53 lines
1.2 KiB
Markdown
53 lines
1.2 KiB
Markdown
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# Sulfur Oxygen Equilibrium
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This example shows equilibrium calculations for sulfur/oxygen mixtures.
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```python
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import gaspype as gp
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import numpy as np
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import matplotlib.pyplot as plt
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```
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List possible sulfur/oxygen species:
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```python
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gp.species(element_names = 'S, O')
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```
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Or more specific by using regular expressions:
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```python
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gp.species('S?[2-3]?O?[2-5]?', use_regex=True)
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```
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Calculation of the molar equilibrium fractions for sulfur and oxygen depending on the oxygen to sulfur ratio:
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```python
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fs = gp.fluid_system(['S2', 'S2O', 'SO2', 'SO3', 'O2'])
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oxygen_ratio = np.linspace(0.5, 3, num=128)
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el = gp.elements({'S': 1}, fs) + oxygen_ratio * gp.elements({'O': 1}, fs)
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composition = gp.equilibrium(el, 800+273.15, 1e4)
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plt.plot(oxygen_ratio, composition.get_x())
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plt.legend(composition.species)
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```
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Calculation of the molar equilibrium fractions for sulfur and oxygen depending on temperature in °C:
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```python
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fs = gp.fluid_system(['S2', 'S2O', 'SO2', 'SO3', 'O2'])
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el = gp.elements({'S': 1, 'O':2.5}, fs)
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t_range = np.linspace(500, 1300, num=32)
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composition = gp.equilibrium(el, t_range+273.15, 1e4)
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plt.plot(t_range, composition.get_x())
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plt.legend(composition.species)
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```
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