From 3ecd3e3d8233f8cd3dc403dc9e9e4f19f3a1cb1a Mon Sep 17 00:00:00 2001
From: Dave Goodwin <dgg@caltech.edu>
Date: Sat, 8 Jan 2005 22:27:18 +0000
Subject: [PATCH] added water.cti

---
 data/inputs/graphite.cti |  2 +-
 data/inputs/water.cti    | 40 ++++++++++++++++++++++++++++++++++++++++
 2 files changed, 41 insertions(+), 1 deletion(-)
 create mode 100644 data/inputs/water.cti

diff --git a/data/inputs/graphite.cti b/data/inputs/graphite.cti
index a81037b9b..f6eb6a5b3 100644
--- a/data/inputs/graphite.cti
+++ b/data/inputs/graphite.cti
@@ -3,7 +3,7 @@ stoichiometric_solid(name = "graphite",
                      elements = "C",
                      species = "C(gr)",
                      density = (2.16, 'g/cm3'),
-                     initial_state = state(temperature = 1600.0,
+                     initial_state = state(temperature = 300.0,
                                            pressure = OneAtm)
                      )
 
diff --git a/data/inputs/water.cti b/data/inputs/water.cti
new file mode 100644
index 000000000..734b9bf7a
--- /dev/null
+++ b/data/inputs/water.cti
@@ -0,0 +1,40 @@
+# these two phases represent pure, condensed phases of water. They are
+# modeled as being incompressible. Note that the liquid water phase
+# defined here is very different from the phase "water" in
+# liquidvapor.cti, which uses an accurate liquid/vapor equation of
+# state. That one, however, cannot be used as a part of a multi-phase
+# mixture, while this one can.
+
+stoichiometric_solid(name = "ice",
+                     elements = "H O",
+                     species = "H2O(S)",
+                     density = (0.917, 'g/cm3'),
+                     initial_state = state(temperature = 300.0,
+                                           pressure = OneAtm)
+                     )
+
+stoichiometric_liquid(name = "liquid_water",
+                     elements = "H O",
+                     species = "H2O(L)",
+                     density = (1.0, 'g/cm3'),
+                     initial_state = state(temperature = 300.0,
+                                           pressure = OneAtm)
+                     )
+
+species(name = "H2O(S)",
+    atoms = " H:2  O:1 ",
+    thermo = (
+       NASA( [  200.00,  273.15], [  5.296779700E+00,  -6.757492470E-02, 
+                5.169421090E-04,  -1.438533600E-06,   1.525647940E-09,
+               -3.622665570E+04,  -1.792204280E+01] )
+             )
+       )
+
+species(name = "H2O(L)",
+    atoms = " H:2  O:1 ",
+    thermo = (
+       NASA( [  273.15,  600.00], [  7.255750050E+01,  -6.624454020E-01, 
+                2.561987460E-03,  -4.365919230E-06,   2.781789810E-09,
+               -4.188654990E+04,  -2.882801370E+02] )
+             )
+       )