Changeset 464 for trunk/matml

Timestamp:

06/18/2009 03:15:23 PM (3 years ago)

Author:

powell

Message:

Equation update for new square terms to the free energy.

Files:

• trunk/matml/src/ternary/freenergy.c (modified) (2 diffs)

trunk/matml/src/ternary/freenergy.c

@@ -51 +51 @@
     entropy term, which allows one to use the Flory-Huggins model by setting
     that coefficient equal to the reciprocal of the molar volume.  To this it
-    adds binary interaction parameters.
+    adds binary and ternary interaction parameters.
     +latex+The resulting regular solution expression for free energy is:
     +latex+\begin{eqnarray}
@@ -58 +58 @@
     +latex+  &+& RT \left(S_1C_1\log C_1
     +latex+    + S_2C_2\log C_2
-    +latex+    + S_3C_3\log C_3\right) \\\ \nonumber
+    +latex+    + S_3C_3\log C_3
+    +latex+    + S_4(1-C_2)\log(1-C_2)
+    +latex+    + S_5(1-C_3)\log(1-C_3)\right) \\\ \nonumber
     +latex+  &+& \Omega_{12}C_1C_2 + \Omega_{13}C_1C_3
-    +latex+  + \Omega_{23}C_2C_3 +\Omega_{123}C_1C_2C_3.
+    +latex+  + \Omega_{23}C_2C_3 +\Omega_{123}C_1C_2C_3
+    +latex+  + \Omega_{234}C_2C_3(1-C_2) + \Omega_{235}C_2C_3(1-C_3)
+    +latex+  + \Omega_{245}C_2(1-C_2)(1-C_3) + \Omega_{345}C_3(1-C_2)(1-C_3)
+    +latex+  + \Omega_{2345}C_2C_3(1-C_2)(1-C_3).
     +latex+\end{eqnarray}
     +*/