diff --git a/isotables/isotopapp/templates/diffusion.html b/isotables/isotopapp/templates/diffusion.html index c2d9b49..8108fbe 100644 --- a/isotables/isotopapp/templates/diffusion.html +++ b/isotables/isotopapp/templates/diffusion.html @@ -6,7 +6,13 @@

{{ standard_name|safe }}

diff --git a/isotables/isotopapp/templates/sfg.html b/isotables/isotopapp/templates/sfg.html index 3984f96..0c9022a 100644 --- a/isotables/isotopapp/templates/sfg.html +++ b/isotables/isotopapp/templates/sfg.html @@ -63,6 +63,9 @@ + + +
diff --git a/isotables/isotopapp/views.py b/isotables/isotopapp/views.py index 62a2a73..dfef3a5 100644 --- a/isotables/isotopapp/views.py +++ b/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"
- Holz et al. Phys. Chem. Chem. Phys., 2000, 2, 4740-4742 +

+ Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate 1H NMRPFG measurements + Holz et al. Phys. Chem. Chem. Phys., 2000, 2, 4740-4742 +

+

+ Viscous Calibration Liquids for Self-Diffusion Measurements, K. R. Harris et al. Journal of Chemical & Engineering Data 2015 60 (12), 3506-3517 +