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217: untangling water activity from abifm docs r=amylu00 a=amylu00



Co-authored-by: amylu00 <alu3@caltech.edu>
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bors[bot] and amylu00 authored Sep 6, 2023
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39 changes: 10 additions & 29 deletions docs/src/IceNucleation.md
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Expand Up @@ -50,47 +50,28 @@ Water Activity-Based Immersion Freezing Model (ABFIM)
classical nucleation theory (CNT). More on CNT can be found in [Karthika2016](@cite).
The nucleation rate coefficient, ``J``, describes the number of ice nuclei formed per unit area
per unit time and can be determined by the water activity, ``a_w``. This parameterization follows
[KnopfAlpert2013](@cite), [Koop2002](@cite), [MurphyKoop2005](@cite), and [Luo1995](@cite). In this model,
aerosols are assumed to contain an insoluble and soluble material. When immersed in water,
the soluble material diffuses into the liquid water to create a sulphuric acid solution.
[KnopfAlpert2013](@cite). In this model, aerosols are assumed to contain an insoluble and
soluble material. When immersed in water, the soluble material diffuses into the liquid water
to create a sulphuric acid solution.

Using empirical coefficients, ``m`` and ``c``, from [KnopfAlpert2013](@cite),
the heterogeneous nucleation rate coefficient in units of ``cm^{-2}s^{-1}`` can be determined by the linear equation
the heterogeneous nucleation rate coefficient in units of ``cm^{-2}s^{-1}``
can be determined by the linear equation
```math
\begin{equation}
log_{10}J_{ABIFM} = m \Delta a_w + c
\end{equation}
```
A parameterization for ``\Delta a_w`` can be found in `Common.jl`. More information on
it can be found in the `Water Activity` section.

!!! note

Our source code for the nucleation rate coefficient returns
``J`` in base SI units.

``\Delta a_w``is the difference between the water activity of the droplet, ``a_w``, and the water activity of ice at the same temperature, ``a_{w,ice}(T)``. From [Koop2002](@cite),
```math
\begin{equation}
a_w = \frac{p_{sol}}{p_{sat}}
\end{equation}
```
```math
\begin{equation}
a_{w,ice} = \frac{p_{i,sat}}{p_{sat}}
\end{equation}
```
where ``p_{sol}`` is saturated vapor pressure of water above solution, ``p_{sat}``
is saturated vapor pressure above pure liquid water, and ``p_{i,sat}`` is saturated
vapor pressure above ice. ``p_{sol}`` is determined in mbar using a parameterization
for supercooled, binary ``H_2SO_4/H_2O`` solution from [Luo1995](@cite) which is valid for ``185K < T < 235K``:
```math
\begin{equation}
ln(p_{sol}) = 23.306 - 5.3465x + 12xw_h - 8.19xw_h^2 + \frac{1}{T}(-5814 + 928.9x - 1876.7xw_h)
\end{equation}
```
where ``x`` is the weight fraction of sulphuric acid in the droplets
(i.e. if droplets are 10% sulphuric acid by mass, ``x = 0.1``), ``w_h = 1.4408x``,
and temperature is in Kelvins.

Once ``J_{ABIFM}`` is calculated, it can be used to determine the ice production rate, ``P_{ice}``, per second via immersion freezing.
Once ``J_{ABIFM}`` is calculated, it can be used to determine the ice production rate, ``P_{ice}``,
per second via immersion freezing.
```math
\begin{equation}
P_{ice} = J_{ABIFM}A(N_{tot} - N_{ice})
Expand Down
28 changes: 22 additions & 6 deletions docs/src/WaterActivity.md
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@@ -1,10 +1,12 @@
# Water Activity

The `Common.jl` module includes
a parameterization for difference in water activity between a H2SO4
solution droplet and ice. This can be used in immersion and homogeneous
freezing parameterizations of nucleation rate coefficient, ``J``.
The parameterization is based on [Baumgartner2022](@cite), [Koop2000](@cite),
and [Luo1995](@cite).

``\Delta a_w``is the difference between the water activity of the droplet, ``a_w``,
and the water activity of ice at the same temperature, ``a_{w,ice}(T)``. When the
droplet is in equilibrium with its surroundings, ``a_w`` is equivalent to relative
humidity. Otherwise, a parameterization can be found in the `Common.jl` file and
Expand All @@ -22,7 +24,8 @@ The `Common.jl` module includes
where ``p_{sol}`` is saturated vapor pressure of water above solution, ``p_{sat}``
is saturated vapor pressure above pure liquid water, and ``p_{i,sat}`` is saturated
vapor pressure above ice. ``p_{sol}`` is determined in mbar using a parameterization
for supercooled, binary ``H_2SO_4/H_2O`` solution from [Luo1995](@cite) which is only valid for ``185K < T < 235K``:
for supercooled, binary ``H_2SO_4/H_2O`` solution from [Luo1995](@cite) which is only
valid for ``185K < T < 235K``:
```math
\begin{equation}
ln(p_{sol}) = 23.306 - 5.3465x + 12xw_h - 8.19xw_h^2 + \frac{1}{T}(-5814 + 928.9x - 1876.7xw_h)
Expand All @@ -38,7 +41,8 @@ where ``x`` is the weight fraction of sulphuric acid in the droplets
There is a need to find a parameterization for p_{sol}
at temperatures warmer than 235K for mixed phase clouds.

For now, the equation used to find water activity of a droplet at equilibrium at temperatures warmer than 235K is taken from [Baumgartner2022](@cite) equation 4:
For now, the equation used to find water activity of a droplet at equilibrium at
temperatures warmer than 235K is taken from [Baumgartner2022](@cite) equation 4:
```math
\begin{equation}
a_w = S_i \frac{p_{i,sat}(T)}{p_{sat}(T)}
Expand Down Expand Up @@ -86,11 +90,23 @@ To verify that our parameterizations for water activty using `Thermodynamics.jl`
include("water_activity_plots/Baumgartner2022_fig5.jl")
```
![](Baumgartner2022_fig5.svg)
Shown in red is the water activity over ice using our parameterization. With these two lines plotted (critical water activity of the droplet and ice water activity), we create a phase diagram. Under the red line is liquid, above the critical water activity is ice, and between the two curves is supercooled liquid.
Shown in red is the water activity over ice using our parameterization. With these two lines
plotted (critical water activity of the droplet and ice water activity), we create a phase
diagram. Under the red line is liquid, above the critical water activity is ice, and between
the two curves is supercooled liquid.

Another plot to test if our parameterization is reasonable is plotting against other parameterizations of water activity (as opposed to critical water activity) as a function of temperature. Plotted in green are various ways to compute water activity over ice. ``using p(0,T)`` refers to how the denominator, ``a_w``, is calculated. By default, this is parameterized assuming a pure liquid droplet with `Thermodynamics.jl`. ``using p(0,T)`` implies that the parameterization of vapor pressure of a solution droplet is used but setting concentration of H2SO4 to zero. ``using \mu`` refers to the parameterization used in [Koop2000](@cite) where water activity is dependent on chemical potential.
Another plot to test if our parameterization is reasonable is plotting against other parameterizations
of water activity (as opposed to critical water activity) as a function of temperature. Plotted in
green are various ways to compute water activity over ice. ``using p(0,T)`` refers to how the denominator,
``a_w``, is calculated. By default, this is parameterized assuming a pure liquid droplet with
`Thermodynamics.jl`. ``using p(0,T)`` implies that the parameterization of vapor pressure of a solution
droplet is used but setting concentration of H2SO4 to zero. ``using \mu`` refers to the parameterization
used in [Koop2000](@cite) where water activity is dependent on chemical potential.
```@example
include("water_activity_plots/T_vs_wateractivity.jl")
```
![](T_vs_wateractivity.svg)
Taking the difference between any pair of blue and green lines will give a ``\Delta a_w(T)``. Since all the blue lines are similar and all the green lines are similar, we can assume that our parameterization of pure liquid and ice water activities are reasonable.
Taking the difference between any pair of blue and green lines will give a ``\Delta a_w(T)``.
Since all the blue lines are similar and all the green lines are similar, we can
assume that our parameterization of pure liquid and ice water activities are reasonable.

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