Merge remote-tracking branch 'origin/isotopes' into isotopes

Author: AgnieszkaZaba

PySDM/formulae.py

@@ -49,6 +49,7 @@ def __init__(  # pylint: disable=too-many-locals
         heterogeneous_ice_nucleation_rate: str = "Null",
         fragmentation_function: str = "AlwaysN",
         isotope_equilibrium_fractionation_factors: str = "Null",
+        isotope_kinetic_fractionation_factors: str = "Null",
         isotope_meteoric_water_line: str = "Null",
         isotope_ratio_evolution: str = "Null",
         isotope_diffusivity_ratios: str = "Null",
@@ -88,6 +89,9 @@ def __init__(  # pylint: disable=too-many-locals
         self.isotope_equilibrium_fractionation_factors = (
             isotope_equilibrium_fractionation_factors
         )
+        self.isotope_kinetic_fractionation_factors = (
+            isotope_kinetic_fractionation_factors
+        )
         self.isotope_meteoric_water_line = isotope_meteoric_water_line
         self.isotope_ratio_evolution = isotope_ratio_evolution
         self.isotope_diffusivity_ratios = isotope_diffusivity_ratios

PySDM/physics/__init__.py

@@ -31,6 +31,7 @@
     hygroscopicity,
     impl,
     isotope_equilibrium_fractionation_factors,
+    isotope_kinetic_fractionation_factors,
     isotope_meteoric_water_line,
     isotope_ratio_evolution,
     isotope_diffusivity_ratios,

PySDM/physics/isotope_kinetic_fractionation_factors/__init__.py

@@ -0,0 +1,3 @@
+from PySDM.impl.null_physics_class import Null
+from .jouzel_and_merlivat_1984 import JouzelAndMerlivat1984
+from .pierchala_et_al_2022 import PierchalaEtAl2022

PySDM/physics/isotope_kinetic_fractionation_factors/jouzel_and_merlivat_1984.py

@@ -0,0 +1,13 @@
+"""
+kinetic fractionation factor from [Jouzel & Merlivat 1984](https://doi.org/10.1029/JD089iD07p11749)
+"""
+
+
+class JouzelAndMerlivat1984:  # pylint: disable=too-few-public-methods
+    @staticmethod
+    def alpha_kinetic(alpha_equilibrium, relative_humidity, D_heavy2D_light):
+        return (
+            alpha_equilibrium
+            * relative_humidity
+            / (alpha_equilibrium / D_heavy2D_light * (relative_humidity - 1) + 1)
+        )

PySDM/physics/isotope_kinetic_fractionation_factors/pierchala_et_al_2022.py

@@ -0,0 +1,15 @@
+"""
+kinetic fractionation factor and epsilon kinetic
+from [Pierchala et al. 2022](https://doi.org/10.1016/j.gca.2022.01.020)
+"""
+
+
+class PierchalaEtAl2022:  # pylint: disable=too-few-public-methods
+    @staticmethod
+    def alpha_kinetic(eps_kinetic):
+        return 1 - eps_kinetic
+
+    @staticmethod
+    def eps_kinetic(*, theta, n, eps_diff, relative_humidity):
+        assert 0 <= n <= 1
+        return theta * n * eps_diff * (1 - relative_humidity)

PySDM/physics/isotope_relaxation_timescale/jouzel_et_al_1975.py

@@ -1,4 +1,4 @@
-"""eq. 7 in [Jouzel et al 1975](https://doi.org/10.1029/JC080i036p05015)"""
+"""eq. 7 in [Jouzel et al. 1975](https://doi.org/10.1029/JC080i036p05015)"""
 
 
 class JouzelEtAl1975:  # pylint: disable=too-few-public-methods

PySDM/physics/isotope_relaxation_timescale/zaba_and_arabas_2025.py

@@ -6,7 +6,8 @@ def __init__(self, _):
         pass
 
     @staticmethod
-    def tau(  # pylint: disable=too-many-arguments
+    # pylint: disable=too-many-arguments
+    def tau(
         *,
         const,
         radius,

docs/bibliography.json

@@ -198,7 +198,8 @@
       "examples/PySDM_examples/Pierchala_et_al_2022/fig_3.ipynb",
       "examples/PySDM_examples/Pierchala_et_al_2022/fig_4.ipynb",
       "examples/PySDM_examples/Pierchala_et_al_2022/__init__.py",
-      "examples/PySDM_examples/Pierchala_et_al_2022/commons.py"
+      "examples/PySDM_examples/Pierchala_et_al_2022/commons.py",
+      "PySDM/physics/isotope_kinetic_fractionation_factors/pierchala_et_al_2022.py"
     ],
     "label": "Pierchala et al. 2022 (Geochim. Cosmochim. Acta 322)",
     "title": "Quantification the diffusion-induced fractionation of <sup>1</sup>H<sub>2</sub><sup>17</sup>O isotopologue in air accompanying the process of water evaporation"
@@ -550,7 +551,8 @@
   "https://doi.org/10.1029/JC084iC08p05029": {
     "usages": [
       "PySDM/physics/isotope_ratio_evolution/merlivat_and_jouzel_1979.py",
-      "tests/unit_tests/physics/test_isotope_ratio_evolution.py"
+      "tests/unit_tests/physics/test_isotope_ratio_evolution.py",
+      "PySDM/physics/isotope_kinetic_fractionation_factors/merlivat_and_jouzel_1979.py"
     ],
     "label": "Merlivat & Jouzel 1979 (J. Geophys. Res. Oceans 84)",
     "title": "Global climatic interpretation of the deuterium-oxygen 18 relationship for precipitation"
@@ -775,6 +777,13 @@
     "title": "Isotopic Composition and Temperature of Formation of Antarctic Snows",
     "label": "Picciotto et al. 1960 (Nature 187)"
   },
+  "https://doi.org/10.1029/JC080i036p05015": {
+    "usages": [
+      "PySDM/physics/isotope_relaxation_timescale/jouzel_et_al_1975.py"
+    ],
+    "title": "Isotopic study of hail",
+    "label": "Jouzel et al. 1975 (J. Geophys. Res. Oceans 80)"
+  },
   "https://doi.org/10.1016/0019-1035(80)90173-6": {
     "usages": [
       "examples/PySDM_examples/Toon_et_al_1980/fig_1.ipynb",
@@ -811,5 +820,12 @@
     ],
     "title": "The Growth of Cloud Drops in Uniformly Cooled Air",
     "label": "Howell 1949 (J. Atmos. Sci.)"
+  },
+  "https://doi.org/10.1029/JD089iD07p11749": {
+    "usages": [
+      "PySDM/physics/isotope_kinetic_fractionation_factors/jouzel_and_merlivat_1984.py"
+    ],
+    "title": "Deuterium and oxygen 18 in precipitation: Modeling of the isotopic effects during snow formation",
+    "label": "Jouzel & Merlivat 1984 (J. Geophys. Res. Atmos. 89)"
   }
 }