Python/conversions/molecular_chemistry.py
Christian Clauss cecf43d648
Pyupgrade to Python 3.9 (#4718)
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2021-09-07 13:37:03 +02:00

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Python

"""
Functions useful for doing molecular chemistry:
* molarity_to_normality
* moles_to_pressure
* moles_to_volume
* pressure_and_volume_to_temperature
"""
def molarity_to_normality(nfactor: int, moles: float, volume: float) -> float:
"""
Convert molarity to normality.
Volume is taken in litres.
Wikipedia reference: https://en.wikipedia.org/wiki/Equivalent_concentration
Wikipedia reference: https://en.wikipedia.org/wiki/Molar_concentration
>>> molarity_to_normality(2, 3.1, 0.31)
20
>>> molarity_to_normality(4, 11.4, 5.7)
8
"""
return round(float(moles / volume) * nfactor)
def moles_to_pressure(volume: float, moles: float, temperature: float) -> float:
"""
Convert moles to pressure.
Ideal gas laws are used.
Temperature is taken in kelvin.
Volume is taken in litres.
Pressure has atm as SI unit.
Wikipedia reference: https://en.wikipedia.org/wiki/Gas_laws
Wikipedia reference: https://en.wikipedia.org/wiki/Pressure
Wikipedia reference: https://en.wikipedia.org/wiki/Temperature
>>> moles_to_pressure(0.82, 3, 300)
90
>>> moles_to_pressure(8.2, 5, 200)
10
"""
return round(float((moles * 0.0821 * temperature) / (volume)))
def moles_to_volume(pressure: float, moles: float, temperature: float) -> float:
"""
Convert moles to volume.
Ideal gas laws are used.
Temperature is taken in kelvin.
Volume is taken in litres.
Pressure has atm as SI unit.
Wikipedia reference: https://en.wikipedia.org/wiki/Gas_laws
Wikipedia reference: https://en.wikipedia.org/wiki/Pressure
Wikipedia reference: https://en.wikipedia.org/wiki/Temperature
>>> moles_to_volume(0.82, 3, 300)
90
>>> moles_to_volume(8.2, 5, 200)
10
"""
return round(float((moles * 0.0821 * temperature) / (pressure)))
def pressure_and_volume_to_temperature(
pressure: float, moles: float, volume: float
) -> float:
"""
Convert pressure and volume to temperature.
Ideal gas laws are used.
Temperature is taken in kelvin.
Volume is taken in litres.
Pressure has atm as SI unit.
Wikipedia reference: https://en.wikipedia.org/wiki/Gas_laws
Wikipedia reference: https://en.wikipedia.org/wiki/Pressure
Wikipedia reference: https://en.wikipedia.org/wiki/Temperature
>>> pressure_and_volume_to_temperature(0.82, 1, 2)
20
>>> pressure_and_volume_to_temperature(8.2, 5, 3)
60
"""
return round(float((pressure * volume) / (0.0821 * moles)))
if __name__ == "__main__":
import doctest
doctest.testmod()