added more diffusion constants

isotables/isotopapp/templates/diffusion.html

@@ -6,7 +6,13 @@
   <h2>  {{ standard_name|safe }} </h2>
     <table class="table w-auto table-responsive-sm table-striped table-hover table-bordered">
         <caption>
+            <p>
+            <a href="https://doi.org/10.1039/B005319H" >Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate 1H NMRPFG measurements</a>
             Holz et al. Phys. Chem. Chem. Phys., 2000, 2, 4740-4742
+            </p>
+            <p>
+            <a href="http://dx.doi.org/10.1021/acs.jced.5b00246">Viscous Calibration Liquids for Self-Diffusion Measurements</a>,  K. R. Harris et al. Journal of Chemical & Engineering Data 2015 60 (12), 3506-3517
+            </p>
         </caption>
         <thead class="table-dark">
         <tr>

isotables/isotopapp/templates/sfg.html

@@ -63,6 +63,9 @@
                         <option value="dodecane">D(Dodecane)</option>
                         <option value="dioxane">D(Dioxane)</option>
                         <option value="dmso">D(DMSO)</option>
+                        <option value="otp">D(Ortoterphenyl)</option>
+                        <option value="squalene">D(Squalene)</option>
+                        <option value="ehb">D(EHB)</option>
                 </select>
             </div>
             <div class="col">

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"