@ END
 # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
 #   Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin.
 # Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS.
-#   Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
+#   These binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
 #    hard-coded in calc_PR():
 #    kij    CH4    CO2    H2S    N2
 #    H2O    0.49   0.19   0.19   0.49
+#    but are overwritten by the data block GAS_BINARY_PARAMETERS of this file.
 # =============================================================================================
 # The molar volumes of solids are entered with
 #                         -Vm	vm cm3/mol