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https://github.com/ANL-CEEESA/LLEPE.git
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Added new feature to include custom_object_dicts where user can optimize parameters in the dependent_params_dict.
This commit is contained in:
titusquah
1
data/jsons/min_h0_pitzer_params.txt
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1
data/jsons/min_h0_pitzer_params.txt
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@@ -33,7 +33,7 @@
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<thermo>
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<const_cp Tmax="300.0" Tmin="298.0">
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<t0 units="K">298.14999999999998</t0>
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<h0 units="J/mol" updated="Updated at 17:50 7-14-2020">-1459500.0</h0>
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<h0 units="J/mol" updated="Updated at 8:35 7-15-2020">-1459900.0</h0>
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<s0 units="J/mol/K"> 558.9824 </s0>
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<cp0 units="J/mol/K"> 0.0</cp0>
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</const_cp>
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@@ -50,7 +50,7 @@
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<const_cp Tmax="300.0" Tmin="298.0">
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<t0 units="K">298.14999999999998</t0>
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<h0 units="J/mol" updated="Updated at 17:50 7-14-2020">-5178500.0</h0>
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<h0 units="J/mol" updated="Updated at 8:35 7-15-2020">-5178185.714285715</h0>
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<s0 units="J/mol/K"> 1117.965 </s0>
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<cp0 units="J/mol/K">0.0</cp0>
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</const_cp>
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@@ -67,7 +67,7 @@
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<const_cp Tmax="300.0" Tmin="298.0">
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<t0 units="K">298.14999999999998</t0>
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<h0 units="J/mol" updated="Updated at 9:15 7-14-2020">-1987389.753778593</h0>
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<h0 units="J/mol" updated="Updated at 23:12 7-14-2020">-5177400.0</h0>
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<s0 units="J/mol/K"> 1117.965 </s0>
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<cp0 units="J/mol/K">0.0</cp0>
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</const_cp>
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@@ -85,7 +85,7 @@
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<const_cp Tmax="300.0" Tmin="298.0">
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<t0 units="K">298.14999999999998</t0>
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<h0 units="J/mol" updated="Updated at 9:15 7-14-2020">-1979346.232242925</h0>
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<h0 units="J/mol" updated="Updated at 23:48 7-14-2020">-5177400.0</h0>
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<s0 units="J/mol/K"> 1117.965 </s0>
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<cp0 units="J/mol/K">0.0</cp0>
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</const_cp>
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@@ -103,7 +103,7 @@
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<const_cp Tmax="300.0" Tmin="298.0">
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<t0 units="K">298.14999999999998</t0>
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<h0 units="J/mol" updated="Updated at 9:15 7-14-2020">-1979095.7087687952</h0>
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<h0 units="J/mol" updated="Updated at 1:32 7-15-2020">-5177400.0</h0>
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<s0 units="J/mol/K"> 1117.965 </s0>
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<cp0 units="J/mol/K">0.0</cp0>
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</const_cp>
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@@ -120,7 +120,7 @@
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<const_cp Tmax="300.0" Tmin="298.0">
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<t0 units="K">298.14999999999998</t0>
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<h0 units="J/mol" updated="Updated at 9:15 7-14-2020">-1979518.3587197603</h0>
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<h0 units="J/mol" updated="Updated at 2:1 7-15-2020">-5177400.0</h0>
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<s0 units="J/mol/K"> 1117.965 </s0>
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<cp0 units="J/mol/K">0.0</cp0>
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</const_cp>
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@@ -138,7 +138,7 @@
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<const_cp Tmax="300.0" Tmin="298.0">
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<t0 units="K">298.14999999999998</t0>
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<h0 units="J/mol" updated="Updated at 9:15 7-14-2020">-1997266.6892106486</h0>
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<h0 units="J/mol" updated="Updated at 3:3 7-15-2020">-5178028.571428572</h0>
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<s0 units="J/mol/K"> 1117.965 </s0>
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<cp0 units="J/mol/K">0.0</cp0>
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</const_cp>
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@@ -157,7 +157,7 @@
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<const_cp Tmax="300.0" Tmin="298.0">
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<t0 units="K">298.14999999999998</t0>
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<h0 units="J/mol" updated="Updated at 9:15 7-14-2020">-1976678.5252282412</h0>
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<h0 units="J/mol" updated="Updated at 2:24 7-15-2020">-5177400.0</h0>
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<s0 units="J/mol/K"> 1117.965 </s0>
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<cp0 units="J/mol/K">0.0</cp0>
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</const_cp>
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@@ -245,10 +245,10 @@
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</binarySaltParameters>
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<binarySaltParameters anion="Cl-" cation="Pr+++">
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<beta0 updated="Updated at 9:15 7-14-2020"> 0.5278102798121455, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 9:15 7-14-2020"> 4.785988176310507, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta0 updated="Updated at 23:15 7-14-2020"> 1.229318338775545, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 23:15 7-14-2020"> 7.705236327609295, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta2> 0.0, 0.0, 0.0, 0.0, 0.0 </beta2>
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<Cphi updated="Updated at 9:15 7-14-2020"> -0.020676879473540816, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Cphi updated="Updated at 23:15 7-14-2020"> -0.020355000251503143, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Alpha1> 2 </Alpha1>
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<Alpha2> 0 </Alpha2>
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<source>
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@@ -261,10 +261,10 @@
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</binarySaltParameters>
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<binarySaltParameters anion="Cl-" cation="Nd+++">
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<beta0 updated="Updated at 17:50 7-14-2020"> 0.5877, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 17:50 7-14-2020"> 5.206, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta0 updated="Updated at 8:35 7-15-2020"> 0.5877, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 8:35 7-15-2020"> 5.206, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta2> 0.0, 0.0, 0.0, 0.0, 0.0 </beta2>
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<Cphi updated="Updated at 17:50 7-14-2020"> -0.01969, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Cphi updated="Updated at 8:35 7-15-2020"> -0.01969, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Alpha1> 2 </Alpha1>
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<Alpha2> 0 </Alpha2>
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<source>
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@@ -277,10 +277,10 @@
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</binarySaltParameters>
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<binarySaltParameters anion="Cl-" cation="La+++">
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<beta0 updated="Updated at 9:15 7-14-2020"> 0.5899801656939334, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 9:15 7-14-2020"> 5.2501373713255015, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta0 updated="Updated at 1:35 7-15-2020"> 1.199616118936196, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 1:35 7-15-2020"> 13.377018086968107, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta2> 0.0, 0.0, 0.0, 0.0, 0.0 </beta2>
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<Cphi updated="Updated at 9:15 7-14-2020"> -0.024346940036902652, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Cphi updated="Updated at 1:35 7-15-2020"> -0.023995730879246852, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Alpha1> 2 </Alpha1>
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<Alpha2> 0 </Alpha2>
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<source>
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@@ -293,10 +293,10 @@
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</binarySaltParameters>
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<binarySaltParameters anion="Cl-" cation="Dy+++">
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<beta0 updated="Updated at 9:15 7-14-2020"> 0.5596867100821611, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 9:15 7-14-2020"> 10.342085390765986, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta0 updated="Updated at 2:4 7-15-2020"> 0.6129037619837437, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 2:4 7-15-2020"> 5.359070120380359, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta2> 0.0, 0.0, 0.0, 0.0, 0.0 </beta2>
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<Cphi updated="Updated at 9:15 7-14-2020"> -0.019685111861351003, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Cphi updated="Updated at 2:4 7-15-2020"> -0.01969999915450973, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Alpha1> 2 </Alpha1>
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<Alpha2> 0 </Alpha2>
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<source>
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@@ -309,10 +309,10 @@
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</binarySaltParameters>
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<binarySaltParameters anion="Cl-" cation="Ce+++">
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<beta0 updated="Updated at 9:15 7-14-2020"> 0.6810742399099214, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 9:15 7-14-2020"> 5.317778808636538, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta0 updated="Updated at 23:50 7-14-2020"> 0.4845924897449592, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 23:50 7-14-2020"> 0.49100000000000005, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta2> 0.0, 0.0, 0.0, 0.0, 0.0 </beta2>
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<Cphi updated="Updated at 9:15 7-14-2020"> -0.026217518942691358, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Cphi updated="Updated at 23:50 7-14-2020"> -0.026227452256417736, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Alpha1> 2 </Alpha1>
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<Alpha2> 0 </Alpha2>
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<source>
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@@ -325,10 +325,10 @@
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</binarySaltParameters>
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<binarySaltParameters anion="Cl-" cation="Y+++">
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<beta0 updated="Updated at 9:15 7-14-2020"> 0.8868493033190087, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 9:15 7-14-2020"> 9.868500461244988, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta0 updated="Updated at 3:3 7-15-2020"> 0.6248, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 3:3 7-15-2020"> 5.66, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta2> 0.0, 0.0, 0.0, 0.0, 0.0 </beta2>
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<Cphi updated="Updated at 9:15 7-14-2020"> -0.03051604910307843, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Cphi updated="Updated at 3:3 7-15-2020"> -0.01563, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Alpha1> 2 </Alpha1>
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<Alpha2> 0 </Alpha2>
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<source>
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@@ -341,10 +341,10 @@
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</binarySaltParameters>
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<binarySaltParameters anion="Cl-" cation="Sm+++">
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<beta0 updated="Updated at 9:15 7-14-2020"> 0.5872950937394924, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 9:15 7-14-2020"> 6.850703030567289, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta0 updated="Updated at 2:25 7-15-2020"> 0.5977999158894437, 0.0, 0.0, 0.0, 0.0 </beta0>
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<beta1 updated="Updated at 2:25 7-15-2020"> 5.278997937589517, 0.0, 0.0, 0.0, 0.0 </beta1>
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<beta2> 0.0, 0.0, 0.0, 0.0, 0.0 </beta2>
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<Cphi updated="Updated at 9:15 7-14-2020"> -0.020035536849683018, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Cphi updated="Updated at 2:25 7-15-2020"> -0.019920000010410537, 0.0, 0.0, 0.0, 0.0 </Cphi>
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<Alpha1> 2 </Alpha1>
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<Alpha2> 0 </Alpha2>
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<source>
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@@ -50,7 +50,7 @@
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<const_cp Tmax="300.0" Tmin="298.0">
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<t0 units="K">298.14999999999998</t0>
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<h0 units="J/mol" updated="Updated at 10:50 7-14-2020">-4704699.156668724</h0>
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<h0 units="J/mol" updated="Updated at 15:42 7-15-2020">-4704699.156668724</h0>
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<s0 units="J/mol/K"> 1117.965 </s0>
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<cp0 units="J/mol/K">0.0</cp0>
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</const_cp>
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