line breaks adjusted in readme
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README.md
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README.md
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@ -62,7 +62,8 @@ fl.get_density(t=t_range, p=1e5)
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```
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array([0.10122906, 0.09574625, 0.09082685, 0.08638827, 0.08236328])
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```
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A ```fluid``` object can have multiple compositions. A multidimensional ```fluid``` object can be created for example by multiplication with a numpy array:
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A ```fluid``` object can have multiple compositions. A multidimensional ```fluid``` object
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can be created for example by multiplication with a numpy array:
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``` python
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fl2 = gp.fluid({'H2O': 1, 'N2': 2}) + \
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@ -125,7 +126,8 @@ array([[[0. , 0.5 , 0.5 ],
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```
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### Elements
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In some cases not the molecular but the atomic composition is of interest. The ```elements``` class can be used for atom based balances and works similar:
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In some cases not the molecular but the atomic composition is of interest.
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The ```elements``` class can be used for atom based balances and works similar:
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``` python
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el = gp.elements({'N': 1, 'Cl': 2})
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@ -134,7 +136,9 @@ el.get_mass()
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```
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np.float64(0.08490700000000001)
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```
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A ```elements``` object can be as well instantiated from a ```fluid``` object. Arithmetic operations between ```elements``` and ```fluid``` result in an ```elements``` object:
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A ```elements``` object can be as well instantiated from a ```fluid``` object.
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Arithmetic operations between ```elements``` and ```fluid``` result in
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an ```elements``` object:
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``` python
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el2 = gp.elements(fl) + el - 0.3 * fl
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el2
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@ -146,7 +150,8 @@ N 1.000e+00 mol
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O 7.000e-01 mol
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```
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Going from an atomic composition to an molecular composition is a little bit less straight forward, since there is no universal approach. One way is to calculate the thermodynamic equilibrium for a mixture:
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Going from an atomic composition to an molecular composition is possible as well.
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One way is to calculate the thermodynamic equilibrium for a mixture:
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``` python
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fs = gp.fluid_system('CH4, H2, CO, CO2, O2')
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@ -163,7 +168,13 @@ CO2 33.07 %
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O2 0.00 %
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```
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The ```equilibrium``` function can be called with a ```fluid``` or ```elements``` object as first argument. ```fluid``` and ```elements``` referencing a ```fluid_system``` object witch can be be set as shown above during the object instantiation. If not provided, a new one will be created automatically. Providing a ```fluid_system``` gives more control over which molecular species are included in derived ```fluid``` objects. Furthermore arithmetic operations between objects with the same ```fluid_system``` are potentially faster:
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The ```equilibrium``` function can be called with a ```fluid``` or ```elements``` object
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as first argument. ```fluid``` and ```elements``` referencing a ```fluid_system``` object
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witch can be be set as shown above during the object instantiation. If not provided,
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a new one will be created automatically. Providing a ```fluid_system``` gives more
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control over which molecular species are included in derived ```fluid``` objects.
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Furthermore arithmetic operations between objects with the same ```fluid_system```
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are potentially faster:
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``` python
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fl3 + gp.fluid({'CH4': 1}, fs)
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@ -177,7 +188,9 @@ CO2 18.07 %
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O2 0.00 %
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```
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Especially if the ```fluid_system``` of one of the operants has not a subset of molecular species of the other ```fluid_system``` a new ```fluid_system``` will be created for the operation which might degrade performance:
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Especially if the ```fluid_system``` of one of the operants has not a subset of
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molecular species of the other ```fluid_system``` a new ```fluid_system``` will
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be created for the operation which might degrade performance:
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``` python
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fl3 + gp.fluid({'NH3': 1})
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