|
| 1 | +""" |
| 2 | +The root-mean-square, average and most probable speeds of gas molecules are |
| 3 | +derived from the Maxwell-Boltzmann distribution. The Maxwell-Boltzmann |
| 4 | +distribution is a probability distribution that describes the distribution of |
| 5 | +speeds of particles in an ideal gas. |
| 6 | +
|
| 7 | +The distribution is given by the following equation: |
| 8 | +
|
| 9 | + ------------------------------------------------- |
| 10 | + | f(v) = (M/2πRT)^(3/2) * 4πv^2 * e^(-Mv^2/2RT) | |
| 11 | + ------------------------------------------------- |
| 12 | +
|
| 13 | +where: |
| 14 | + f(v) is the fraction of molecules with a speed v |
| 15 | + M is the molar mass of the gas in kg/mol |
| 16 | + R is the gas constant |
| 17 | + T is the absolute temperature |
| 18 | +
|
| 19 | +More information about the Maxwell-Boltzmann distribution can be found here: |
| 20 | +https://en.wikipedia.org/wiki/Maxwell%E2%80%93Boltzmann_distribution |
| 21 | +
|
| 22 | +The average speed can be calculated by integrating the Maxwell-Boltzmann distribution |
| 23 | +from 0 to infinity and dividing by the total number of molecules. The result is: |
| 24 | +
|
| 25 | + --------------------- |
| 26 | + | vavg = √(8RT/πM) | |
| 27 | + --------------------- |
| 28 | +
|
| 29 | +The most probable speed is the speed at which the Maxwell-Boltzmann distribution |
| 30 | +is at its maximum. This can be found by differentiating the Maxwell-Boltzmann |
| 31 | +distribution with respect to v and setting the result equal to zero. The result is: |
| 32 | +
|
| 33 | + --------------------- |
| 34 | + | vmp = √(2RT/M) | |
| 35 | + --------------------- |
| 36 | +
|
| 37 | +The root-mean-square speed is another measure of the average speed |
| 38 | +of the molecules in a gas. It is calculated by taking the square root |
| 39 | +of the average of the squares of the speeds of the molecules. The result is: |
| 40 | +
|
| 41 | + --------------------- |
| 42 | + | vrms = √(3RT/M) | |
| 43 | + --------------------- |
| 44 | +
|
| 45 | +Here we have defined functions to calculate the average and |
| 46 | +most probable speeds of molecules in a gas given the |
| 47 | +temperature and molar mass of the gas. |
| 48 | +""" |
| 49 | + |
| 50 | +# import the constants R and pi from the scipy.constants library |
| 51 | +from scipy.constants import R, pi |
| 52 | + |
| 53 | + |
| 54 | +def avg_speed_of_molecule(temperature: float, molar_mass: float) -> float: |
| 55 | + """ |
| 56 | + Takes the temperature (in K) and molar mass (in kg/mol) of a gas |
| 57 | + and returns the average speed of a molecule in the gas (in m/s). |
| 58 | +
|
| 59 | + Examples: |
| 60 | + >>> avg_speed_of_molecule(273, 0.028) # nitrogen at 273 K |
| 61 | + 454.3488755020387 |
| 62 | + >>> avg_speed_of_molecule(300, 0.032) # oxygen at 300 K |
| 63 | + 445.52572733919885 |
| 64 | + >>> avg_speed_of_molecule(-273, 0.028) # invalid temperature |
| 65 | + Traceback (most recent call last): |
| 66 | + ... |
| 67 | + Exception: Absolute temperature cannot be less than 0 K |
| 68 | + >>> avg_speed_of_molecule(273, 0) # invalid molar mass |
| 69 | + Traceback (most recent call last): |
| 70 | + ... |
| 71 | + Exception: Molar mass should be greater than 0 kg/mol |
| 72 | + """ |
| 73 | + |
| 74 | + if temperature < 0: |
| 75 | + raise Exception("Absolute temperature cannot be less than 0 K") |
| 76 | + if molar_mass <= 0: |
| 77 | + raise Exception("Molar mass should be greater than 0 kg/mol") |
| 78 | + return (8 * R * temperature / (pi * molar_mass)) ** 0.5 |
| 79 | + |
| 80 | + |
| 81 | +def mps_speed_of_molecule(temperature: float, molar_mass: float) -> float: |
| 82 | + """ |
| 83 | + Takes the temperature (in K) and molar mass (in kg/mol) of a gas |
| 84 | + and returns the most probable speed of a molecule in the gas (in m/s). |
| 85 | +
|
| 86 | + Examples: |
| 87 | + >>> mps_speed_of_molecule(273, 0.028) # nitrogen at 273 K |
| 88 | + 402.65620701908966 |
| 89 | + >>> mps_speed_of_molecule(300, 0.032) # oxygen at 300 K |
| 90 | + 394.836895549922 |
| 91 | + >>> mps_speed_of_molecule(-273, 0.028) # invalid temperature |
| 92 | + Traceback (most recent call last): |
| 93 | + ... |
| 94 | + Exception: Absolute temperature cannot be less than 0 K |
| 95 | + >>> mps_speed_of_molecule(273, 0) # invalid molar mass |
| 96 | + Traceback (most recent call last): |
| 97 | + ... |
| 98 | + Exception: Molar mass should be greater than 0 kg/mol |
| 99 | + """ |
| 100 | + |
| 101 | + if temperature < 0: |
| 102 | + raise Exception("Absolute temperature cannot be less than 0 K") |
| 103 | + if molar_mass <= 0: |
| 104 | + raise Exception("Molar mass should be greater than 0 kg/mol") |
| 105 | + return (2 * R * temperature / molar_mass) ** 0.5 |
| 106 | + |
| 107 | + |
| 108 | +if __name__ == "__main__": |
| 109 | + import doctest |
| 110 | + |
| 111 | + doctest.testmod() |
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