added more diffusion constants

isotables/isotopapp/views.py

@@ -307,7 +307,23 @@ def diffusion(request):
     elif standard == "pentanol":
         diffusion_constant = diff(8.4847, -2.9018, temperature)
         standard_name = "Pentanol"
-
+    elif standard == "squalene":
+        diffusion_constant = 1e-12*np.exp(10.303 - 992.2/(temperature-155.09))
+        standard_name = "Squalene"
+        caption = "http://dx.doi.org/10.1021/acs.jced.5b00246"
+    elif standard == "ehb":
+        diffusion_constant = 1e-12*np.exp(9.8256 - 641.0/(temperature-163.00))
+        standard_name = "EHB"
+        caption = "http://dx.doi.org/10.1021/acs.jced.5b00246"
+    elif standard == "otp":
+        poly_otp = np.array([ -0.81665639,   7.85049752, -29.72962161,  51.26737628,
+       -42.33608564])
+        # from 273 to 407K
+        if 273 < temperature < 407:
+            diffusion_constant = 10**np.polyval(poly_otp, 1e3/temperature)
+        else:
+            diffusion_constant = 0
+        standard_name = "Orthoterphenyl"