From dedf9d7acb4d920a90d7796066e4aa810108321f Mon Sep 17 00:00:00 2001 From: titusquah <46580668+titusquah@users.noreply.github.com> Date: Tue, 14 Jul 2020 18:18:55 -0600 Subject: [PATCH] added outputs folder to examples --- docs/Examples/outputs/temp.xml | 716 +++++++++++++++++++++++++++++++++ 1 file changed, 716 insertions(+) create mode 100644 docs/Examples/outputs/temp.xml diff --git a/docs/Examples/outputs/temp.xml b/docs/Examples/outputs/temp.xml new file mode 100644 index 0000000..effd3c4 --- /dev/null +++ b/docs/Examples/outputs/temp.xml @@ -0,0 +1,716 @@ + + + + + + + Cl O H C P Nd Pr Ce La Dy Y Sm dummy + + + (HA)2(org) dodecane Nd(H(A)2)3(org) Pr(H(A)2)3(org) Ce(H(A)2)3(org) La(H(A)2)3(org) Dy(H(A)2)3(org) Sm(H(A)2)3(org) Y(H(A)2)3(org) + + + 298.15 + 100000.0 + + (HA)2(org): 0.25 + + + + + + + + + + + + + + + + C:16 H:35 O:3 P:1 + + + 298.14999999999998 + -1459500.0 + 558.9824 + 0.0 + + + + 0.320974226079 + + + + + + C:48 H:102 O:9 P:3 Nd:1 + + + 298.14999999999998 + + -5178500.0 + 1117.965 + 0.0 + + + + 0.973500071223 + + + + + + C:48 H:102 O:9 P:3 Pr:1 + + + 298.14999999999998 + + -1987389.753778593 + 1117.965 + 0.0 + + + + 0.979936421078 + + + + + + + C:48 H:102 O:9 P:3 Ce:1 + + + 298.14999999999998 + + -1979346.232242925 + 1117.965 + 0.0 + + + + 1.0060487218 + + + + + + + C:48 H:102 O:9 P:3 La:1 + + + 298.14999999999998 + + -1979095.7087687952 + 1117.965 + 0.0 + + + + 0.981485801577 + + + + + + C:48 H:102 O:9 P:3 Dy:1 + + + 298.14999999999998 + + -1979518.3587197603 + 1117.965 + 0.0 + + + + 0.961666360676 + + + + + + + C:48 H:102 O:9 P:3 Y:1 + + + 298.14999999999998 + + -1997266.6892106486 + 1117.965 + 0.0 + + + + 0.958888814485 + + + + + + + + C:48 H:102 O:9 P:3 Sm:1 + + + 298.14999999999998 + + -1976678.5252282412 + 1117.965 + 0.0 + + + + 0.9642 + + + + + + + C:48 H:102 O:9 P:3 Gd:1 + + + 298.14999999999998 + + -4829446.858 + 1117.965 + 0.0 + + + + 0.9642 + + + + + + + dummy:1 + + + + 298.14999999999998 + + 0.0 + 0.0 + 0.0 + + + + 0.227113 + + + + + + + + + + H2O(L) H+ OH- Cl- Nd+++ Pr+++ Ce+++ La+++ Dy+++ Sm+++ Y+++ + + + + 298.15 + 100000.0 + + Cl-: 1.0E-7 + H+: 1.0E-7 + + + + + + + + + + + + 0.177000779, 0.000125778, 0.0, -33.4777082, -0.262214535 + 0.292922504, -0.027938838, 0.0, 3402.47027, 19.7936248 + 0.0, 0.0, 0.0, 0.0, 0.0 + 0.000362, -0.00003036, 0.0, -2.91038E-11, 0.0 + 2 + 12 + + refit of Holmes, H.F., Busey, J.M., Simonson, J.M., Mesmer, R.E., + Archer, D.G., and Wood, R.H., 1987, The enthalpy of dilution of HCl(aq) + to 648 K and 4p MPa. Thermodynamic properties, Journal of Chemical + Thermodynamics, v. 19, p. 863-890. + + + + + 0.5278102798121455, 0.0, 0.0, 0.0, 0.0 + 4.785988176310507, 0.0, 0.0, 0.0, 0.0 + 0.0, 0.0, 0.0, 0.0, 0.0 + -0.020676879473540816, 0.0, 0.0, 0.0, 0.0 + 2 + 0 + + Table S1: Pitzer parameters for osmotic and activity coeff Supp Info. + May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E. + A generic and updatable Pitzer characterization of aqueous binary electrolyte + solutions at 1 bar and 25 C. + Journal of Chemical and Engineering Data 2011,56, 5066–5077. + + + + + 0.5877, 0.0, 0.0, 0.0, 0.0 + 5.206, 0.0, 0.0, 0.0, 0.0 + 0.0, 0.0, 0.0, 0.0, 0.0 + -0.01969, 0.0, 0.0, 0.0, 0.0 + 2 + 0 + + Table S1: Pitzer parameters for osmotic and activity coeff Supp Info. + May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E. + A generic and updatable Pitzer characterization of aqueous binary electrolyte + solutions at 1 bar and 25 C. + Journal of Chemical and Engineering Data 2011,56, 5066–5077. + + + + + 0.5899801656939334, 0.0, 0.0, 0.0, 0.0 + 5.2501373713255015, 0.0, 0.0, 0.0, 0.0 + 0.0, 0.0, 0.0, 0.0, 0.0 + -0.024346940036902652, 0.0, 0.0, 0.0, 0.0 + 2 + 0 + + Table S1: Pitzer parameters for osmotic and activity coeff Supp Info. + May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E. + A generic and updatable Pitzer characterization of aqueous binary electrolyte + solutions at 1 bar and 25 C. + Journal of Chemical and Engineering Data 2011,56, 5066–5077. + + + + + 0.5596867100821611, 0.0, 0.0, 0.0, 0.0 + 10.342085390765986, 0.0, 0.0, 0.0, 0.0 + 0.0, 0.0, 0.0, 0.0, 0.0 + -0.019685111861351003, 0.0, 0.0, 0.0, 0.0 + 2 + 0 + + Table S1: Pitzer parameters for osmotic and activity coeff Supp Info. + May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E. + A generic and updatable Pitzer characterization of aqueous binary electrolyte + solutions at 1 bar and 25 C. + Journal of Chemical and Engineering Data 2011,56, 5066–5077. + + + + + 0.6810742399099214, 0.0, 0.0, 0.0, 0.0 + 5.317778808636538, 0.0, 0.0, 0.0, 0.0 + 0.0, 0.0, 0.0, 0.0, 0.0 + -0.026217518942691358, 0.0, 0.0, 0.0, 0.0 + 2 + 0 + + Table S1: Pitzer parameters for osmotic and activity coeff Supp Info. + May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E. + A generic and updatable Pitzer characterization of aqueous binary electrolyte + solutions at 1 bar and 25 C. + Journal of Chemical and Engineering Data 2011,56, 5066–5077. + + + + + 0.8868493033190087, 0.0, 0.0, 0.0, 0.0 + 9.868500461244988, 0.0, 0.0, 0.0, 0.0 + 0.0, 0.0, 0.0, 0.0, 0.0 + -0.03051604910307843, 0.0, 0.0, 0.0, 0.0 + 2 + 0 + + Table S1: Pitzer parameters for osmotic and activity coeff Supp Info. + May, P. M.; Rowland, D.; Hefter, G.; Konigsberger, E. + A generic and updatable Pitzer characterization of aqueous binary electrolyte + solutions at 1 bar and 25 C. + Journal of Chemical and Engineering Data 2011,56, 5066–5077. + + + + + 0.5872950937394924, 0.0, 0.0, 0.0, 0.0 + 6.850703030567289, 0.0, 0.0, 0.0, 0.0 + 0.0, 0.0, 0.0, 0.0, 0.0 + -0.020035536849683018, 0.0, 0.0, 0.0, 0.0 + 2 + 0 + + Table S1: Pitzer parameters for osmotic and activity coeff Supp Info. + May, P. 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