other isotopes in isotopic fractionation dynamic; isotopic ratio evolution in a single-timestep simulation using Bolin number (with plots depicting Gedzelman & Arnold condition for different droplet concentrations)

[AgnieszkaZaba]

No description provided.

[codecov]

Codecov Report

❌ Patch coverage is 90.00000% with 3 lines in your changes missing coverage. Please review.
✅ Project coverage is 86.96%. Comparing base (e793ea2) to head (5f50c34).
⚠️ Report is 1 commits behind head on main.

Files with missing lines	Patch %	Lines
...ySDM/physics/isotope_ratio_evolution/zaba_et_al.py	57.14%	3 Missing ⚠️

Additional details and impacted files

@@           Coverage Diff           @@
##             main    #1834   +/-   ##
=======================================
  Coverage   86.96%   86.96%           
=======================================
  Files         417      418    +1     
  Lines       10662    10688   +26     
=======================================
+ Hits         9272     9295   +23     
- Misses       1390     1393    +3     

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[slayoo]

Suggested change

	if isotope == "2H":
	D_ratio = ff.isotope_diffusivity_ratios__ratio_2H_heavy_to_light(T)
	alpha = ff.isotope_equilibrium_fractionation_factors__alpha_l_2H(T)
	if isotope == "3H":
	D_ratio = ff.isotope_diffusivity_ratios__ratio_3H_heavy_to_light(T)
	alpha = ff.isotope_equilibrium_fractionation_factors__alpha_l_3H(T)
	elif isotope == "18O":
	D_ratio = ff.isotope_diffusivity_ratios__ratio_18O_heavy_to_light(T)
	alpha = ff.isotope_equilibrium_fractionation_factors__alpha_l_18O(T)
	elif isotope == "17O":
	D_ratio = ff.isotope_diffusivity_ratios__ratio_17O_heavy_to_light(T)
	alpha = ff.isotope_equilibrium_fractionation_factors__alpha_l_17O(T)
	D_ratio = getattr(ff, f"isotope_diffusivity_ratios__ratio_{isotope}_heavy_to_light")(T)
	alpha = getattr(ff, f"isotope_equilibrium_fractionation_factors__alpha_l_{isotope}")(T)

[slayoo]

the signature here is different than in GedzelmanAndArnold1994:

PySDM/PySDM/physics/isotope_ratio_evolution/gedzelman_and_arnold_1994.py

Lines 15 to 17 in 61c04c7

	def saturation_for_zero_dR_condition(
	_, diff_rat_light_to_heavy, iso_ratio_x, iso_ratio_r, iso_ratio_v, b, alpha_w
	):

if it was intended, better to rename the function.
otherwise, best to retain uniform signatures across function of the same name within one "phycis folder"

[slayoo]

ditto - likely best to add unused parameters to Bolin's Bolin number here:

PySDM/PySDM/physics/isotope_relaxation_timescale/bolin_1958.py

Line 13 in 61c04c7

def bolin_number(const):

[slayoo]

it seems not mentioned anywhere in the notebook header that, unlike in the paper, we neglect ventillation effects - likely worth mentioning