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https://github.com/ovinc/aquasol
Python 3 package for calculating physico-chemical properties of water and aqueous solutions (e.g. surface tension, density, activity etc.)
https://github.com/ovinc/aquasol
chemistry physics solutions water
Last synced: 17 days ago
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Python 3 package for calculating physico-chemical properties of water and aqueous solutions (e.g. surface tension, density, activity etc.)
- Host: GitHub
- URL: https://github.com/ovinc/aquasol
- Owner: ovinc
- License: other
- Created: 2024-03-17T15:16:36.000Z (11 months ago)
- Default Branch: master
- Last Pushed: 2024-12-07T14:42:46.000Z (about 2 months ago)
- Last Synced: 2024-12-17T04:03:01.130Z (about 2 months ago)
- Topics: chemistry, physics, solutions, water
- Language: Python
- Homepage: https://pypi.org/project/aquasol/
- Size: 363 KB
- Stars: 1
- Watchers: 1
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.md
- License: LICENSE
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README
General information
===================
This package computes useful thermodynamic quantities for water and aqueous solutions (undersaturated, saturated and supersaturated). Is is divided in two modules: **water** (properties of pure water) and **solutions** (properties of aqueous solutions), which provide various functions to calculate properties of interest. There is also a list of useful constants in the *constants.py* module.
It is also possible to just see plots of the properties by running the package directly from a shell console with
```bash
python -m aquasol
```
The package is under CeCILL-2.1 license, which is equivalent to GNU-GPL (see license file and information below)
How to install:
```bash
pip install aquasol
```
WATER
=====
Properties
----------
The *water* module has the following functions(*), which return the respective properties of interest as a function of temperature:
- `density_sat()` for density on the liquid-vapor coexistence line (kg/m^3)
- `density_atm()` for density at ambient pressure 0.1 MPa (kg/m^3)
- `dielectric_constant()` for the dielectric constant at 0.1 MPa (-)
- `diffusivity_in_air()` for diffusivity of water vapor in air (m^2/s)
- `surface_tension()` for surface tension of pure water (N/m).
- `vapor_pressure()` for saturation vapor pressure of pure water (Pa),
- `viscosity()` for viscosity of liquid water (Pa.s)
The structure of the call for any property (replace *property* below by one of the function names above) is
```python
from aquasol.water import property
value = property(T=25, unit='C', source=None)
```
*Inputs*
- `T` (int, float, array, list, or tuple): temperature
- `unit` (str, default 'C'): 'C' for Celsius, 'K' for Kelvin
- `source` (str, default None) : Source for the used equation, if *None* then the default source for the particular property is used.
*Output*
- Property in SI units, returned as numpy array if input is not a scalar.
*Note*
- See further below for `dewpoint()`, `kelvin_pressure()`, `kelvin_humidity()`, `kelvin_radius()` and `molar_volume()`, which work a bit differently.
(*) As of aquasol 1.5, the main functions (excluding `dewpoint` etc.) are now callable objects, which act as functions but have additional attributes, see *Attributes and Methods* below.
### Examples
(See docstrings for more details)
```python
from aquasol.water import vapor_pressure, surface_tension
from aquasol.water import density_atm, density_sat
from aquasol.water import diffusivity_in_air, viscosity
vapor_pressure() # Saturation vapor pressure (Pa) at 25°C (3170 Pa)
vapor_pressure(298.15, 'K') # same thing
vapor_pressure(source='Wexler') # same thing, but according to Wexler
vapor_pressure(T=[5, 15, 25]) # psat at different temperatures in °C
surface_tension(T=[5, 15, 25]) # same, but for surface tension (N/m)
density_atm(4) # density of water at atmospheric pressure at 4°C
density_sat(277.15, 'K') # same thing, but on the coexistence line
diffusivity_in_air(27) # Diffusivity of water vapor in air at 27°C
viscosity() # Viscosity of liquid water at 25°C
dielectric_constant(T=20) # Dielectric constant at 20°C ( = 80)
```
### Attributes & Methods
The properties listed above are in fact (since version 1.5) extended functions (i.e. callable objects), with additional attributes and methods that can be useful in various contexts; below are some examples using `vapor_pressure`.
```python
from aquasol.water import vapor_pressure
vapor_pressure() # Saturation vapor pressure (Pa) at 25°C
vapor_pressure.sources # all available sources
vapor_pressure.default_source # source used by default if None is provided
vapor_pressure.get_source() # return default source
vapor_pressure.get_source('Wexler') # checks if source exists and returns it
vapor_pressure.quantity # 'saturated vapor pressure'
vapor_pressure.unit # '[Pa]'
```
It is also possible to access specific formulas (i.e. corresponding to a specific source), and get their properties.
```python
formula = vapor_pressure.get_formula('Wexler') # default formula if no arg.
formula.source # 'Wexler'
formula.temperature_range # validity range of expression
formula.temperature_unit # 'C' or 'K', varies across formulas
formula.calculate(T=300) # Return value at given T (input in temperature_unit)
```
Inverse and other property functions
------------------------------------
Based on the functions above, some inverse and other properties are also provided:
- `dewpoint()`
- `kelvin_pressure()`
- `kelvin_radius()`
- `kelvin_humidity()`
- `molar_volume()`
### Examples
(See docstrings for more details)
```python
from aquasol.water import dewpoint, kelvin_radius, kelvin_humidity
dewpoint(p=1000) # Dew point of a vapor at 1kPa
dewpoint(rh=50) # Dew point at 50%RH and 25°C (default)
dewpoint('K', 300, rh=50) # specify temperature
dewpoint(aw=[0.5, 0.7]) # It is possible to input lists, tuples, arrays
kelvin_pressure(rh=80) # (liquid) Kelvin pressure corresponding to 80%RH
kelvin_pressure(aw=[0.5, 0.7, 0.9], T=20) # at 20°C for 50%RH, 70%RH, 90%RH
kelvin_radius(aw=0.8) # Kelvin radius at 80%RH and T=25°C
kelvin_radius(rh=80, ncurv=1) # assume cylindrical meniscus instead of spherical
kelvin_humidity(r=4.7e-9) # activity corresponding to Kelvin radius of 4.7 nm at 25°C
kelvin_humidity(r=4.7e-9, out='rh') # same, but expressed in %RH instead of activity
kelvin_humidity(r=4.7e-9, ncurv=1, out='p') # cylindrical interface, output as pressure
kelvin_humidity(P=[-30e6, -50e6]) # input can also be liquid pressure
molar_volume() # molar volume of water at 25°C
molar_volume(T=30) # at 30°C
molar_volume(condition='atm') # using atmosph. density instead of sat.
```
Sources
-------
Below are the sources for water vapor pressure (1, 2, 3), density (1, 4, 5), surface tension (6), diffusivity in air (7, 8), viscosity (9)
(1) Wagner, W. & Pruß, A. *The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use.* Journal of Physical and Chemical Reference Data 31, 387–535 (2002). [*]
(2) Wexler, A. & Greenspan, L. *Vapor Pressure Equation for Water in the Range 0 to 100°C.* Journal of Research of the National Bureau of Standards - A. Physics and Chemistry 75A, 213–245 (1971).
(3) Bridgeman, O. C. & Aldrich, E. W. *Vapor Pressure Tables for Water.* Journal of Heat Transfer 86, 279–286 (1964).
(4) Pátek, J., Hrubý, J., Klomfar, J., Součková, M. & Harvey, A. H. *Reference Correlations for Thermophysical Properties of Liquid Water at 0.1MPa.* Journal of Physical and Chemical Reference Data 38, 21–29 (2009). [*]
(5) Kell, G. S. Density, thermal expansivity, and compressibility of liquid water from 0.deg. to 150.deg.. *Correlations and tables for atmospheric pressure and saturation reviewed and expressed on 1968 temperature scale.* J. Chem. Eng. Data 20, 97–105 (1975).
(6) IAPWS *Revised Release on Surface Tension of Ordinary Water Substance.* Moscow, Russia, June 2014. [*]
(7) Massman, W. J. *A review of the molecular diffusivities of H2O, CO2, CH4, CO, O3, SO2, NH3, N2O, NO, and NO2 in air, O2 and N2 near STP.* Atmospheric Environment 32, 1111-1127 (1998).
(8) Marrero, T. R. and Mason E. A., *Gaseous diffusion coeffcients.* Journal of Physics and Chemistry Reference Data 1, 3-118 (1972)
(9) Huber, M. L. et al. *New International Formulation for the Viscosity of H2O.* Journal of Physical and Chemical Reference Data 38, 101-125 (2009). [*]
(10) Archer, D. G. & Wang, P. *The Dielectric Constant of Water and Debye-Hückel Limiting Law Slopes.* Journal of Physical and Chemical Reference Data 19, 371-411 (1990).
[*] Recommended by IAPWS.
SOLUTIONS
=========
Properties
----------
The *solutions* module has the following functions(**), which return the respective properties of interest as a function of solute concentration and temperature (when available) of an aqueous solution.
- `density()` for absolute (kg / m^3) or relative density,
- `activity_coefficient()` for molal activity coefficient of solute (dimensionless)
- `water_activity()` for solvent activity (dimensionless, range 0-1),
- `surface_tension()` for absolute surface tension (N/m) or relative (normalized by that of pure water at the same temperature).
- `refractive_index()` (dimensionless)
- `electrical_conductivity()` (S/m)
- `solubility()` (output unit can be chosen)
The following functions, which are based on some of the ones above, are also defined:
- `osmotic_coefficient()`: $\phi$, calculated using `water_activity()`
- `osmotic_pressure()`: $\Pi$, calculated using `water_activity()`
- `aw_saturated()`: water activity of saturated solutions (i.e., equilibrium humidity)
- `debye_length()`: Debye length as a function of temperature and concentration
The structure of the call for any property (replace *property* below by one of the function names above) is
```python
data = property(solute='NaCl', T=25, unit='C', source=None, **concentration)
```
with an additional parameter `relative=False` where applicable.
Note that the solubility has a slightly different call:
```python
data = solubility(solute='NaCl', T=25, unit='C', source=None, out='m')
```
*Inputs*
- `solute` (str): solute name, default 'NaCl'
- `T` (float): temperature (default 25)
- `unit` (str, default 'C'): 'C' for Celsius, 'K' for Kelvin
- `source` (str, default None) : Source for the used equation, if None then
gets the default source for the particular solute (defined in submodules).
- `**concentration`: kwargs with any unit that is allowed by `convert()` (see below), e.g. `property(m=5.3)` for molality.
- when applicable: `relative` (bool, default False): True for relative density
- for solubility, the `out` parameter is the unit in which the solubility will be expressed (see `convert()` below)
*Output*
- Property in SI units, returned as numpy array if input is not a scalar.
Note: similarly to temperature, the values in `**concentration` can be an array, list or tuple, however if it's the case, temperature needs to be a scalar.
(**) As of aquasol 1.5, the main property functions (excluding `osmotic pressure` etc.) are now callable objects, which act as functions but have additional attributes, see *Attributes and Methods* below.*
### Examples
```python
from aquasol.solutions import water_activity, activity_coefficient
from aquasol.solutions import osmotic_pressure, osmotic_coefficient
from aquasol.solutions import density, surface_tension, refractive_index
from aquasol.solutions import solubility, aw_saturated
from aquasol.solutions import ionic_strength, debye_length
# Water activity (dimensionless, 'aw') ---------------------------------------
water_activity(x=0.1) # NaCl solution, mole fraction 10%, 25°C
water_activity(r=0.3) # solution when mixing 55g NaCl with 100g H2O
water_activity('LiCl', w=0.3, T=70) # LiCl solution, 30% weight fraction, 70°C
water_activity(solute='CaCl2', m=[2, 4, 6]) # for several molalities (mol/kg)
# Other ways to express water activity:
osmotic_pressure(m=5)
osmotic_coefficient(x=0.1, solute='LiCl')
# Molal activity coefficient (dimensionless, 'gamma') ------------------------
activity_coefficient(m=6.1) # ~ Saturated NaCl solution, 25°C
activity_coefficient(solute='Na2SO3', m=2.2) # Na2SO3 at 2.2 mol/kg
# Density (absolute, kg / m^3, or relative) ----------------------------------
density(source='Tang', x=0.23) # supersaturatad NaCl, 25°C, using Tang equation
density(c=5000, relative=True) # relative density of NaCl, 5 mol/L.
density('LiCl', w=[0.11, 0.22, 0.51]) # for several weight fractions of LiCl
# Surface tension (N / m) ----------------------------------------------------
surface_tension(r=0.55) # solution when mixing 55g NaCl with 100g H2O
surface_tension(c=5000, relative=True) # sigma / sigma(H2O) at 5 mol/L of NaCl
surface_tension('CaCl2', 353, 'K', c=5e3) # CaCl2, 300K, 5 mol/L
surface_tension(x=[0.02, 0.04, 0.08], T=21) # iterable mole fraction
# Refractive index -----------------------------------------------------------
refractive_index(c=4321) # concentration of 4.321 mol/L of NaCl, 25°C
refractive_index('KCl', T=22, r=[0.1, 0.175]) # various mass ratios of KCl
# Electrical conductivity ----------------------------------------------------
electrical_conductivity('KCl', m=0.1) # molality of 0.1 mol/L of KCl, 25°C
electrical_conductivity('KCl', T=50, x=[0.01, 0.02]) # various mole fractions
electrical_conductivity('KCl', T=[0, 25, 50], m=1) # various mole fractions
# Solubility -----------------------------------------------------------------
solubility() # NaCl at 25°C
solubility(T=10) # NaCl at 10°C
solubility('KCl') # KCl, 25°C
solubility('Na2SO4,10H20', T=10) # Mirabilite at T=10°C
# Other ways to express solubility:
aw_saturated() # Activity of saturated NaCl solution = 0.753
aw_saturated('LiCl') # etc.
# Debye length and ionic strength
debye_length('Na2SO4', c=100) # sodium sulfate at 100mM
ionic_strength('KCl', m=2) # molal ionic strength
```
### Attributes & Methods
Similarly to the `water` module, the properties listed above are in fact (since version 1.5) extended functions (i.e. callable objects), with additional attributes and methods that can be useful in various contexts; below are some examples using `density`.
```python
from aquasol.solutions import density
density(m=6) # Density of an NaCl solution at 6 mol/kg
density.quantity # 'density'
density.unit # # '[kg/m^3]'
density.solutes # All solutes available for the given property
density.default_solute # solute used by default if None provided
density.get_solute() # get solute or defautl solute, see docstring
density.sources # Dictionary of sources available for each solute
density.default_sources # Dict of sources used by default if None provided
density.get_source() # get source or default source, see docstring
```
It is also possible to access specific formulas (i.e. corresponding to a specific source and solute), and get their properties.
```python
formula = density.get_formula(solute='KCl', source='Krumgalz')
formula.source # 'Krumgalz'
formula.temperature_range # validity range of expression in temperature
formula.temperature_unit # 'C' or 'K', varies across formulas
formula.solute # solute of interest
formula.concentration_range # validity range of expression in concentration
formula.concentration_unit # 'm' 'w', 'x', etc., varies across formulas
formula.with_water_reference # if true, returns a tuple with value at c=0 and value at c
formula.calculate(m=2.2) # Value at given concentration (in concentration_unit)
```
Inverse property functions
--------------------------
The `aw_to_conc` calculates what concentration of solute is necessary to reach a specific water activity:
```python
aw_to_conc(a, out='w', solute='NaCl', T=25, unit='C', source=None):
```
For example:
```python
aw_to_conc(0.8) # weight fraction of NaCl to have a humidity of 80%RH
aw_to_conc([0.6, 0.85], out='m') # molality of NaCl to get 60%RH and 85%RH
aw_to_conc(0.33, 'r', 'LiCl', T=50) # in terms of mass ratio, for LiCl at 50°C
```
Other functions
---------------
The *solutions* module also has a function to convert between concentration units:
```python
value_out = convert(value, unit_in, unit_out, solute='NaCl', density_source=None)
```
where unit_in and unit_out can be in the following list:
- *'m'* (molality, mol/kg)
- *'c'* (molarity, mol/m^3)
- *'x'* (mole fraction)
- *'w'* (weight fraction)
- *'r'* (ratio solute mass to solvent mass).
By default, solute is `'NaCl'`. When converting to/from molarity, one must also use a formula to calculate the density of the solution. It's possible to specify a formula different than the default one by providing an argument to the `density_source` argument.
**NOTE**: In case of issues such as `ValueError: Requested values higher than the higher limit of the image`, try playing with the `density_wmin` and `density_wmax` parameters in `convert()`.
One can access more elaborate quantities with the following functions:
```python
Iy = ionic_strength(solute, **concentration)
```
for ionic strength, which can be expressed in terms of molarity, molality or mole fraction. Which version is chosen among these three possibilities depend on the input parameters, e.g. *m=5.3* for molality, *x=0.08* for mole fraction, *c=5000* for molarity.
```python
y1, y2 = ion_quantities(solute, **concentration)
```
which calculate quantities of individual ions within the solution instead of considering the solute as a whole. Similarly, the result depends on the input unit, which can also be only among `m`, `c` or `x`.
*See docstrings for more details.*
Available Solutes
-----------------
Sorted by alphabetical order. When available, the sources are written in parentheses. For convert, an X means available.
| Solute | Water Activity | Activity Coeff. | Density | Surface Tension | Refr. Index | Elec. Conduct. | Solubility | Convert (*) |
|:------:|:--------------:|:---------------:|:-----------------:|:---------------:|:-----------:|:--------------:|:----------:|:-----------:|
| CaCl2 | (1) | | (1,3,14) | (1,6) | (7) | | | X |
| KCl | (8,13) | (8,13) | (3,14,21) | (6) | (7,21) | (9) | (13) | X |
| KI | | | (3,14) | | | | | X |
| LiBr | (19,20) | (20) | | | | | (18) | - |
| LiCl | (1,19,20) | (20) | (1,14) | (1) | | | (17) | X |
| MgCl2 | | | (3,14) | (6) | | | | X |
| Na2SO4 | (2,12,13) | (12,13) | (10,14,15) | (6) | (21) | | (13) | X |
| NaCl | (2,8,12,13,20) | (8,12,13,20) | (3,4,5,11,14,15) | (6,11) | (7,21) | | (13,16,17) | X |
(*) Solutes with no density data cannot use conversion to/from molarity ('c') but all other conversions work. They are noted with - instead of X.
Sources
-------
(1) Conde, M. R., *Properties of aqueous solutions of lithium and calcium chlorides: formulations for use in air conditioning equipment design.*
International Journal of Thermal Sciences 43, 367–382 (2004).
(2) Clegg, S. L., Brimblecombe, P., Liang, Z. & Chan, C. K., *Thermodynamic Properties of Aqueous Aerosols to High Supersaturation: II — A Model of the System Na+ Cl− NO3- SO42- H2O at 298.15 K.* Aerosol Science and Technology 27, 345–366 (1997).
(3) Al Ghafri, S., Maitland, G. C. & Trusler, J. P. M., *Densities of Aqueous MgCl 2 (aq), CaCl 2 (aq), KI(aq), NaCl(aq), KCl(aq), AlCl 3 (aq), and (0.964 NaCl + 0.136 KCl)(aq) at Temperatures Between (283 and 472) K, Pressures up to 68.5 MPa, and Molalities up to 6 mol·kg –1.* Journal of Chemical & Engineering Data 57, 1288–1304 (2012).
(4) Tang, I. N., *Chemical and size effects of hygroscopic aerosols on light scattering coefficients.* Journal of Geophysical Research: Atmospheres 101, 19245–19250 (1996).
(5) Simion, A. I., Grigoras, C., Rosu, A.-M. & Gavrilă, L. *Mathematical modelling of density and viscosity of NaCl aqueous solutions.* Journal of Agroalimentary Processing and Technologies 21, 41–52 (2015).
(6) Dutcher, C. S., Wexler, A. S. & Clegg, S. L. *Surface Tensions of Inorganic Multicomponent Aqueous Electrolyte Solutions and Melts.* J. Phys. Chem. A 114, 12216–12230 (2010).
(7) Tan, C.-Y. & Huang, Y.-X. *Dependence of Refractive Index on Concentration and Temperature in Electrolyte Solution, Polar Solution, Nonpolar Solution, and Protein Solution.* J. Chem. Eng. Data 60, 2827–2833 (2015).
(8) Tang, I. N., Munkelwitz, H. R. & Wang, N. *Water activity measurements with single suspended droplets: The NaCl-H2O and KCl-H2O systems.* Journal of Colloid and Interface Science 114, 409–415 (1986).
(9) McKee, C. B., *An Accurate Equation for the Electrolytic Conductivity of Potassium Chloride Solutions*. J Solution Chem 38, 1155-1172 (2009).
(10) Tang, I. N. & Munkelwitz, H. R., *Simultaneous Determination of Refractive Index and Density of an Evaporating Aqueous Solution Droplet*. Aerosol Science and Technology 15, 201–207 (1991).
(11) Talreja-Muthreja, T., Linnow, K., Enke, D. & Steiger. *M. Deliquescence of NaCl Confined in Nanoporous Silica*. Langmuir 38, 10963-10974 (2022).
(12) Steiger, M., *Crystal growth in porous materials—I: The crystallization pressure of large crystals.* Journal of Crystal Growth 282, 455-469 (2005).
(13) Steiger, M., Kiekbusch, J. & Nicolai, *An improved model incorporating Pitzer's equations for calculation of thermodynamic properties of pore solutions implemented into an efficient program code.* Construction and Building Materials 22, 1841-1850 (2008).
(14) Krumgalz, B. S., Pogorelsky, R. & Pitzer, K. S., *Volumetric Properties of Single Aqueous Electrolytes from Zero to Saturation Concentration at 298.15 K Represented by Pitzer's Ion-Interaction Equations.* Journal of Physical and Chemical Reference Data 25, 663-689 (1996).
(15) Clegg, S. L. & Wexler, A. S., *Densities and Apparent Molar Volumes of Atmospherically Important Electrolyte Solutions. 1. The Solutes H2SO4, HNO3, HCl, Na2SO4, NaNO3, NaCl, (NH4)2SO4, NH4NO3, and NH4Cl from 0 to 50°C, Including Extrapolations to Very Low Temperature and to the Pure Liquid State, and NaHSO4, NaOH, and NH3 at 25°C.* J. Phys. Chem. A 115, 3393-3460 (2011).
(16) Sparrow, B. S., *Empirical equations for the thermodynamic properties of aqueous sodium chloride*. Desalination 159, 161-170 (2003).
(17) CRC Handbook of Chemistry and Physics: A Ready-Reference Book of Chemical and Physical Data. (CRC Press, Boca Raton London New York, 2023).
(18) Duvall, K. N., Dirksen, J. A. & Ring, T. A. *Ostwald-Meyers Metastable Region in LiBr Crystallization—Comparison of Measurements with Predictions.* Journal of Colloid and Interface Science 239, 391-398 (2001).
(19) Patil, K. R., Tripathi, A. D., Pathak, G. & Katti, S. S. *Thermodynamic Properties of Aqueous Electrolyte Solutions. 1. Vapor Pressure of Aqueous Solutions of LiCI, LiBr, and LiI.* J. Chem. Eng. Data 35, 166-168 (1990)
(20) Pitzer, K. S. & Mayorga, G., *Thermodynamics of electrolytes. II. Activity and osmotic coefficients for strong electrolytes with one or both ions univalent.* J. Phys. Chem. 77, 2300-2308 (1973).
(21) Tang, I. N., *Thermodynamic and optical properties of mixed-salt aerosols of atmospheric importance*. Journal of Geophysical Research 102, 1883-1893 (1997).
Constants
=========
The *constants.py* file includes useful values including critical point data, molecular weights of species, dissociation numbers etc. Use the function `molar_mass` to get the molar mass (in kg/mol) of a specific solute from the available solutes, e.g.:
```python
from aquasol.constants import Mw # molar mass of water (kg/mol)
from aquasol.constants import molar_mass # molar mass of specific solute
from aquasol.constants import get_solute # returns solute object with info
Na2SO4 = get_solute('Na2SO4')
molar_mass('Na2SO4') # 0.142 kg/mol
Na2SO4.molar_mass # same
Na2SO4.molecular_weight # same but in Daltons (142)
z_m, z_x = Na2SO4.charges # (1, -2) for Na(1+), SO4(2-)
nu_m, nu_x = Na2SO4.stoichiometry # (2, 1) for Na(2) SO4(1)
```
Shortcut functions
==================
For rapid calculations without much typing, the following shortcuts are provided:
| original function | shortcut |
|:-----------------------------:|:--------:|
| `water.vapor_pressure()` | `ps()` |
| `water.dewpoint()` | `dp()` |
| `water.kelvin_pressure()` | `kp()` |
| `water.kelvin_radius()` | `kr()` |
| `water.kelvin_humidity()` | `kh()` |
| `water.molar_volume()` | `vm()` |
| `solutions.water_activity()` | `aw()` |
| `solutions.aw_to_conc()` | `ac()` |
| `solutions.convert()` | `cv()` |
For example, the two following imports are equivalent:
```python
from aquasol.solutions import water_activity as aw
from aquasol import aw
```
Information
===========
Package requirements
--------------------
- numpy
- pynverse
- [optional] matplotlib (only if running the package directly as a main file to plot the properties)
Python requirements
-------------------
Python : >= 3.6
Author
------
Olivier Vincent
Contributors
------------
Marine Poizat (2019), Léo Martin (2020), Hugo Bellezza (2023)
License
-------
CeCILL v.2.1 (equivalent to GNU GPL, see https://cecill.info/)
See LICENSE file.
Copyright Olivier Vincent (2020-2024)
([email protected])
This software is a computer program whose purpose is to provide the
properties of water and aqueous solutions as a function of temperature
and/or concentration (along with other useful tools).
This software is governed by the CeCILL license under French law and
abiding by the rules of distribution of free software. You can use,
modify and/ or redistribute the software under the terms of the CeCILL
license as circulated by CEA, CNRS and INRIA at the following URL
"http://www.cecill.info".
As a counterpart to the access to the source code and rights to copy,
modify and redistribute granted by the license, users are provided only
with a limited warranty and the software's author, the holder of the
economic rights, and the successive licensors have only limited
liability.
In this respect, the user's attention is drawn to the risks associated
with loading, using, modifying and/or developing or reproducing the
software by the user in light of its specific status of free software,
that may mean that it is complicated to manipulate, and that also
therefore means that it is reserved for developers and experienced
professionals having in-depth computer knowledge. Users are therefore
encouraged to load and test the software's suitability as regards their
requirements in conditions enabling the security of their systems and/or
data to be ensured and, more generally, to use and operate it in the
same conditions as regards security.
The fact that you are presently reading this means that you have had
knowledge of the CeCILL license and that you accept its terms.