https://github.com/mordy-python/chemyst
Chemistry Library for python
https://github.com/mordy-python/chemyst
Last synced: 4 months ago
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Chemistry Library for python
- Host: GitHub
- URL: https://github.com/mordy-python/chemyst
- Owner: mordy-python
- License: mit
- Created: 2021-04-08T15:19:00.000Z (about 5 years ago)
- Default Branch: master
- Last Pushed: 2021-05-11T13:38:29.000Z (about 5 years ago)
- Last Synced: 2025-11-01T18:16:06.269Z (6 months ago)
- Language: Python
- Size: 37.1 KB
- Stars: 7
- Watchers: 1
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# The Chemyst library
To install chemyst run ```pip install chemyst```
## Usage For P_total
```python
# gas_laws stands for Pressure, Volume, Number of Moles, R is the ideal gas law constant, T is temperature
from chemyst.gas_laws import P_total
# Mixture of 3 gases lets say
total_pressure = P_total([9.987, 2.33, 123.9])
print(total_pressure)
# OUTPUT: 136.217
```
Args:
- pressure is the only argument to P_total
- It is a list of the partial pressure of all the gases in a mixture
## Usage For partial_pressure
```python
from chemyst.gas_laws import partial_pressure
# Args: num_moles, ideal_gas_law, temp, volume, is_temp_kelvin=True
pressureO2 = partial_pressure(2, 'atm', 31, 15.0, False)
print(pressureO2)
# OUTPUT: 13.2
```
Args:
- num_of_moles is the number of moles of the given gas
- ideal_gas_law is the ideal gas law constant to use for the given pressure unit
- if the pressure unit is atm
- ideal_gas_law should be 'atm'
- if the pressure unit is kpa
- ideal_gas_law should be 'kpa'
- if the pressure unit is mmHg
- ideal_gas_law should be 'mmhg'
- temp is the given temperature can be either Celsius or Kelvin
- volume is the volume of the container
- is_temp_kelvin determines whether the temperature should be converter to Kelvin or not
- if the temperature is in celsius is_temp_kelvin should equal false
## Usage For the conversions module
```python
from chemyst.conversions import moles_to_mass, mass_to_moles, atoms_to_grams, grams_to_atoms, ml_to_l, l_to_ml
# Moles to mass OUTPUT: 512g
moles_to_mass(16, 32)
# Mass to moles OUTPUT: 16.0
mass_to_moles(512, 32)
# Atoms to grams OUTPUT: 7.18e20
atoms_to_grams(1352, 32)
# Grams to atoms OUTPUT: 1.88e24
grams_to_atoms(100, 32)
# Mililiters to liters OUTPUT: 1 liter
ml_to_l(1000)
# Liters to mililiters OUTPUT: 1000ml
l_to_ml(1)
```
Args:
- moles_to_mass(num_moles, molar_mass)
- num_moles is the number of moles to be converted to grams
- molar_mass is the mass of the element in grams
- for example O2 would have a molar mass of 32
- mass_to_moles(g_of_element, molar_mass)
- g_of_element is the amount of grams which will be converted to moles
- molar_mass is the mass of the element in grams
- atoms_to_grams(num_atoms, molar_mass)
- num_atoms is the number of atoms to be converted to grams
- molar_mass is the mass of the element in grams
- grams_to_atoms(g_of_element, molar_mass)
- g_of_element is the amount of grams which will be converted to moles
- molar_mass is the mass of the element in grams
- ml_to_l(ml)
- ml is the number of mililiters to convert into liters
- l_to_ml(l)
- l is the number of liters to convert into mililiters
## Usage for the molar module
### Molar and finding the moles
The molar module gives the Molar amount (M) from the moles and volume of a solution
```python
from chemyst.molar import molar, find_moles
# Find the Molar amount of 3 moles of sugar in 5 liters of water
molar(3, 5) # OUTPUT: 0.6M
# Find the number of moles of sugar with the Volume and Moles of the same siolution
find_moles(0.6, 5) # OUTPUT: 3 Moles Sugar
```
## Usage For the yields module
### Theoretical yield
The yields module is slightly different than the others
the theoretical_yield() function takes 3 arguments:
- actual_yield
- the yield given in the equation
- mole_ratio_top which is
- From the balanced equation given, the number of moles of the wanted element
- mole_ratio_bottom which likewise is
- From the balanced equation given, the number of moles of the given element
IMPORTANT: the theoretical_yield() function arguments MUST all be moles
this can be easily achieved by using the ```moles_to_mass``` and ```mass_to_moles``` functions of ```chemyst.conversions```
### Percent Yield
the percent yield() function take 2 arguments
- actual_yield
- yield given in the equation
- theoretical_yield
- this yield can be calculated using the theoretical_yield() function
IMPORTANT: the percent_yield() function arguments MUST all be grams
this can be easily achieved by using the ```moles_to_mass``` and ```mass_to_moles``` functions of ```chemyst.conversions```